T25 >> 1462696025.56413388 Initialization (0.00001s) started
T25 >> 1462696029.51506996 Set symmetry (0.00000s) started
T25 << 1462696029.52103209 Set symmetry (0.00596s) stopped
T25 >> 1462696029.53392506 TCI: Evaluate splines (0.00000s) started
T25 << 1462696033.54996991 TCI: Evaluate splines (4.01605s) stopped
T25 >> 1462696033.61533403 initialize (0.00000s) started
T25 << 1462696033.65096688 initialize (0.03563s) stopped
T25 >> 1462696033.72612095 Basic WFS set positions (0.00000s) started
T25 << 1462696033.80609703 Basic WFS set positions (0.07998s) stopped
T25 >> 1462696033.80612397 Basis functions set positions (0.00000s) started
T25 << 1462696035.50187397 Basis functions set positions (1.69575s) stopped
T25 >> 1462696035.50375104 TCI: Calculate S, T, P (0.00000s) started
T25 << 1462696057.74611092 TCI: Calculate S, T, P (22.24236s) stopped
T25 >> 1462696057.74638391 blocked summation (0.00000s) started
T25 << 1462696069.27188396 blocked summation (11.52550s) stopped
T25 >> 1462696069.28159189 Scalapack redistribute (0.00000s) started
T25 << 1462696069.37644100 Scalapack redistribute (0.09485s) stopped
T25 >> 1462696069.37738109 blocked summation (11.52558s) started
T25 << 1462696070.57273293 blocked summation (12.72093s) stopped
T25 >> 1462696070.58264709 Scalapack redistribute (0.09492s) started
T25 << 1462696070.72530293 Scalapack redistribute (0.23757s) stopped
T25 >> 1462696072.47347093 LCAO WFS Initialize (0.00000s) started
T25 >> 1462696073.49021792 Hamiltonian (0.00000s) started
T25 >> 1462696073.49025297 Initialize Hamiltonian (0.00000s) started
T25 << 1462696073.51536703 Initialize Hamiltonian (0.02512s) stopped
T25 >> 1462696073.51540399 vbar (0.00000s) started
T25 << 1462696073.54138994 vbar (0.02599s) stopped
T25 >> 1462696073.54150295 XC 3D grid (0.00000s) started
T25 >> 1462696074.03771901 van der Waals (0.00001s) started
T25 >> 1462696074.17098188 semilocal (0.00001s) started
T25 << 1462696080.47227001 semilocal (6.30130s) stopped
T25 >> 1462696080.53362393 redistribute (0.00001s) started
T25 << 1462696081.43385291 redistribute (0.90023s) stopped
T25 >> 1462696081.43389392 libvdwxc nonlocal (0.00000s) started
T25 << 1462696099.89180708 libvdwxc nonlocal (18.45791s) stopped
T25 >> 1462696099.89184809 redistribute (0.90026s) started
T25 << 1462696101.62533092 redistribute (2.63375s) stopped
T25 << 1462696101.62730193 van der Waals (27.58960s) stopped
T25 << 1462696102.11003590 XC 3D grid (28.56853s) stopped
T25 >> 1462696102.11007810 Poisson (0.00000s) started
T25 << 1462696135.76841593 Poisson (33.65834s) stopped
T25 >> 1462696135.76847696 Hartree integrate/restrict (0.00000s) started
T25 << 1462696135.81527901 Hartree integrate/restrict (0.04680s) stopped
T25 >> 1462696135.81533289 Hartree integrate/restrict (0.04684s) started
T25 << 1462696136.21639299 Hartree integrate/restrict (0.44790s) stopped
T25 >> 1462696136.33305502 Atomic (0.00000s) started
T25 >> 1462696136.34224010 XC Correction (0.00000s) started
T25 << 1462696141.78907204 XC Correction (5.44684s) stopped
T25 << 1462696143.95321989 Atomic (7.62017s) stopped
T25 >> 1462696143.95330811 Communicate (0.00000s) started
T25 << 1462696145.84399390 Communicate (1.89069s) stopped
T25 << 1462696145.84402204 Hamiltonian (72.35381s) stopped
T25 << 1462696145.84405494 LCAO WFS Initialize (73.37059s) stopped
T25 << 1462696145.85576200 Initialization (120.29164s) stopped
T25 >> 1462696145.87980795 SCF-cycle (0.00000s) started
T25 >> 1462696145.87983394 LCAO eigensolver (0.00000s) started
T25 >> 1462696145.87984610 Potential matrix (0.00000s) started
T25 << 1462696148.31034708 Potential matrix (2.43050s) stopped
T25 >> 1462696148.31044102 DistributedAtomicCorrection (0.00000s) started
T25 << 1462696149.32371497 DistributedAtomicCorrection (1.01328s) stopped
T25 >> 1462696149.32376695 Distribute overlap matrix (0.00000s) started
T25 >> 1462696149.32379007 blocked summation (0.00000s) started
T25 << 1462696154.32992196 blocked summation (5.00613s) stopped
T25 >> 1462696154.34033489 Scalapack redistribute (0.00000s) started
T25 << 1462696154.43357301 Scalapack redistribute (0.09324s) stopped
T25 << 1462696154.43366003 Distribute overlap matrix (5.10989s) stopped
T25 >> 1462696154.43913007 Blacs Orbital Layouts (0.00000s) started
T25 >> 1462696154.44679189 General diagonalize (0.00000s) started
T25 << 1462696212.97447610 General diagonalize (58.52769s) stopped
T25 >> 1462696212.97452092 Redistribute coefs (0.00000s) started
T25 << 1462696212.99861693 Redistribute coefs (0.02410s) stopped
T25 >> 1462696212.99866390 Send coefs to domains (0.00000s) started
T25 << 1462696213.12263107 Send coefs to domains (0.12397s) stopped
T25 << 1462696213.12281394 Blacs Orbital Layouts (58.68369s) stopped
T25 >> 1462696213.12284303 Calculate projections (0.00000s) started
T25 << 1462696218.00091410 Calculate projections (4.87807s) stopped
T25 << 1462696218.00123906 LCAO eigensolver (72.12141s) stopped
T25 >> 1462696219.55735612 Density (0.00000s) started
T25 >> 1462696219.55737090 Pseudo density (0.00000s) started
T25 >> 1462696219.55868196 Calculate density matrix (0.00000s) started
T25 << 1462696230.59230089 Calculate density matrix (11.03362s) stopped
T25 >> 1462696230.59235692 Construct density (0.00000s) started
T25 << 1462696232.28624296 Construct density (1.69389s) stopped
T25 >> 1462696232.29935002 Symmetrize density (0.00001s) started
T25 << 1462696232.29941297 Symmetrize density (0.00007s) stopped
T25 << 1462696232.30145407 Pseudo density (12.74408s) stopped
T25 >> 1462696232.30150604 Atomic density matrices (0.00000s) started
T25 << 1462696234.89459395 Atomic density matrices (2.59309s) stopped
T25 >> 1462696234.89462590 Multipole moments (0.00000s) started
T25 << 1462696234.89927006 Multipole moments (0.00465s) stopped
T25 >> 1462696234.89929700 Normalize (0.00000s) started
T25 << 1462696234.90644598 Normalize (0.00715s) stopped
T25 >> 1462696234.90648699 Mix (0.00000s) started
T25 << 1462696235.35444498 Mix (0.44796s) stopped
T25 << 1462696235.35456491 Density (15.79721s) stopped
T25 >> 1462696235.35461998 Hamiltonian (0.00001s) started
T25 >> 1462696235.35463905 vbar (0.00000s) started
T25 << 1462696235.38098311 vbar (0.02635s) stopped
T25 >> 1462696235.38108993 XC 3D grid (0.00000s) started
T25 >> 1462696235.88588595 van der Waals (0.00001s) started
T25 >> 1462696236.01849389 semilocal (0.00002s) started
T25 << 1462696242.21749401 semilocal (6.19902s) stopped
T25 >> 1462696242.28735709 redistribute (0.00000s) started
T25 << 1462696243.25158405 redistribute (0.96423s) stopped
T25 >> 1462696243.25162697 libvdwxc nonlocal (0.00000s) started
T25 << 1462696262.78869104 libvdwxc nonlocal (19.53707s) stopped
T25 >> 1462696262.78874207 redistribute (0.96426s) started
T25 << 1462696264.51302910 redistribute (2.68855s) stopped
T25 << 1462696264.51559997 van der Waals (28.62972s) stopped
T25 << 1462696264.99632907 XC 3D grid (29.61524s) stopped
T25 >> 1462696264.99636793 Poisson (0.00000s) started
T25 << 1462696283.70165706 Poisson (18.70529s) stopped
T25 >> 1462696283.70172906 Hartree integrate/restrict (0.00000s) started
T25 << 1462696283.75609493 Hartree integrate/restrict (0.05437s) stopped
T25 >> 1462696283.75615406 Hartree integrate/restrict (0.05441s) started
T25 << 1462696284.08659911 Hartree integrate/restrict (0.38485s) stopped
T25 >> 1462696284.13672709 Atomic (0.00000s) started
T25 >> 1462696284.14565492 XC Correction (0.00000s) started
T25 << 1462696289.28609896 XC Correction (5.14045s) stopped
T25 << 1462696291.82459497 Atomic (7.68787s) stopped
T25 >> 1462696291.82469106 Communicate (0.00000s) started
T25 << 1462696293.62691593 Communicate (1.80223s) stopped
T25 << 1462696293.62694192 Hamiltonian (58.27233s) stopped
T25 >> 1462696293.62698197 LCAO eigensolver (72.12142s) started
T25 >> 1462696293.62699509 Potential matrix (2.43056s) started
T25 << 1462696296.06820011 Potential matrix (4.87176s) stopped
T25 >> 1462696296.06826997 DistributedAtomicCorrection (1.01332s) started
T25 << 1462696297.06722403 DistributedAtomicCorrection (2.01227s) stopped
T25 >> 1462696297.06727004 Distribute overlap matrix (5.10991s) started
T25 >> 1462696297.06729102 blocked summation (5.00617s) started
T25 << 1462696302.13686490 blocked summation (10.07574s) stopped
T25 >> 1462696302.14661002 Scalapack redistribute (0.09331s) started
T25 << 1462696302.23541403 Scalapack redistribute (0.18211s) stopped
T25 << 1462696302.23548603 Distribute overlap matrix (10.27812s) stopped
T25 >> 1462696302.23997808 Blacs Orbital Layouts (58.68371s) started
T25 >> 1462696302.24868703 General diagonalize (58.52772s) started
T25 << 1462696360.24589205 General diagonalize (116.52493s) stopped
T25 >> 1462696360.24593806 Redistribute coefs (0.02414s) started
T25 << 1462696360.27308798 Redistribute coefs (0.05129s) stopped
T25 >> 1462696360.27312803 Send coefs to domains (0.12400s) started
T25 << 1462696360.41679502 Send coefs to domains (0.26767s) stopped
T25 << 1462696360.41724300 Blacs Orbital Layouts (116.86097s) stopped
T25 >> 1462696360.41727304 Calculate projections (4.87812s) started
T25 << 1462696365.35655189 Calculate projections (9.81740s) stopped
T25 << 1462696365.35688400 LCAO eigensolver (143.85133s) stopped
T25 >> 1462696366.81911111 Density (15.79723s) started
T25 >> 1462696366.81912708 Pseudo density (12.74413s) started
T25 >> 1462696366.82064509 Calculate density matrix (11.03366s) started
T25 << 1462696377.81372905 Calculate density matrix (22.02674s) stopped
T25 >> 1462696377.81378388 Construct density (1.69394s) started
T25 << 1462696379.52562499 Construct density (3.40578s) stopped
T25 >> 1462696379.54153609 Symmetrize density (0.00009s) started
T25 << 1462696379.54160094 Symmetrize density (0.00015s) stopped
T25 << 1462696379.54393005 Pseudo density (25.46893s) stopped
T25 >> 1462696379.54399204 Atomic density matrices (2.59311s) started
T25 << 1462696382.13044310 Atomic density matrices (5.17957s) stopped
T25 >> 1462696382.13047504 Multipole moments (0.00466s) started
T25 << 1462696382.13715410 Multipole moments (0.01134s) stopped
T25 >> 1462696382.13718104 Normalize (0.00718s) started
T25 << 1462696382.14618206 Normalize (0.01618s) stopped
T25 >> 1462696382.14629507 Mix (0.44808s) started
T25 << 1462696382.59820199 Mix (0.89998s) stopped
T25 << 1462696382.59828305 Density (31.57640s) stopped
T25 >> 1462696382.59832096 Hamiltonian (58.27234s) started
T25 >> 1462696382.59833598 vbar (0.02640s) started
T25 << 1462696382.62985396 vbar (0.05792s) stopped
T25 >> 1462696382.62997007 XC 3D grid (29.61527s) started
T25 >> 1462696383.11809897 van der Waals (28.62978s) started
T25 >> 1462696383.25312304 semilocal (6.19909s) started
T25 << 1462696389.27258801 semilocal (12.21855s) stopped
T25 >> 1462696389.37971091 redistribute (2.68861s) started
T25 << 1462696390.50615692 redistribute (3.81506s) stopped
T25 >> 1462696390.50620198 libvdwxc nonlocal (19.53710s) started
T25 << 1462696409.53666711 libvdwxc nonlocal (38.56757s) stopped
T25 >> 1462696409.53672194 redistribute (3.81509s) started
T25 << 1462696411.59310102 redistribute (5.87147s) stopped
T25 << 1462696411.59528804 van der Waals (57.10697s) stopped
T25 << 1462696412.08524299 XC 3D grid (59.07055s) stopped
T25 >> 1462696412.08529305 Poisson (18.70534s) started
T25 << 1462696433.54714203 Poisson (40.16719s) stopped
T25 >> 1462696433.54720211 Hartree integrate/restrict (0.38492s) started
T25 << 1462696433.59024692 Hartree integrate/restrict (0.42797s) stopped
T25 >> 1462696433.59030890 Hartree integrate/restrict (0.42801s) started
T25 << 1462696433.93709397 Hartree integrate/restrict (0.77479s) stopped
T25 >> 1462696433.98997998 Atomic (7.68789s) started
T25 >> 1462696433.99905300 XC Correction (5.14047s) started
T25 << 1462696439.15015006 XC Correction (10.29156s) stopped
T25 << 1462696441.66112995 Atomic (15.35904s) stopped
T25 >> 1462696441.66123295 Communicate (1.80224s) started
T25 << 1462696443.46422791 Communicate (3.60524s) stopped
T25 << 1462696443.46425200 Hamiltonian (119.13827s) stopped
T25 >> 1462696443.46429396 LCAO eigensolver (143.85134s) started
T25 >> 1462696443.46430707 Potential matrix (4.87180s) started
T25 << 1462696445.89637899 Potential matrix (7.30387s) stopped
T25 >> 1462696445.89647293 DistributedAtomicCorrection (2.01231s) started
T25 << 1462696446.90440512 DistributedAtomicCorrection (3.02024s) stopped
T25 >> 1462696446.90445709 Distribute overlap matrix (10.27814s) started
T25 >> 1462696446.90447998 blocked summation (10.07577s) started
T25 << 1462696451.91302109 blocked summation (15.08431s) stopped
T25 >> 1462696451.92205501 Scalapack redistribute (0.18216s) started
T25 << 1462696452.05854511 Scalapack redistribute (0.31865s) stopped
T25 << 1462696452.05862308 Distribute overlap matrix (15.43230s) stopped
T25 >> 1462696452.06402993 Blacs Orbital Layouts (116.86099s) started
T25 >> 1462696452.07216501 General diagonalize (116.52497s) started
T25 << 1462696505.64050293 General diagonalize (170.09331s) stopped
T25 >> 1462696505.64054799 Redistribute coefs (0.05132s) started
T25 << 1462696505.65546989 Redistribute coefs (0.06624s) stopped
T25 >> 1462696505.65551209 Send coefs to domains (0.26770s) started
T25 << 1462696505.83324099 Send coefs to domains (0.44543s) stopped
T25 << 1462696505.83405495 Blacs Orbital Layouts (170.63102s) stopped
T25 >> 1462696505.83408594 Calculate projections (9.81746s) started
T25 << 1462696510.71477509 Calculate projections (14.69815s) stopped
T25 << 1462696510.71511006 LCAO eigensolver (211.10216s) stopped
T25 >> 1462696512.50201988 Density (31.57642s) started
T25 >> 1462696512.50204110 Pseudo density (25.46898s) started
T25 >> 1462696512.50322390 Calculate density matrix (22.02678s) started
T25 << 1462696523.47422504 Calculate density matrix (32.99778s) stopped
T25 >> 1462696523.47428203 Construct density (3.40584s) started
T25 << 1462696525.17854691 Construct density (5.11010s) stopped
T25 >> 1462696525.19187903 Symmetrize density (0.00017s) started
T25 << 1462696525.19193411 Symmetrize density (0.00023s) stopped
T25 << 1462696525.19398594 Pseudo density (38.16092s) stopped
T25 >> 1462696525.19404292 Atomic density matrices (5.17959s) started
T25 << 1462696527.79159403 Atomic density matrices (7.77714s) stopped
T25 >> 1462696527.79162502 Multipole moments (0.01136s) started
T25 << 1462696527.79854202 Multipole moments (0.01828s) stopped
T25 >> 1462696527.79856896 Normalize (0.01627s) started
T25 << 1462696527.80547190 Normalize (0.02318s) stopped
T25 >> 1462696527.80552602 Mix (0.90006s) started
T25 << 1462696528.25469995 Mix (1.34923s) stopped
T25 << 1462696528.25479388 Density (47.32919s) stopped
T25 >> 1462696528.25483799 Hamiltonian (119.13828s) started
T25 >> 1462696528.25485492 vbar (0.05799s) started
T25 << 1462696528.27746511 vbar (0.08060s) stopped
T25 >> 1462696528.27759504 XC 3D grid (59.07059s) started
T25 >> 1462696528.81824994 van der Waals (57.10707s) started
T25 >> 1462696528.95554399 semilocal (12.21868s) started
T25 << 1462696535.10631490 semilocal (18.36946s) stopped
T25 >> 1462696535.17824602 redistribute (5.87159s) started
T25 << 1462696536.16468692 redistribute (6.85803s) stopped
T25 >> 1462696536.16473198 libvdwxc nonlocal (38.56761s) started
T25 << 1462696555.51338601 libvdwxc nonlocal (57.91627s) stopped
T25 >> 1462696555.51342797 redistribute (6.85806s) started
T25 << 1462696557.13625789 redistribute (8.48089s) stopped
T25 << 1462696557.13807011 van der Waals (85.42689s) stopped
T25 << 1462696557.61853504 XC 3D grid (88.41153s) stopped
T25 >> 1462696557.61857796 Poisson (40.16724s) started
T25 << 1462696577.79274106 Poisson (60.34140s) stopped
T25 >> 1462696577.79280496 Hartree integrate/restrict (0.77483s) started
T25 << 1462696577.85725403 Hartree integrate/restrict (0.83927s) stopped
T25 >> 1462696577.85733008 Hartree integrate/restrict (0.83933s) started
T25 << 1462696578.17179608 Hartree integrate/restrict (1.15379s) stopped
T25 >> 1462696578.22274208 Atomic (15.35906s) started
T25 >> 1462696578.23181891 XC Correction (10.29158s) started
T25 << 1462696583.35989189 XC Correction (15.41966s) stopped
T25 << 1462696585.89608502 Atomic (23.03240s) stopped
T25 >> 1462696585.89619207 Communicate (3.60525s) started
T25 << 1462696587.71265101 Communicate (5.42171s) stopped
T25 << 1462696587.71267509 Hamiltonian (178.59612s) stopped
T25 >> 1462696587.71271896 LCAO eigensolver (211.10218s) started
T25 >> 1462696587.71274900 Potential matrix (7.30392s) started
T25 << 1462696590.14925599 Potential matrix (9.74043s) stopped
T25 >> 1462696590.14934707 DistributedAtomicCorrection (3.02028s) started
T25 << 1462696591.15362191 DistributedAtomicCorrection (4.02455s) stopped
T25 >> 1462696591.15367293 Distribute overlap matrix (15.43231s) started
T25 >> 1462696591.15369511 blocked summation (15.08435s) started
T25 << 1462696596.22419310 blocked summation (20.15485s) stopped
T25 >> 1462696596.23347902 Scalapack redistribute (0.31871s) started
T25 << 1462696596.35148191 Scalapack redistribute (0.43671s) stopped
T25 << 1462696596.35156012 Distribute overlap matrix (20.63020s) stopped
T25 >> 1462696596.35694599 Blacs Orbital Layouts (170.63104s) started
T25 >> 1462696596.36485696 General diagonalize (170.09334s) started
T25 << 1462696655.66089702 General diagonalize (229.38938s) stopped
T25 >> 1462696655.66094494 Redistribute coefs (0.06627s) started
T25 << 1462696655.67639589 Redistribute coefs (0.08172s) stopped
T25 >> 1462696655.67644095 Send coefs to domains (0.44547s) started
T25 << 1462696655.76104903 Send coefs to domains (0.53008s) stopped
T25 << 1462696655.76180506 Blacs Orbital Layouts (230.03590s) stopped
T25 >> 1462696655.76183510 Calculate projections (14.69820s) started
T25 << 1462696660.63176107 Calculate projections (19.56813s) stopped
T25 << 1462696660.63217402 LCAO eigensolver (284.02163s) stopped
T25 >> 1462696662.26106405 Density (47.32921s) started
T25 >> 1462696662.26107788 Pseudo density (38.16097s) started
T25 >> 1462696662.26249790 Calculate density matrix (32.99782s) started
T25 << 1462696673.19252992 Calculate density matrix (43.92785s) stopped
T25 >> 1462696673.19258499 Construct density (5.11015s) started
T25 << 1462696674.89138389 Construct density (6.80895s) stopped
T25 >> 1462696674.90416694 Symmetrize density (0.00024s) started
T25 << 1462696674.90422201 Symmetrize density (0.00030s) stopped
T25 << 1462696674.90624595 Pseudo density (50.80614s) stopped
T25 >> 1462696674.90630198 Atomic density matrices (7.77716s) started
T25 << 1462696677.54839611 Atomic density matrices (10.41926s) stopped
T25 >> 1462696677.54842496 Multipole moments (0.01829s) started
T25 << 1462696677.55407906 Multipole moments (0.02395s) stopped
T25 >> 1462696677.55410504 Normalize (0.02322s) started
T25 << 1462696677.56092095 Normalize (0.03003s) stopped
T25 >> 1462696677.56100297 Mix (1.34932s) started
T25 << 1462696678.05463004 Mix (1.84295s) stopped
T25 << 1462696678.05470800 Density (63.12285s) stopped
T25 >> 1462696678.05474496 Hamiltonian (178.59613s) started
T25 >> 1462696678.05475998 vbar (0.08067s) started
T25 << 1462696678.08667803 vbar (0.11259s) stopped
T25 >> 1462696678.08680010 XC 3D grid (88.41156s) started
T25 >> 1462696678.60188198 van der Waals (85.42698s) started
T25 >> 1462696678.73440409 semilocal (18.36955s) started
T25 << 1462696684.93182993 semilocal (24.56697s) stopped
T25 >> 1462696684.99602294 redistribute (8.48100s) started
T25 << 1462696685.94214797 redistribute (9.42713s) stopped
T25 >> 1462696685.94219995 libvdwxc nonlocal (57.91630s) started
T25 << 1462696705.46931505 libvdwxc nonlocal (77.44341s) stopped
T25 >> 1462696705.46936607 redistribute (9.42716s) started
T25 << 1462696707.05633307 redistribute (11.01413s) stopped
T25 << 1462696707.05812407 van der Waals (113.88322s) stopped
T25 << 1462696707.54801011 XC 3D grid (117.87277s) stopped
T25 >> 1462696707.54805803 Poisson (60.34145s) started
T25 << 1462696735.11359191 Poisson (87.90698s) stopped
T25 >> 1462696735.11365104 Hartree integrate/restrict (1.15384s) started
T25 << 1462696735.17789507 Hartree integrate/restrict (1.21809s) stopped
T25 >> 1462696735.17794609 Hartree integrate/restrict (1.21812s) started
T25 << 1462696735.49626088 Hartree integrate/restrict (1.53644s) stopped
T25 >> 1462696735.54754090 Atomic (23.03242s) started
T25 >> 1462696735.55662489 XC Correction (15.41968s) started
T25 << 1462696740.69435811 XC Correction (20.55741s) stopped
T25 << 1462696743.21498990 Atomic (30.69987s) stopped
T25 >> 1462696743.21509194 Communicate (5.42173s) started
T25 << 1462696745.01718307 Communicate (7.22382s) stopped
T25 << 1462696745.01720595 Hamiltonian (245.55859s) stopped
T25 >> 1462696745.01724505 LCAO eigensolver (284.02165s) started
T25 >> 1462696745.01725698 Potential matrix (9.74048s) started
T25 << 1462696747.43787193 Potential matrix (12.16110s) stopped
T25 >> 1462696747.43794107 DistributedAtomicCorrection (4.02459s) started
T25 << 1462696748.42665410 DistributedAtomicCorrection (5.01331s) stopped
T25 >> 1462696748.42669702 Distribute overlap matrix (20.63022s) started
T25 >> 1462696748.42671609 blocked summation (20.15488s) started
T25 << 1462696753.53413606 blocked summation (25.26230s) stopped
T25 >> 1462696753.54315901 Scalapack redistribute (0.43676s) started
T25 << 1462696753.67140007 Scalapack redistribute (0.56501s) stopped
T25 << 1462696753.67145801 Distribute overlap matrix (25.87498s) stopped
T25 >> 1462696753.67954397 Blacs Orbital Layouts (230.03592s) started
T25 >> 1462696753.68795705 General diagonalize (229.38942s) started
T25 << 1462696812.72756505 General diagonalize (288.42903s) stopped
T25 >> 1462696812.72761202 Redistribute coefs (0.08176s) started
T25 << 1462696812.74305606 Redistribute coefs (0.09720s) stopped
T25 >> 1462696812.74310899 Send coefs to domains (0.53012s) started
T25 << 1462696813.05367804 Send coefs to domains (0.84069s) stopped
T25 << 1462696813.05420208 Blacs Orbital Layouts (289.41057s) stopped
T25 >> 1462696813.05423188 Calculate projections (19.56818s) started
T25 << 1462696817.92787600 Calculate projections (24.44183s) stopped
T25 << 1462696817.92805600 LCAO eigensolver (356.93246s) stopped
T25 >> 1462696819.54341602 Density (63.12287s) started
T25 >> 1462696819.54343009 Pseudo density (50.80618s) started
T25 >> 1462696819.54463601 Calculate density matrix (43.92789s) started
T25 << 1462696830.55306697 Calculate density matrix (54.93632s) stopped
T25 >> 1462696830.55312300 Construct density (6.80899s) started
T25 << 1462696832.25792193 Construct density (8.51379s) stopped
T25 >> 1462696832.27088809 Symmetrize density (0.00031s) started
T25 << 1462696832.27094293 Symmetrize density (0.00037s) stopped
T25 << 1462696832.27300191 Pseudo density (63.53576s) stopped
T25 >> 1462696832.27305889 Atomic density matrices (10.41928s) started
T25 << 1462696834.87759590 Atomic density matrices (13.02382s) stopped
T25 >> 1462696834.87762809 Multipole moments (0.02397s) started
T25 << 1462696834.88312793 Multipole moments (0.02947s) stopped
T25 >> 1462696834.88315511 Normalize (0.03010s) started
T25 << 1462696834.88990498 Normalize (0.03685s) stopped
T25 >> 1462696834.88999295 Mix (1.84303s) started
T25 << 1462696835.44446802 Mix (2.39750s) stopped
T25 << 1462696835.44457293 Density (79.02403s) stopped
T25 >> 1462696835.44461989 Hamiltonian (245.55861s) started
T25 >> 1462696835.44463801 vbar (0.11266s) started
T25 << 1462696835.47349000 vbar (0.14152s) stopped
T25 >> 1462696835.47363806 XC 3D grid (117.87281s) started
T25 >> 1462696836.06218600 van der Waals (113.88328s) started
T25 >> 1462696836.12658596 semilocal (24.56706s) started
T25 << 1462696842.17493296 semilocal (30.61541s) stopped
T25 >> 1462696842.24386811 redistribute (11.01420s) started
T25 << 1462696843.14864898 redistribute (11.91898s) stopped
T25 >> 1462696843.14869690 libvdwxc nonlocal (77.44345s) started
T25 << 1462696862.21126008 libvdwxc nonlocal (96.50601s) stopped
T25 >> 1462696862.21130490 redistribute (11.91902s) started
T25 << 1462696863.84810996 redistribute (13.55582s) stopped
T25 << 1462696863.85065699 van der Waals (141.67175s) stopped
T25 << 1462696864.34143806 XC 3D grid (146.74061s) stopped
T25 >> 1462696864.34148407 Poisson (87.90702s) started
T25 << 1462696883.70316601 Poisson (107.26871s) stopped
T25 >> 1462696883.70324707 Hartree integrate/restrict (1.53647s) started
T25 << 1462696883.75770998 Hartree integrate/restrict (1.59093s) stopped
T25 >> 1462696883.75776410 Hartree integrate/restrict (1.59097s) started
T25 << 1462696884.07637906 Hartree integrate/restrict (1.90958s) stopped
T25 >> 1462696884.12681389 Atomic (30.69989s) started
T25 >> 1462696884.13594007 XC Correction (20.55743s) started
T25 << 1462696889.27796888 XC Correction (25.69946s) stopped
T25 << 1462696891.79298902 Atomic (38.36606s) stopped
T25 >> 1462696891.79308510 Communicate (7.22383s) started
T25 << 1462696893.60750890 Communicate (9.03826s) stopped
T25 << 1462696893.60753202 Hamiltonian (303.72152s) stopped
T25 >> 1462696893.60756803 LCAO eigensolver (356.93248s) started
T25 >> 1462696893.60758090 Potential matrix (12.16114s) started
T25 << 1462696896.03645897 Potential matrix (14.59002s) stopped
T25 >> 1462696896.03652811 DistributedAtomicCorrection (5.01334s) started
T25 << 1462696897.02969694 DistributedAtomicCorrection (6.00651s) stopped
T25 >> 1462696897.02974105 Distribute overlap matrix (25.87499s) started
T25 >> 1462696897.02976203 blocked summation (25.26233s) started
T25 << 1462696902.17564106 blocked summation (30.40821s) stopped
T25 >> 1462696902.18436503 Scalapack redistribute (0.56505s) started
T25 << 1462696902.29685903 Scalapack redistribute (0.67754s) stopped
T25 << 1462696902.29690504 Distribute overlap matrix (31.14216s) stopped
T25 >> 1462696902.30244207 Blacs Orbital Layouts (289.41059s) started
T25 >> 1462696902.32141900 General diagonalize (288.42907s) started
T25 << 1462696960.88483691 General diagonalize (346.99249s) stopped
T25 >> 1462696960.88488102 Redistribute coefs (0.09724s) started
T25 << 1462696960.90889907 Redistribute coefs (0.12126s) stopped
T25 >> 1462696960.90893698 Send coefs to domains (0.84073s) started
T25 << 1462696961.08705711 Send coefs to domains (1.01885s) stopped
T25 << 1462696961.08769894 Blacs Orbital Layouts (348.19585s) stopped
T25 >> 1462696961.08772802 Calculate projections (24.44188s) started
T25 << 1462696965.96965003 Calculate projections (29.32380s) stopped
T25 << 1462696965.96982408 LCAO eigensolver (429.29474s) stopped
T25 >> 1462696967.82226706 Density (79.02404s) started
T25 >> 1462696967.82228088 Pseudo density (63.53580s) started
T25 >> 1462696967.82358503 Calculate density matrix (54.93636s) started
T25 << 1462696978.87060189 Calculate density matrix (65.98337s) stopped
T25 >> 1462696978.87065911 Construct density (8.51382s) started
T25 << 1462696980.56076288 Construct density (10.20393s) stopped
T25 >> 1462696980.57496405 Symmetrize density (0.00039s) started
T25 << 1462696980.57502007 Symmetrize density (0.00044s) stopped
T25 << 1462696980.57706404 Pseudo density (76.29059s) stopped
T25 >> 1462696980.57711601 Atomic density matrices (13.02384s) started
T25 << 1462696983.20854592 Atomic density matrices (15.65527s) stopped
T25 >> 1462696983.20857811 Multipole moments (0.02948s) started
T25 << 1462696983.21392989 Multipole moments (0.03483s) stopped
T25 >> 1462696983.21395612 Normalize (0.03692s) started
T25 << 1462696983.22070003 Normalize (0.04366s) stopped
T25 >> 1462696983.22075701 Mix (2.39760s) started
T25 << 1462696983.72078204 Mix (2.89763s) stopped
T25 << 1462696983.72088194 Density (94.92266s) stopped
T25 >> 1462696983.72093010 Hamiltonian (303.72154s) started
T25 >> 1462696983.72094893 vbar (0.14160s) started
T25 << 1462696983.74553800 vbar (0.16619s) stopped
T25 >> 1462696983.74566388 XC 3D grid (146.74064s) started
T25 >> 1462696984.25759697 van der Waals (141.67184s) started
T25 >> 1462696984.38825989 semilocal (30.61548s) started
T25 << 1462696990.56059194 semilocal (36.78781s) stopped
T25 >> 1462696990.64215708 redistribute (13.55594s) started
T25 << 1462696991.67588210 redistribute (14.58967s) stopped
T25 >> 1462696991.67592692 libvdwxc nonlocal (96.50605s) started
T25 << 1462697011.13704491 libvdwxc nonlocal (115.96716s) stopped
T25 >> 1462697011.13708997 redistribute (14.58970s) started
T25 << 1462697012.88241792 redistribute (16.33503s) stopped
T25 << 1462697012.88417006 van der Waals (170.29841s) stopped
T25 << 1462697013.39279509 XC 3D grid (176.38778s) stopped
T25 >> 1462697013.39283800 Poisson (107.26877s) started
T25 << 1462697033.45745611 Poisson (127.33338s) stopped
T25 >> 1462697033.45751810 Hartree integrate/restrict (1.90965s) started
T25 << 1462697033.51282310 Hartree integrate/restrict (1.96495s) stopped
T25 >> 1462697033.51287293 Hartree integrate/restrict (1.96498s) started
T25 << 1462697033.84867597 Hartree integrate/restrict (2.30079s) stopped
T25 >> 1462697033.89860797 Atomic (38.36608s) started
T25 >> 1462697033.90774393 XC Correction (25.69948s) started
T25 << 1462697039.05378199 XC Correction (30.84552s) stopped
T25 << 1462697041.60397291 Atomic (46.07145s) stopped
T25 >> 1462697041.60406804 Communicate (9.03827s) started
T25 << 1462697043.38710904 Communicate (10.82131s) stopped
T25 << 1462697043.38713288 Hamiltonian (363.38774s) stopped
T25 >> 1462697043.38717008 LCAO eigensolver (429.29475s) started
T25 >> 1462697043.38718200 Potential matrix (14.59006s) started
T25 << 1462697045.82157302 Potential matrix (17.02445s) stopped
T25 >> 1462697045.82164407 DistributedAtomicCorrection (6.00654s) started
T25 << 1462697046.81791306 DistributedAtomicCorrection (7.00281s) stopped
T25 >> 1462697046.81796002 Distribute overlap matrix (31.14217s) started
T25 >> 1462697046.81798005 blocked summation (30.40824s) started
T25 << 1462697051.94785404 blocked summation (35.53812s) stopped
T25 >> 1462697051.95678997 Scalapack redistribute (0.67757s) started
T25 << 1462697052.09579492 Scalapack redistribute (0.81657s) stopped
T25 << 1462697052.09585690 Distribute overlap matrix (36.42006s) stopped
T25 >> 1462697052.10337305 Blacs Orbital Layouts (348.19587s) started
T25 >> 1462697052.11171103 General diagonalize (346.99252s) started
T25 << 1462697107.27923107 General diagonalize (402.16004s) stopped
T25 >> 1462697107.27927589 Redistribute coefs (0.12129s) started
T25 << 1462697107.29610896 Redistribute coefs (0.13813s) stopped
T25 >> 1462697107.29615092 Send coefs to domains (1.01890s) started
T25 << 1462697107.37625909 Send coefs to domains (1.09901s) stopped
T25 << 1462697107.37670302 Blacs Orbital Layouts (403.46920s) stopped
T25 >> 1462697107.37673092 Calculate projections (29.32385s) started
T25 << 1462697112.31169796 Calculate projections (34.25882s) stopped
T25 << 1462697112.31188297 LCAO eigensolver (498.21947s) stopped
T25 >> 1462697113.81251907 Density (94.92268s) started
T25 >> 1462697113.81253409 Pseudo density (76.29063s) started
T25 >> 1462697113.81417203 Calculate density matrix (65.98341s) started
T25 << 1462697124.92281604 Calculate density matrix (77.09205s) stopped
T25 >> 1462697124.92287207 Construct density (10.20398s) started
T25 << 1462697126.62602496 Construct density (11.90713s) stopped
T25 >> 1462697126.64074397 Symmetrize density (0.00046s) started
T25 << 1462697126.64080906 Symmetrize density (0.00052s) stopped
T25 << 1462697126.64320397 Pseudo density (89.12130s) stopped
T25 >> 1462697126.64326906 Atomic density matrices (15.65530s) started
T25 << 1462697129.23119211 Atomic density matrices (18.24322s) stopped
T25 >> 1462697129.23122501 Multipole moments (0.03485s) started
T25 << 1462697129.23821306 Multipole moments (0.04184s) stopped
T25 >> 1462697129.23824096 Normalize (0.04370s) started
T25 << 1462697129.24741912 Normalize (0.05288s) stopped
T25 >> 1462697129.24749207 Mix (2.89772s) started
T25 << 1462697129.74711204 Mix (3.39734s) stopped
T25 << 1462697129.74726105 Density (110.85742s) stopped
T25 >> 1462697129.74731398 Hamiltonian (363.38775s) started
T25 >> 1462697129.74733806 vbar (0.16626s) started
T25 << 1462697129.77679610 vbar (0.19572s) stopped
T25 >> 1462697129.77692699 XC 3D grid (176.38781s) started
T25 >> 1462697130.27766109 van der Waals (170.29849s) started
T25 >> 1462697130.41017509 semilocal (36.78788s) started
T25 << 1462697136.50960493 semilocal (42.88731s) stopped
T25 >> 1462697136.60107088 redistribute (16.33512s) started
T25 << 1462697137.64396501 redistribute (17.37802s) stopped
T25 >> 1462697137.64401507 libvdwxc nonlocal (115.96720s) started
T25 << 1462697156.60514808 libvdwxc nonlocal (134.92833s) stopped
T25 >> 1462697156.60521603 redistribute (17.37805s) started
T25 << 1462697158.66826010 redistribute (19.44110s) stopped
T25 << 1462697158.67046404 van der Waals (198.69130s) stopped
T25 << 1462697159.15932703 XC 3D grid (205.77021s) stopped
T25 >> 1462697159.15938401 Poisson (127.33343s) started
T25 << 1462697162.15616107 Poisson (130.33021s) stopped
T25 >> 1462697162.15624094 Hartree integrate/restrict (2.30082s) started
T25 << 1462697162.19533801 Hartree integrate/restrict (2.33992s) stopped
T25 >> 1462697162.19546700 Hartree integrate/restrict (2.34001s) started
T25 << 1462697162.55917597 Hartree integrate/restrict (2.70372s) stopped
T25 >> 1462697162.60736489 Atomic (46.07146s) started
T25 >> 1462697162.61665702 XC Correction (30.84554s) started
T25 << 1462697167.79082990 XC Correction (36.01971s) stopped
T25 << 1462697170.30340791 Atomic (53.76751s) stopped
T25 >> 1462697170.30351806 Communicate (10.82133s) started
T25 << 1462697172.09971404 Communicate (12.61752s) stopped
T25 << 1462697172.09974003 Hamiltonian (405.74018s) stopped
T25 >> 1462697172.09978199 LCAO eigensolver (498.21949s) started
T25 >> 1462697172.09979510 Potential matrix (17.02449s) started
T25 << 1462697174.52768707 Potential matrix (19.45238s) stopped
T25 >> 1462697174.52776599 DistributedAtomicCorrection (7.00284s) started
T25 << 1462697175.53352094 DistributedAtomicCorrection (8.00860s) stopped
T25 >> 1462697175.53357291 Distribute overlap matrix (36.42008s) started
T25 >> 1462697175.53359604 blocked summation (35.53815s) started
T25 << 1462697180.59458804 blocked summation (40.59914s) stopped
T25 >> 1462697180.60351801 Scalapack redistribute (0.81661s) started
T25 << 1462697180.71611309 Scalapack redistribute (0.92921s) stopped
T25 << 1462697180.71617293 Distribute overlap matrix (41.60268s) stopped
T25 >> 1462697180.72229195 Blacs Orbital Layouts (403.46922s) started
T25 >> 1462697180.73039007 General diagonalize (402.16008s) started
T25 << 1462697235.56845307 General diagonalize (456.99814s) stopped
T25 >> 1462697235.56849790 Redistribute coefs (0.13816s) started
T25 << 1462697235.59599710 Redistribute coefs (0.16566s) stopped
T25 >> 1462697235.59603596 Send coefs to domains (1.09905s) started
T25 << 1462697235.69892502 Send coefs to domains (1.20194s) stopped
T25 << 1462697235.69935489 Blacs Orbital Layouts (458.44628s) stopped
T25 >> 1462697235.69938493 Calculate projections (34.25888s) started
T25 << 1462697240.63369107 Calculate projections (39.19318s) stopped
T25 << 1462697240.63386202 LCAO eigensolver (566.75357s) stopped
T25 >> 1462697242.23294902 Density (110.85744s) started
T25 >> 1462697242.23296404 Pseudo density (89.12135s) started
T25 >> 1462697242.23459291 Calculate density matrix (77.09209s) started
T25 << 1462697253.25599694 Calculate density matrix (88.11349s) stopped
T25 >> 1462697253.25605798 Construct density (11.90718s) started
T25 << 1462697254.95170593 Construct density (13.60283s) stopped
T25 >> 1462697254.96533990 Symmetrize density (0.00054s) started
T25 << 1462697254.96540189 Symmetrize density (0.00060s) stopped
T25 << 1462697254.96774006 Pseudo density (101.85613s) stopped
T25 >> 1462697254.96780300 Atomic density matrices (18.24324s) started
T25 << 1462697257.57833409 Atomic density matrices (20.85378s) stopped
T25 >> 1462697257.57836699 Multipole moments (0.04186s) started
T25 << 1462697257.58541894 Multipole moments (0.04891s) stopped
T25 >> 1462697257.58544707 Normalize (0.05293s) started
T25 << 1462697257.59469509 Normalize (0.06218s) stopped
T25 >> 1462697257.59476495 Mix (3.39749s) started
T25 << 1462697258.16336799 Mix (3.96609s) stopped
T25 << 1462697258.16347098 Density (126.78796s) stopped
T25 >> 1462697258.16351891 Hamiltonian (405.74019s) started
T25 >> 1462697258.16353798 vbar (0.19580s) started
T25 << 1462697258.18768692 vbar (0.21994s) stopped
T25 >> 1462697258.18779707 XC 3D grid (205.77026s) started
T25 >> 1462697258.67683101 van der Waals (198.69135s) started
T25 >> 1462697258.80782700 semilocal (42.88741s) started
T25 << 1462697264.94003606 semilocal (49.01962s) stopped
T25 >> 1462697265.01923299 redistribute (19.44116s) started
T25 << 1462697266.15783310 redistribute (20.57976s) stopped
T25 >> 1462697266.15787601 libvdwxc nonlocal (134.92838s) started
T25 << 1462697285.12632108 libvdwxc nonlocal (153.89683s) stopped
T25 >> 1462697285.12639594 redistribute (20.57979s) started
T25 << 1462697287.15555310 redistribute (22.60894s) stopped
T25 << 1462697287.15737104 van der Waals (227.17189s) stopped
T25 << 1462697287.65158200 XC 3D grid (235.23404s) stopped
T25 >> 1462697287.65162492 Poisson (130.33026s) started
T25 << 1462697298.12796998 Poisson (140.80661s) stopped
T25 >> 1462697298.12807989 Hartree integrate/restrict (2.70378s) started
T25 << 1462697298.16171002 Hartree integrate/restrict (2.73741s) stopped
T25 >> 1462697298.16177106 Hartree integrate/restrict (2.73745s) started
T25 << 1462697298.52119398 Hartree integrate/restrict (3.09687s) stopped
T25 >> 1462697298.56963992 Atomic (53.76752s) started
T25 >> 1462697298.57888103 XC Correction (36.01973s) started
T25 << 1462697303.72931695 XC Correction (41.17017s) stopped
T25 << 1462697306.25026989 Atomic (61.44815s) stopped
T25 >> 1462697306.25038099 Communicate (12.61754s) started
T25 << 1462697308.05484509 Communicate (14.42201s) stopped
T25 << 1462697308.05486894 Hamiltonian (455.63154s) stopped
T25 >> 1462697308.05491090 LCAO eigensolver (566.75358s) started
T25 >> 1462697308.05492401 Potential matrix (19.45242s) started
T25 << 1462697310.48325205 Potential matrix (21.88075s) stopped
T25 >> 1462697310.48333097 DistributedAtomicCorrection (8.00864s) started
T25 << 1462697311.49226093 DistributedAtomicCorrection (9.01757s) stopped
T25 >> 1462697311.49231291 Distribute overlap matrix (41.60269s) started
T25 >> 1462697311.49233603 blocked summation (40.59917s) started
T25 << 1462697316.59054804 blocked summation (45.69738s) stopped
T25 >> 1462697316.59952688 Scalapack redistribute (0.92925s) started
T25 << 1462697316.69137812 Scalapack redistribute (1.02110s) stopped
T25 << 1462697316.69142795 Distribute overlap matrix (46.80180s) stopped
T25 >> 1462697316.69688392 Blacs Orbital Layouts (458.44630s) started
T25 >> 1462697316.70492792 General diagonalize (456.99818s) started
T25 << 1462697370.36581492 General diagonalize (510.65906s) stopped
T25 >> 1462697370.36585999 Redistribute coefs (0.16569s) started
T25 << 1462697370.38191104 Redistribute coefs (0.18174s) stopped
T25 >> 1462697370.38195610 Send coefs to domains (1.20197s) started
T25 << 1462697371.04035401 Send coefs to domains (1.86037s) stopped
T25 << 1462697371.04089499 Blacs Orbital Layouts (512.79031s) stopped
T25 >> 1462697371.04093194 Calculate projections (39.19324s) started
T25 << 1462697375.99399495 Calculate projections (44.14630s) stopped
T25 << 1462697375.99416900 LCAO eigensolver (634.69284s) stopped
T25 >> 1462697377.53524494 Density (126.78798s) started
T25 >> 1462697377.53525996 Pseudo density (101.85618s) started
T25 >> 1462697377.53726792 Calculate density matrix (88.11353s) started
T25 << 1462697388.55091310 Calculate density matrix (99.12718s) stopped
T25 >> 1462697388.55097294 Construct density (13.60289s) started
T25 << 1462697390.25789809 Construct density (15.30981s) stopped
T25 >> 1462697390.27425694 Symmetrize density (0.00062s) started
T25 << 1462697390.27431202 Symmetrize density (0.00068s) stopped
T25 << 1462697390.27664709 Pseudo density (114.59756s) stopped
T25 >> 1462697390.27670693 Atomic density matrices (20.85380s) started
T25 << 1462697392.87894893 Atomic density matrices (23.45604s) stopped
T25 >> 1462697392.87898588 Multipole moments (0.04893s) started
T25 << 1462697392.88449097 Multipole moments (0.05443s) stopped
T25 >> 1462697392.88451791 Normalize (0.06223s) started
T25 << 1462697392.89490294 Normalize (0.07262s) stopped
T25 >> 1462697392.89497995 Mix (3.96619s) started
T25 << 1462697393.41617990 Mix (4.48739s) stopped
T25 << 1462697393.41626096 Density (142.66900s) stopped
T25 >> 1462697393.41630101 Hamiltonian (455.63155s) started
T25 >> 1462697393.41631794 vbar (0.22001s) started
T25 << 1462697393.45190907 vbar (0.25560s) stopped
T25 >> 1462697393.45212007 XC 3D grid (235.23407s) started
T25 >> 1462697393.94032598 van der Waals (227.17198s) started
T25 >> 1462697394.06543112 semilocal (49.01971s) started
T25 << 1462697399.99111199 semilocal (54.94539s) stopped
T25 >> 1462697400.10047412 redistribute (22.60903s) started
T25 << 1462697401.32950711 redistribute (23.83807s) stopped
T25 >> 1462697401.32955098 libvdwxc nonlocal (153.89688s) started
T25 << 1462697420.81526995 libvdwxc nonlocal (173.38260s) stopped
T25 >> 1462697420.81531310 redistribute (23.83810s) started
T25 << 1462697422.97352910 redistribute (25.99631s) stopped
T25 << 1462697422.97532296 van der Waals (256.20697s) stopped
T25 << 1462697423.46921492 XC 3D grid (265.25117s) stopped
T25 >> 1462697423.46925807 Poisson (140.80669s) started
T25 << 1462697441.09928298 Poisson (158.43671s) stopped
T25 >> 1462697441.09941697 Hartree integrate/restrict (3.09695s) started
T25 << 1462697441.12923908 Hartree integrate/restrict (3.12677s) stopped
T25 >> 1462697441.12934494 Hartree integrate/restrict (3.12684s) started
T25 << 1462697441.51453900 Hartree integrate/restrict (3.51203s) stopped
T25 >> 1462697441.56538391 Atomic (61.44817s) started
T25 >> 1462697441.57454896 XC Correction (41.17019s) started
T25 << 1462697446.73470497 XC Correction (46.33035s) stopped
T25 << 1462697449.27533793 Atomic (69.15813s) stopped
T25 >> 1462697449.27543998 Communicate (14.42202s) started
T25 << 1462697451.07709289 Communicate (16.22367s) stopped
T25 << 1462697451.07711792 Hamiltonian (513.29237s) stopped
T25 >> 1462697451.07715511 LCAO eigensolver (634.69286s) started
T25 >> 1462697451.07716799 Potential matrix (21.88080s) started
T25 << 1462697453.51712298 Potential matrix (24.32075s) stopped
T25 >> 1462697453.51720095 DistributedAtomicCorrection (9.01761s) started
T25 << 1462697454.52660298 DistributedAtomicCorrection (10.02701s) stopped
T25 >> 1462697454.52665806 Distribute overlap matrix (46.80182s) started
T25 >> 1462697454.52668190 blocked summation (45.69742s) started
T25 << 1462697459.59639311 blocked summation (50.76713s) stopped
T25 >> 1462697459.60513496 Scalapack redistribute (1.02113s) started
T25 << 1462697459.71402311 Scalapack redistribute (1.13002s) stopped
T25 << 1462697459.71407890 Distribute overlap matrix (51.98924s) stopped
T25 >> 1462697459.71914601 Blacs Orbital Layouts (512.79033s) started
T25 >> 1462697459.72777009 General diagonalize (510.65910s) started
T25 << 1462697515.04444408 General diagonalize (565.97577s) stopped
T25 >> 1462697515.04449105 Redistribute coefs (0.18177s) started
T25 << 1462697515.07127690 Redistribute coefs (0.20856s) stopped
T25 >> 1462697515.07131696 Send coefs to domains (1.86041s) started
T25 << 1462697515.40059495 Send coefs to domains (2.18969s) stopped
T25 << 1462697515.40091705 Blacs Orbital Layouts (568.47210s) stopped
T25 >> 1462697515.40094495 Calculate projections (44.14636s) started
T25 << 1462697520.35053492 Calculate projections (49.09595s) stopped
T25 << 1462697520.35070610 LCAO eigensolver (703.96641s) stopped
T25 >> 1462697521.90097904 Density (142.66901s) started
T25 >> 1462697521.90099311 Pseudo density (114.59761s) started
T25 >> 1462697521.90280700 Calculate density matrix (99.12721s) started
T25 << 1462697532.92201710 Calculate density matrix (110.14642s) stopped
T25 >> 1462697532.92207503 Construct density (15.30986s) started
T25 << 1462697534.63321304 Construct density (17.02100s) stopped
T25 >> 1462697534.64705610 Symmetrize density (0.00069s) started
T25 << 1462697534.64711809 Symmetrize density (0.00076s) stopped
T25 << 1462697534.64946103 Pseudo density (127.34608s) stopped
T25 >> 1462697534.64952302 Atomic density matrices (23.45607s) started
T25 << 1462697537.27234197 Atomic density matrices (26.07889s) stopped
T25 >> 1462697537.27237391 Multipole moments (0.05445s) started
T25 << 1462697537.27801394 Multipole moments (0.06009s) stopped
T25 >> 1462697537.27804208 Normalize (0.07268s) started
T25 << 1462697537.28711104 Normalize (0.08175s) stopped
T25 >> 1462697537.28717303 Mix (4.48747s) started
T25 << 1462697537.81309700 Mix (5.01339s) stopped
T25 << 1462697537.81320810 Density (158.58124s) stopped
T25 >> 1462697537.81325603 Hamiltonian (513.29238s) started
T25 >> 1462697537.81327510 vbar (0.25573s) started
T25 << 1462697537.84676099 vbar (0.28921s) stopped
T25 >> 1462697537.84686399 XC 3D grid (265.25120s) started
T25 >> 1462697538.34304810 van der Waals (256.20707s) started
T25 >> 1462697538.45527291 semilocal (54.94552s) started
T25 << 1462697544.55214906 semilocal (61.04239s) stopped
T25 >> 1462697544.63850594 redistribute (25.99637s) started
T25 << 1462697545.67348790 redistribute (27.03135s) stopped
T25 >> 1462697545.67353010 libvdwxc nonlocal (173.38263s) started
T25 << 1462697565.37192297 libvdwxc nonlocal (193.08103s) stopped
T25 >> 1462697565.37201500 redistribute (27.03139s) started
T25 << 1462697567.55900788 redistribute (29.21838s) stopped
T25 << 1462697567.56062603 van der Waals (285.42465s) stopped
T25 << 1462697568.06896710 XC 3D grid (295.47330s) stopped
T25 >> 1462697568.06901407 Poisson (158.43682s) started
T25 << 1462697581.25452495 Poisson (171.62233s) stopped
T25 >> 1462697581.25465393 Hartree integrate/restrict (3.51212s) started
T25 << 1462697581.28442311 Hartree integrate/restrict (3.54189s) stopped
T25 >> 1462697581.28452897 Hartree integrate/restrict (3.54197s) started
T25 << 1462697581.66584897 Hartree integrate/restrict (3.92329s) stopped
T25 >> 1462697581.71641898 Atomic (69.15815s) started
T25 >> 1462697581.72565699 XC Correction (46.33037s) started
T25 << 1462697586.87496710 XC Correction (51.47968s) stopped
T25 << 1462697589.40264297 Atomic (76.84437s) stopped
T25 >> 1462697589.40275311 Communicate (16.22369s) started
T25 << 1462697591.19977808 Communicate (18.02071s) stopped
T25 << 1462697591.19980192 Hamiltonian (566.67893s) stopped
T25 >> 1462697591.19984388 LCAO eigensolver (703.96643s) started
T25 >> 1462697591.19985700 Potential matrix (24.32080s) started
T25 << 1462697593.63645697 Potential matrix (26.75740s) stopped
T25 >> 1462697593.63653493 DistributedAtomicCorrection (10.02705s) started
T25 << 1462697594.65196204 DistributedAtomicCorrection (11.04248s) stopped
T25 >> 1462697594.65201902 Distribute overlap matrix (51.98925s) started
T25 >> 1462697594.65204191 blocked summation (50.76716s) started
T25 << 1462697599.73823404 blocked summation (55.85335s) stopped
T25 >> 1462697599.74714494 Scalapack redistribute (1.13006s) started
T25 << 1462697599.85989809 Scalapack redistribute (1.24281s) stopped
T25 << 1462697599.85998297 Distribute overlap matrix (57.19722s) stopped
T25 >> 1462697599.86528611 Blacs Orbital Layouts (568.47212s) started
T25 >> 1462697599.87346005 General diagonalize (565.97581s) started
T25 << 1462697652.41663194 General diagonalize (618.51899s) stopped
T25 >> 1462697652.41667700 Redistribute coefs (0.20859s) started
T25 << 1462697652.44374299 Redistribute coefs (0.23566s) stopped
T25 >> 1462697652.44378209 Send coefs to domains (2.18973s) started
T25 << 1462697652.63061595 Send coefs to domains (2.37656s) stopped
T25 << 1462697652.63109112 Blacs Orbital Layouts (621.23792s) stopped
T25 >> 1462697652.63112807 Calculate projections (49.09601s) started
T25 << 1462697657.57083392 Calculate projections (54.03572s) stopped
T25 << 1462697657.57101011 LCAO eigensolver (770.33759s) stopped
T25 >> 1462697659.03520298 Density (158.58126s) started
T25 >> 1462697659.03521705 Pseudo density (127.34613s) started
T25 >> 1462697659.03684497 Calculate density matrix (110.14646s) started
T25 << 1462697670.13362908 Calculate density matrix (121.24324s) stopped
T25 >> 1462697670.13368797 Construct density (17.02105s) started
T25 << 1462697671.84526706 Construct density (18.73263s) stopped
T25 >> 1462697671.85997605 Symmetrize density (0.00077s) started
T25 << 1462697671.86001992 Symmetrize density (0.00081s) stopped
T25 << 1462697671.86230612 Pseudo density (140.17322s) stopped
T25 >> 1462697671.86234808 Atomic density matrices (26.07891s) started
T25 << 1462697674.46089506 Atomic density matrices (28.67746s) stopped
T25 >> 1462697674.46092796 Multipole moments (0.06011s) started
T25 << 1462697674.46695089 Multipole moments (0.06613s) stopped
T25 >> 1462697674.46697903 Normalize (0.08180s) started
T25 << 1462697674.47485209 Normalize (0.08967s) stopped
T25 >> 1462697674.47489595 Mix (5.01350s) started
T25 << 1462697675.05684710 Mix (5.59545s) stopped
T25 << 1462697675.05691004 Density (174.60297s) stopped
T25 >> 1462697675.05698705 Hamiltonian (566.67895s) started
T25 >> 1462697675.05700397 vbar (0.28927s) started
T25 << 1462697675.07779789 vbar (0.31006s) stopped
T25 >> 1462697675.07791591 XC 3D grid (295.47334s) started
T25 >> 1462697675.57563996 van der Waals (285.42475s) started
T25 >> 1462697675.70923090 semilocal (61.04251s) started
T25 << 1462697681.65831494 semilocal (66.99160s) stopped
T25 >> 1462697681.76364207 redistribute (29.21848s) started
T25 << 1462697682.97231507 redistribute (30.42715s) stopped
T25 >> 1462697682.97235894 libvdwxc nonlocal (193.08110s) started
T25 << 1462697701.55299807 libvdwxc nonlocal (211.66174s) stopped
T25 >> 1462697701.55304003 redistribute (30.42718s) started
T25 << 1462697703.39377999 redistribute (32.26792s) stopped
T25 << 1462697703.39622998 van der Waals (313.24534s) stopped
T25 << 1462697703.88951707 XC 3D grid (324.28494s) stopped
T25 >> 1462697703.88955903 Poisson (171.62243s) started
T25 << 1462697716.65938902 Poisson (184.39226s) stopped
T25 >> 1462697716.65946198 Hartree integrate/restrict (3.92336s) started
T25 << 1462697716.70200896 Hartree integrate/restrict (3.96591s) stopped
T25 >> 1462697716.70210195 Hartree integrate/restrict (3.96597s) started
T25 << 1462697717.03352308 Hartree integrate/restrict (4.29739s) stopped
T25 >> 1462697717.08339810 Atomic (76.84439s) started
T25 >> 1462697717.09262300 XC Correction (51.47970s) started
T25 << 1462697722.23914909 XC Correction (56.62623s) stopped
T25 << 1462697724.76404595 Atomic (84.52504s) stopped
T25 >> 1462697724.76414800 Communicate (18.02073s) started
T25 << 1462697726.58064198 Communicate (19.83722s) stopped
T25 << 1462697726.58066607 Hamiltonian (618.20263s) stopped
T25 >> 1462697726.58070493 LCAO eigensolver (770.33761s) started
T25 >> 1462697726.58071804 Potential matrix (26.75744s) started
T25 << 1462697729.02588296 Potential matrix (29.20260s) stopped
T25 >> 1462697729.02596402 DistributedAtomicCorrection (11.04253s) started
T25 << 1462697730.03170300 DistributedAtomicCorrection (12.04827s) stopped
T25 >> 1462697730.03175592 Distribute overlap matrix (57.19723s) started
T25 >> 1462697730.03177905 blocked summation (55.85338s) started
T25 << 1462697735.08559489 blocked summation (60.90720s) stopped
T25 >> 1462697735.09499502 Scalapack redistribute (1.24287s) started
T25 << 1462697735.19977093 Scalapack redistribute (1.34764s) stopped
T25 << 1462697735.19984698 Distribute overlap matrix (62.36532s) stopped
T25 >> 1462697735.20562291 Blacs Orbital Layouts (621.23794s) started
T25 >> 1462697735.21337700 General diagonalize (618.51902s) started
T25 << 1462697790.19957805 General diagonalize (673.50522s) stopped
T25 >> 1462697790.19962406 Redistribute coefs (0.23569s) started
T25 << 1462697790.22299600 Redistribute coefs (0.25906s) stopped
T25 >> 1462697790.22303605 Send coefs to domains (2.37660s) started
T25 << 1462697790.38869500 Send coefs to domains (2.54226s) stopped
T25 << 1462697790.38909888 Blacs Orbital Layouts (676.42142s) stopped
T25 >> 1462697790.38912797 Calculate projections (54.03577s) started
T25 << 1462697795.34272695 Calculate projections (58.98937s) stopped
T25 << 1462697795.34290099 LCAO eigensolver (839.09981s) stopped
T25 >> 1462697796.88320804 Density (174.60302s) started
T25 >> 1462697796.88322306 Pseudo density (140.17325s) started
T25 >> 1462697796.88524699 Calculate density matrix (121.24328s) started
T25 << 1462697807.87298489 Calculate density matrix (132.23102s) stopped
T25 >> 1462697807.87304091 Construct density (18.73268s) started
T25 << 1462697809.58170605 Construct density (20.44134s) stopped
T25 >> 1462697809.59574795 Symmetrize density (0.00083s) started
T25 << 1462697809.59579611 Symmetrize density (0.00088s) stopped
T25 << 1462697809.59808898 Pseudo density (152.88812s) stopped
T25 >> 1462697809.59814692 Atomic density matrices (28.67748s) started
T25 << 1462697812.20364809 Atomic density matrices (31.28299s) stopped
T25 >> 1462697812.20368099 Multipole moments (0.06615s) started
T25 << 1462697812.21072006 Multipole moments (0.07319s) stopped
T25 >> 1462697812.21074796 Normalize (0.08970s) started
T25 << 1462697812.22106099 Normalize (0.10001s) stopped
T25 >> 1462697812.22110891 Mix (5.59551s) started
T25 << 1462697812.77484703 Mix (6.14925s) stopped
T25 << 1462697812.77489305 Density (190.49470s) stopped
T25 >> 1462697812.77492499 Hamiltonian (618.20264s) started
T25 >> 1462697812.77494192 vbar (0.31013s) started
T25 << 1462697812.80450797 vbar (0.33969s) stopped
T25 >> 1462697812.80462599 XC 3D grid (324.28497s) started
T25 >> 1462697813.29891610 van der Waals (313.24540s) started
T25 >> 1462697813.43461895 semilocal (66.99170s) started
T25 << 1462697819.68526006 semilocal (73.24234s) stopped
T25 >> 1462697819.75011706 redistribute (32.26805s) started
T25 << 1462697820.65877795 redistribute (33.17671s) stopped
T25 >> 1462697820.65881991 libvdwxc nonlocal (211.66177s) started
T25 << 1462697839.26953912 libvdwxc nonlocal (230.27249s) stopped
T25 >> 1462697839.26960111 redistribute (33.17674s) started
T25 << 1462697841.12286592 redistribute (35.03000s) stopped
T25 << 1462697841.12531495 van der Waals (341.07180s) stopped
T25 << 1462697841.60491610 XC 3D grid (353.08526s) stopped
T25 >> 1462697841.60496092 Poisson (184.39231s) started
T25 << 1462697847.37659788 Poisson (190.16395s) stopped
T25 >> 1462697847.37668300 Hartree integrate/restrict (4.29745s) started
T25 << 1462697847.41779399 Hartree integrate/restrict (4.33856s) stopped
T25 >> 1462697847.41787195 Hartree integrate/restrict (4.33861s) started
T25 << 1462697847.75477099 Hartree integrate/restrict (4.67551s) stopped
T25 >> 1462697847.80393600 Atomic (84.52506s) started
T25 >> 1462697847.81318498 XC Correction (56.62625s) started
T25 << 1462697852.97170901 XC Correction (61.78477s) stopped
T25 << 1462697855.52321291 Atomic (92.24433s) stopped
T25 >> 1462697855.52333593 Communicate (19.83724s) started
T25 << 1462697857.30603004 Communicate (21.61993s) stopped
T25 << 1462697857.30605507 Hamiltonian (662.73377s) stopped
T25 >> 1462697857.30610204 LCAO eigensolver (839.09983s) started
T25 >> 1462697857.30611491 Potential matrix (29.20265s) started
T25 << 1462697859.74798703 Potential matrix (31.64452s) stopped
T25 >> 1462697859.74806595 DistributedAtomicCorrection (12.04831s) started
T25 << 1462697860.75346088 DistributedAtomicCorrection (13.05370s) stopped
T25 >> 1462697860.75351501 Distribute overlap matrix (62.36533s) started
T25 >> 1462697860.75353789 blocked summation (60.90723s) started
T25 << 1462697865.83607292 blocked summation (65.98976s) stopped
T25 >> 1462697865.84481096 Scalapack redistribute (1.34769s) started
T25 << 1462697865.95584202 Scalapack redistribute (1.45873s) stopped
T25 << 1462697865.95592690 Distribute overlap matrix (67.56774s) stopped
T25 >> 1462697865.96094990 Blacs Orbital Layouts (676.42144s) started
T25 >> 1462697865.96914005 General diagonalize (673.50526s) started
T25 << 1462697922.08107209 General diagonalize (729.61719s) stopped
T25 >> 1462697922.08112001 Redistribute coefs (0.25909s) started
T25 << 1462697922.09736705 Redistribute coefs (0.27534s) stopped
T25 >> 1462697922.09740901 Send coefs to domains (2.54230s) started
T25 << 1462697922.19340992 Send coefs to domains (2.63830s) stopped
T25 << 1462697922.19397211 Blacs Orbital Layouts (732.65446s) stopped
T25 >> 1462697922.19400001 Calculate projections (58.98943s) started
T25 << 1462697927.06259108 Calculate projections (63.85802s) stopped
T25 << 1462697927.06278801 LCAO eigensolver (908.85651s) stopped
T25 >> 1462697928.62304211 Density (190.49472s) started
T25 >> 1462697928.62306094 Pseudo density (152.88816s) started
T25 >> 1462697928.62426209 Calculate density matrix (132.23105s) started
T25 << 1462697939.70519090 Calculate density matrix (143.31198s) stopped
T25 >> 1462697939.70525002 Construct density (20.44138s) started
T25 << 1462697941.40653300 Construct density (22.14266s) stopped
T25 >> 1462697941.41925311 Symmetrize density (0.00089s) started
T25 << 1462697941.41930509 Symmetrize density (0.00095s) stopped
T25 << 1462697941.42135811 Pseudo density (165.68646s) stopped
T25 >> 1462697941.42141104 Atomic density matrices (31.28301s) started
T25 << 1462697944.03886390 Atomic density matrices (33.90046s) stopped
T25 >> 1462697944.03889608 Multipole moments (0.07320s) started
T25 << 1462697944.04601407 Multipole moments (0.08032s) stopped
T25 >> 1462697944.04604101 Normalize (0.10005s) started
T25 << 1462697944.05294991 Normalize (0.10696s) stopped
T25 >> 1462697944.05303192 Mix (6.14929s) started
T25 << 1462697944.64896297 Mix (6.74522s) stopped
T25 << 1462697944.64902091 Density (206.52070s) stopped
T25 >> 1462697944.64905691 Hamiltonian (662.73378s) started
T25 >> 1462697944.64907193 vbar (0.33976s) started
T25 << 1462697944.66594291 vbar (0.35663s) stopped
T25 >> 1462697944.66603303 XC 3D grid (353.08529s) started
T25 >> 1462697945.14686799 van der Waals (341.07189s) started
T25 >> 1462697945.28012705 semilocal (73.24243s) started
T25 << 1462697951.43313503 semilocal (79.39544s) stopped
T25 >> 1462697951.50719595 redistribute (35.03006s) started
T25 << 1462697952.53280091 redistribute (36.05567s) stopped
T25 >> 1462697952.53284788 libvdwxc nonlocal (230.27254s) started
T25 << 1462697972.10123491 libvdwxc nonlocal (249.84092s) stopped
T25 >> 1462697972.10128307 redistribute (36.05570s) started
T25 << 1462697973.68682003 redistribute (37.64124s) stopped
T25 << 1462697973.68838501 van der Waals (369.61341s) stopped
T25 << 1462697974.18380904 XC 3D grid (382.60307s) stopped
T25 >> 1462697974.18385506 Poisson (190.16401s) started
T25 << 1462697981.65314198 Poisson (197.63330s) stopped
T25 >> 1462697981.65319800 Hartree integrate/restrict (4.67554s) started
T25 << 1462697981.71559501 Hartree integrate/restrict (4.73794s) stopped
T25 >> 1462697981.71566200 Hartree integrate/restrict (4.73799s) started
T25 << 1462697982.03078008 Hartree integrate/restrict (5.05310s) stopped
T25 >> 1462697982.07660389 Atomic (92.24435s) started
T25 >> 1462697982.08570004 XC Correction (61.78479s) started
T25 << 1462697987.23209810 XC Correction (66.93119s) stopped
T25 << 1462697989.79775405 Atomic (99.96550s) stopped
T25 >> 1462697989.79784703 Communicate (21.61995s) started
T25 << 1462697991.56678796 Communicate (23.38889s) stopped
T25 << 1462697991.56681108 Hamiltonian (709.65154s) stopped
T25 >> 1462697991.56684709 LCAO eigensolver (908.85653s) started
T25 >> 1462697991.56685996 Potential matrix (31.64456s) started
T25 << 1462697994.00173903 Potential matrix (34.07944s) stopped
T25 >> 1462697994.00182509 DistributedAtomicCorrection (13.05374s) started
T25 << 1462697995.02323198 DistributedAtomicCorrection (14.07515s) stopped
T25 >> 1462697995.02327800 Distribute overlap matrix (67.56776s) started
T25 >> 1462697995.02329898 blocked summation (65.98980s) started
T25 << 1462698000.05830598 blocked summation (71.02481s) stopped
T25 >> 1462698000.06715798 Scalapack redistribute (1.45879s) started
T25 << 1462698000.17338991 Scalapack redistribute (1.56502s) stopped
T25 << 1462698000.17346692 Distribute overlap matrix (72.71795s) stopped
T25 >> 1462698000.17799902 Blacs Orbital Layouts (732.65448s) started
T25 >> 1462698000.18634605 General diagonalize (729.61723s) started
T25 << 1462698059.27953005 General diagonalize (788.71042s) stopped
T25 >> 1462698059.27957392 Redistribute coefs (0.27537s) started
T25 << 1462698059.30099106 Redistribute coefs (0.29679s) stopped
T25 >> 1462698059.30102992 Send coefs to domains (2.63834s) started
T25 << 1462698060.14461708 Send coefs to domains (3.48192s) stopped
T25 << 1462698060.14502692 Blacs Orbital Layouts (792.62151s) stopped
T25 >> 1462698060.14505601 Calculate projections (63.85807s) started
T25 << 1462698065.02082491 Calculate projections (68.73384s) stopped
T25 << 1462698065.02100110 LCAO eigensolver (982.31068s) stopped
T25 >> 1462698066.63702798 Density (206.52071s) started
T25 >> 1462698066.63704300 Pseudo density (165.68650s) started
T25 >> 1462698066.63830209 Calculate density matrix (143.31202s) started
T25 << 1462698077.68721390 Calculate density matrix (154.36093s) stopped
T25 >> 1462698077.68727207 Construct density (22.14271s) started
T25 << 1462698079.37507606 Construct density (23.83051s) stopped
T25 >> 1462698079.38740897 Symmetrize density (0.00096s) started
T25 << 1462698079.38746405 Symmetrize density (0.00102s) stopped
T25 << 1462698079.38951397 Pseudo density (178.43897s) stopped
T25 >> 1462698079.38956499 Atomic density matrices (33.90049s) started
T25 << 1462698082.00987911 Atomic density matrices (36.52080s) stopped
T25 >> 1462698082.00991106 Multipole moments (0.08034s) started
T25 << 1462698082.01783609 Multipole moments (0.08826s) stopped
T25 >> 1462698082.01786399 Normalize (0.10702s) started
T25 << 1462698082.02500606 Normalize (0.11417s) stopped
T25 >> 1462698082.02505898 Mix (6.74528s) started
T25 << 1462698082.65962005 Mix (7.37984s) stopped
T25 << 1462698082.65967703 Density (222.54336s) stopped
T25 >> 1462698082.65970707 Hamiltonian (709.65155s) started
T25 >> 1462698082.65972090 vbar (0.35668s) started
T25 << 1462698082.67613912 vbar (0.37310s) stopped
T25 >> 1462698082.67622709 XC 3D grid (382.60310s) started
T25 >> 1462698083.30429792 van der Waals (369.61350s) started
T25 >> 1462698083.40476489 semilocal (79.39554s) started
T25 << 1462698089.52193093 semilocal (85.51271s) stopped
T25 >> 1462698089.58188391 redistribute (37.64133s) started
T25 << 1462698090.48281097 redistribute (38.54225s) stopped
T25 >> 1462698090.48285699 libvdwxc nonlocal (249.84096s) started
T25 << 1462698110.02832699 libvdwxc nonlocal (269.38643s) stopped
T25 >> 1462698110.02837205 redistribute (38.54229s) started
T25 << 1462698111.73081303 redistribute (40.24473s) stopped
T25 << 1462698111.73307490 van der Waals (398.04227s) stopped
T25 << 1462698112.22255492 XC 3D grid (412.14943s) stopped
T25 >> 1462698112.22259593 Poisson (197.63334s) started
T25 << 1462698116.59641504 Poisson (202.00716s) stopped
T25 >> 1462698116.59649611 Hartree integrate/restrict (5.05314s) started
T25 << 1462698116.65185499 Hartree integrate/restrict (5.10850s) stopped
T25 >> 1462698116.65191603 Hartree integrate/restrict (5.10854s) started
T25 << 1462698116.97835803 Hartree integrate/restrict (5.43498s) stopped
T25 >> 1462698117.02846503 Atomic (99.96552s) started
T25 >> 1462698117.03756499 XC Correction (66.93121s) started
T25 << 1462698122.19855595 XC Correction (72.09220s) stopped
T25 << 1462698124.76629901 Atomic (107.70336s) stopped
T25 >> 1462698124.76639295 Communicate (23.38891s) started
T25 << 1462698126.55875611 Communicate (25.18127s) stopped
T25 << 1462698126.55878091 Hamiltonian (753.55062s) stopped
T25 >> 1462698126.55882001 LCAO eigensolver (982.31071s) started
T25 >> 1462698126.55883193 Potential matrix (34.07949s) started
T25 << 1462698128.98525500 Potential matrix (36.50591s) stopped
T25 >> 1462698128.98533893 DistributedAtomicCorrection (14.07519s) started
T25 << 1462698129.99073601 DistributedAtomicCorrection (15.08058s) stopped
T25 >> 1462698129.99078703 Distribute overlap matrix (72.71796s) started
T25 >> 1462698129.99080801 blocked summation (71.02484s) started
T25 << 1462698135.03648996 blocked summation (76.07052s) stopped
T25 >> 1462698135.04576397 Scalapack redistribute (1.56507s) started
T25 << 1462698135.14316511 Scalapack redistribute (1.66247s) stopped
T25 << 1462698135.14321899 Distribute overlap matrix (77.87039s) stopped
T25 >> 1462698135.14796090 Blacs Orbital Layouts (792.62153s) started
T25 >> 1462698135.15574002 General diagonalize (788.71045s) started
T25 << 1462698193.92768002 General diagonalize (847.48239s) stopped
T25 >> 1462698193.92772508 Redistribute coefs (0.29682s) started
T25 << 1462698193.95503712 Redistribute coefs (0.32413s) stopped
T25 >> 1462698193.95507693 Send coefs to domains (3.48197s) started
T25 << 1462698194.16125011 Send coefs to domains (3.68814s) stopped
T25 << 1462698194.16183591 Blacs Orbital Layouts (851.63540s) stopped
T25 >> 1462698194.16186595 Calculate projections (68.73390s) started
T25 << 1462698199.03856206 Calculate projections (73.61059s) stopped
T25 << 1462698199.03889704 LCAO eigensolver (1054.79078s) stopped
T25 >> 1462698200.93550491 Density (222.54337s) started
T25 >> 1462698200.93552089 Pseudo density (178.43902s) started
T25 >> 1462698200.93670702 Calculate density matrix (154.36097s) started
T25 << 1462698212.83631802 Calculate density matrix (166.26058s) stopped
T25 >> 1462698212.83637905 Construct density (23.83056s) started
T25 << 1462698214.53955412 Construct density (25.53374s) stopped
T25 >> 1462698214.55219698 Symmetrize density (0.00104s) started
T25 << 1462698214.55225611 Symmetrize density (0.00110s) stopped
T25 << 1462698214.55430198 Pseudo density (192.05780s) stopped
T25 >> 1462698214.55435610 Atomic density matrices (36.52083s) started
T25 << 1462698217.17212701 Atomic density matrices (39.13860s) stopped
T25 >> 1462698217.17215896 Multipole moments (0.08828s) started
T25 << 1462698217.17736506 Multipole moments (0.09349s) stopped
T25 >> 1462698217.17739391 Normalize (0.11421s) started
T25 << 1462698217.18458509 Normalize (0.12140s) stopped
T25 >> 1462698217.18462896 Mix (7.37989s) started
T25 << 1462698217.80278206 Mix (7.99804s) stopped
T25 << 1462698217.80285096 Density (239.41072s) stopped
T25 >> 1462698217.80288696 Hamiltonian (753.55064s) started
T25 >> 1462698217.80290294 vbar (0.37315s) started
T25 << 1462698217.82333112 vbar (0.39358s) stopped
T25 >> 1462698217.82342911 XC 3D grid (412.14946s) started
T25 >> 1462698218.43021703 van der Waals (398.04238s) started
T25 >> 1462698218.56266689 semilocal (85.51278s) started
T25 << 1462698224.50359988 semilocal (91.45371s) stopped
T25 >> 1462698224.60967112 redistribute (40.24485s) started
T25 << 1462698225.80177498 redistribute (41.43695s) stopped
T25 >> 1462698225.80183005 libvdwxc nonlocal (269.38646s) started
T25 << 1462698245.05841088 libvdwxc nonlocal (288.64304s) stopped
T25 >> 1462698245.05846500 redistribute (41.43699s) started
T25 << 1462698247.07976007 redistribute (43.45829s) stopped
T25 << 1462698247.08108497 van der Waals (426.69325s) stopped
T25 << 1462698247.60592890 XC 3D grid (441.93196s) stopped
T25 >> 1462698247.60597205 Poisson (202.00722s) started
T25 << 1462698251.94114304 Poisson (206.34239s) stopped
T25 >> 1462698251.94126892 Hartree integrate/restrict (5.43501s) started
T25 << 1462698251.97900891 Hartree integrate/restrict (5.47275s) stopped
T25 >> 1462698251.97914004 Hartree integrate/restrict (5.47285s) started
T25 << 1462698252.33275890 Hartree integrate/restrict (5.82647s) stopped
T25 >> 1462698252.38291407 Atomic (107.70338s) started
T25 >> 1462698252.39241409 XC Correction (72.09222s) started
T25 << 1462698257.56169200 XC Correction (77.26150s) stopped
T25 << 1462698260.10203791 Atomic (115.42250s) stopped
T25 >> 1462698260.10214591 Communicate (25.18129s) started
T25 << 1462698261.93343091 Communicate (27.01257s) stopped
T25 << 1462698261.93345594 Hamiltonian (797.68121s) stopped
T25 >> 1462698261.93349600 LCAO eigensolver (1054.79080s) started
T25 >> 1462698261.93350911 Potential matrix (36.50596s) started
T25 << 1462698264.35433292 Potential matrix (38.92679s) stopped
T25 >> 1462698264.35441208 DistributedAtomicCorrection (15.08062s) started
T25 << 1462698265.37520099 DistributedAtomicCorrection (16.10141s) stopped
T25 >> 1462698265.37525702 Distribute overlap matrix (77.87040s) started
T25 >> 1462698265.37527990 blocked summation (76.07055s) started
T25 << 1462698270.41404295 blocked summation (81.10932s) stopped
T25 >> 1462698270.42283010 Scalapack redistribute (1.66251s) started
T25 << 1462698270.52955389 Scalapack redistribute (1.76924s) stopped
T25 << 1462698270.52963209 Distribute overlap matrix (83.02478s) stopped
T25 >> 1462698270.53499699 Blacs Orbital Layouts (851.63542s) started
T25 >> 1462698270.54329491 General diagonalize (847.48243s) started
T25 << 1462698329.14675808 General diagonalize (906.08589s) stopped
T25 >> 1462698329.14680505 Redistribute coefs (0.32416s) started
T25 << 1462698329.16303110 Redistribute coefs (0.34039s) stopped
T25 >> 1462698329.16307306 Send coefs to domains (3.68818s) started
T25 << 1462698329.64958096 Send coefs to domains (4.17469s) stopped
T25 << 1462698329.65009403 Blacs Orbital Layouts (910.75052s) stopped
T25 >> 1462698329.65012407 Calculate projections (73.61065s) started
T25 << 1462698334.52797294 Calculate projections (78.48850s) stopped
T25 << 1462698334.52816892 LCAO eigensolver (1127.38548s) stopped
T25 >> 1462698336.13370109 Density (239.41074s) started
T25 >> 1462698336.13371706 Pseudo density (192.05784s) started
T25 >> 1462698336.13490701 Calculate density matrix (166.26062s) started
T25 << 1462698347.18933892 Calculate density matrix (177.31505s) stopped
T25 >> 1462698347.18939495 Construct density (25.53379s) started
T25 << 1462698348.89302206 Construct density (27.23741s) stopped
T25 >> 1462698348.90564299 Symmetrize density (0.00111s) started
T25 << 1462698348.90569401 Symmetrize density (0.00116s) stopped
T25 << 1462698348.90774894 Pseudo density (204.83187s) stopped
T25 >> 1462698348.90780091 Atomic density matrices (39.13862s) started
T25 << 1462698351.51037312 Atomic density matrices (41.74120s) stopped
T25 >> 1462698351.51040602 Multipole moments (0.09350s) started
T25 << 1462698351.51696110 Multipole moments (0.10006s) stopped
T25 >> 1462698351.51698899 Normalize (0.12143s) started
T25 << 1462698351.52418995 Normalize (0.12863s) stopped
T25 >> 1462698351.52426505 Mix (7.99811s) started
T25 << 1462698352.01489997 Mix (8.48875s) stopped
T25 << 1462698352.01495600 Density (255.29199s) stopped
T25 >> 1462698352.01499391 Hamiltonian (797.68122s) started
T25 >> 1462698352.01501203 vbar (0.39363s) started
T25 << 1462698352.04171109 vbar (0.42033s) stopped
T25 >> 1462698352.04184699 XC 3D grid (441.93200s) started
T25 >> 1462698352.54436207 van der Waals (426.69334s) started
T25 >> 1462698352.67832899 semilocal (91.45381s) started
T25 << 1462698358.85869789 semilocal (97.63418s) stopped
T25 >> 1462698358.92192888 redistribute (43.45838s) started
T25 << 1462698359.91515207 redistribute (44.45160s) stopped
T25 >> 1462698359.91519690 libvdwxc nonlocal (288.64308s) started
T25 << 1462698379.34142208 libvdwxc nonlocal (308.06931s) stopped
T25 >> 1462698379.34148097 redistribute (44.45164s) started
T25 << 1462698380.98265910 redistribute (46.09282s) stopped
T25 << 1462698380.98523998 van der Waals (455.13422s) stopped
T25 << 1462698381.46508193 XC 3D grid (471.35523s) stopped
T25 >> 1462698381.46512699 Poisson (206.34249s) started
T25 << 1462698385.92410302 Poisson (210.80147s) stopped
T25 >> 1462698385.92421889 Hartree integrate/restrict (5.82652s) started
T25 << 1462698385.96680689 Hartree integrate/restrict (5.86910s) stopped
T25 >> 1462698385.96695495 Hartree integrate/restrict (5.86921s) started
T25 << 1462698386.32119298 Hartree integrate/restrict (6.22344s) stopped
T25 >> 1462698386.36958194 Atomic (115.42252s) started
T25 >> 1462698386.37889910 XC Correction (77.26152s) started
T25 << 1462698391.55160403 XC Correction (82.43423s) stopped
T25 << 1462698394.09855890 Atomic (123.15149s) stopped
T25 >> 1462698394.09867311 Communicate (27.01259s) started
T25 << 1462698395.90208912 Communicate (28.81600s) stopped
T25 << 1462698395.90211391 Hamiltonian (841.56834s) stopped
T25 >> 1462698395.90215707 LCAO eigensolver (1127.38549s) started
T25 >> 1462698395.90217090 Potential matrix (38.92683s) started
T25 << 1462698398.33267689 Potential matrix (41.35734s) stopped
T25 >> 1462698398.33275509 DistributedAtomicCorrection (16.10145s) started
T25 << 1462698399.35314393 DistributedAtomicCorrection (17.12184s) stopped
T25 >> 1462698399.35319805 Distribute overlap matrix (83.02479s) started
T25 >> 1462698399.35322094 blocked summation (81.10935s) started
T25 << 1462698404.41368294 blocked summation (86.16981s) stopped
T25 >> 1462698404.42332411 Scalapack redistribute (1.76929s) started
T25 << 1462698404.52254796 Scalapack redistribute (1.86851s) stopped
T25 << 1462698404.52263904 Distribute overlap matrix (88.19423s) stopped
T25 >> 1462698404.52759504 Blacs Orbital Layouts (910.75054s) started
T25 >> 1462698404.53540397 General diagonalize (906.08593s) started
T25 << 1462698459.65521598 General diagonalize (961.20574s) stopped
T25 >> 1462698459.65526009 Redistribute coefs (0.34042s) started
T25 << 1462698459.67132998 Redistribute coefs (0.35649s) stopped
T25 >> 1462698459.67137599 Send coefs to domains (4.17474s) started
T25 << 1462698459.91095805 Send coefs to domains (4.41432s) stopped
T25 << 1462698459.91160107 Blacs Orbital Layouts (966.13454s) stopped
T25 >> 1462698459.91163111 Calculate projections (78.48855s) started
T25 << 1462698464.85800695 Calculate projections (83.43492s) stopped
T25 << 1462698464.85834098 LCAO eigensolver (1196.34168s) stopped
T25 << 1462698466.45641088 SCF-cycle (2320.57660s) stopped
T25 >> 1462698467.49814010 Force calculation (0.00000s) started
T25 >> 1462698467.49817109 LCAO forces (0.00000s) started
T25 >> 1462698467.49853301 Initial (0.00000s) started
T25 << 1462698467.49854493 Initial (0.00001s) stopped
T25 >> 1462698467.50339293 Get density matrix (0.00000s) started
T25 << 1462698476.89053202 Get density matrix (9.38714s) stopped
T25 >> 1462698476.89058805 Potential (0.00000s) started
T25 << 1462698489.79764009 Potential (12.90705s) stopped
T25 >> 1462698489.79769802 Get density matrix (9.38718s) started
T25 << 1462698516.13703203 Get density matrix (35.72652s) stopped
T25 >> 1462698516.13709593 Prepare TCI loop (0.00000s) started
T25 >> 1462698516.13754511 Get neighbors (0.00000s) started
T25 << 1462698518.03706908 Get neighbors (1.89953s) stopped
T25 >> 1462698518.03713298 broadcast dH (0.00000s) started
T25 << 1462698518.58976197 broadcast dH (0.55263s) stopped
T25 << 1462698518.58981395 Prepare TCI loop (2.45272s) stopped
T25 >> 1462698518.58983302 Not so complicated loop (0.00000s) started
T25 << 1462698528.23776603 Not so complicated loop (9.64793s) stopped
T25 >> 1462698528.33148599 Complicated loop (0.00000s) started
T25 << 1462698543.72161102 Complicated loop (15.39013s) stopped
T25 >> 1462698543.72179604 Wait for sum (0.00000s) started
T25 << 1462698543.72188592 Wait for sum (0.00009s) stopped
T25 << 1462698543.72189999 LCAO forces (76.22373s) stopped
T25 << 1462698552.72790408 Force calculation (85.22977s) stopped
T25 >> 1462698552.74452496 Initialization (120.29165s) started
T25 << 1462698552.74466705 Initialization (120.29179s) stopped
T25 >> 1462698552.74486089 Initialization (120.29181s) started
T25 << 1462698552.74497199 Initialization (120.29192s) stopped
T25 >> 1462698552.74509096 Initialization (120.29193s) started
T25 << 1462698552.74520111 Initialization (120.29204s) stopped
T25 >> 1462698576.09869909 Initialization (120.29206s) started
T25 >> 1462698576.35581303 Basic WFS set positions (0.08000s) started
T25 >> 1462698576.35583806 Redistribute (0.00000s) started
T25 << 1462698576.38101602 Redistribute (0.02518s) stopped
T25 << 1462698576.46194601 Basic WFS set positions (0.18613s) stopped
T25 >> 1462698576.46197605 Basis functions set positions (1.69578s) started
T25 << 1462698577.92502093 Basis functions set positions (3.15883s) stopped
T25 >> 1462698577.93980002 TCI: Calculate S, T, P (22.24240s) started
T25 << 1462698600.03156996 TCI: Calculate S, T, P (44.33417s) stopped
T25 >> 1462698600.03162909 blocked summation (12.72100s) started
T25 << 1462698611.04356790 blocked summation (23.73294s) stopped
T25 >> 1462698611.04807997 Scalapack redistribute (0.23762s) started
T25 << 1462698611.14614391 Scalapack redistribute (0.33568s) stopped
T25 >> 1462698611.14715004 blocked summation (23.73299s) started
T25 << 1462698612.48312902 blocked summation (25.06897s) stopped
T25 >> 1462698612.49407911 Scalapack redistribute (0.33572s) started
T25 << 1462698612.62475991 Scalapack redistribute (0.46640s) stopped
T25 >> 1462698612.62713099 Redistribute (0.00000s) started
T25 << 1462698612.62823200 Redistribute (0.00110s) stopped
T25 >> 1462698614.18701601 Redistribute (0.00112s) started
T25 << 1462698614.18799591 Redistribute (0.00210s) stopped
T25 >> 1462698614.22147012 LCAO WFS Initialize (73.37060s) started
T25 >> 1462698614.22149801 Density initialize from wavefunctions (0.00000s) started
T25 >> 1462698614.22476912 Calculate density matrix (0.00000s) started
T25 << 1462698625.13425589 Calculate density matrix (10.90949s) stopped
T25 >> 1462698625.13431597 Construct density (0.00000s) started
T25 << 1462698626.89275098 Construct density (1.75844s) stopped
T25 >> 1462698626.90561104 Symmetrize density (0.00001s) started
T25 << 1462698626.90567994 Symmetrize density (0.00007s) stopped
T25 << 1462698629.72833109 Density initialize from wavefunctions (15.50683s) stopped
T25 >> 1462698629.72866392 Hamiltonian (72.35382s) started
T25 >> 1462698629.72868395 vbar (0.02605s) started
T25 << 1462698629.75559807 vbar (0.05296s) stopped
T25 >> 1462698629.75569892 XC 3D grid (28.56857s) started
T25 >> 1462698630.30762291 van der Waals (27.58965s) started
T25 >> 1462698630.44599199 semilocal (6.30136s) started
T25 << 1462698636.65572596 semilocal (12.51109s) stopped
T25 >> 1462698636.71513295 redistribute (2.63387s) started
T25 << 1462698637.66700792 redistribute (3.58574s) stopped
T25 >> 1462698637.66705894 libvdwxc nonlocal (18.45794s) started
T25 << 1462698656.63648510 libvdwxc nonlocal (37.42737s) stopped
T25 >> 1462698656.63655400 redistribute (3.58577s) started
T25 << 1462698658.78833103 redistribute (5.73755s) stopped
T25 << 1462698658.79050493 van der Waals (56.07253s) stopped
T25 << 1462698659.27243710 XC 3D grid (58.08530s) stopped
T25 >> 1462698659.27247906 Poisson (33.65838s) started
T25 << 1462698673.69581294 Poisson (48.08172s) stopped
T25 >> 1462698673.69592595 Hartree integrate/restrict (0.44795s) started
T25 << 1462698673.73214412 Hartree integrate/restrict (0.48417s) stopped
T25 >> 1462698673.73226190 Hartree integrate/restrict (0.48426s) started
T25 << 1462698674.08918095 Hartree integrate/restrict (0.84118s) stopped
T25 >> 1462698674.14410591 Atomic (7.62019s) started
T25 >> 1462698674.15234995 XC Correction (5.44686s) started
T25 << 1462698678.71008492 XC Correction (10.00459s) stopped
T25 << 1462698682.77165008 Atomic (16.24773s) stopped
T25 >> 1462698682.77187991 Communicate (1.89071s) started
T25 << 1462698683.47891498 Communicate (2.59774s) stopped
T25 << 1462698683.47893906 Hamiltonian (126.10409s) stopped
T25 << 1462698683.47898412 LCAO WFS Initialize (142.62811s) stopped
T25 << 1462698683.49077392 Initialization (227.68414s) stopped
T25 >> 1462698683.51679897 SCF-cycle (2320.57663s) started
T25 >> 1462698683.51683307 LCAO eigensolver (1196.34170s) started
T25 >> 1462698683.51684594 Potential matrix (41.35738s) started
T25 << 1462698685.97132301 Potential matrix (43.81186s) stopped
T25 >> 1462698685.97140193 DistributedAtomicCorrection (17.12188s) started
T25 << 1462698687.01646996 DistributedAtomicCorrection (18.16695s) stopped
T25 >> 1462698687.01652789 Distribute overlap matrix (88.19424s) started
T25 >> 1462698687.01655197 blocked summation (86.16984s) started
T25 << 1462698691.89601302 blocked summation (91.04930s) stopped
T25 >> 1462698691.90568399 Scalapack redistribute (1.86858s) started
T25 << 1462698691.99746299 Scalapack redistribute (1.96036s) stopped
T25 << 1462698691.99755311 Distribute overlap matrix (93.17527s) stopped
T25 >> 1462698692.00177503 Blacs Orbital Layouts (966.13456s) started
T25 >> 1462698692.00961590 General diagonalize (961.20577s) started
T25 << 1462698750.93283510 General diagonalize (1020.12899s) stopped
T25 >> 1462698750.93288207 Redistribute coefs (0.35652s) started
T25 << 1462698750.94879007 Redistribute coefs (0.37243s) stopped
T25 >> 1462698750.94883394 Send coefs to domains (4.41439s) started
T25 << 1462698751.09077692 Send coefs to domains (4.55633s) stopped
T25 << 1462698751.09149790 Blacs Orbital Layouts (1025.22429s) stopped
T25 >> 1462698751.09153509 Calculate projections (83.43498s) started
T25 << 1462698755.76765800 Calculate projections (88.11111s) stopped
T25 << 1462698755.76803088 LCAO eigensolver (1268.59289s) stopped
T25 >> 1462698757.42963004 Density (255.29201s) started
T25 >> 1462698757.42964411 Pseudo density (204.83191s) started
T25 >> 1462698757.43630195 Calculate density matrix (177.31509s) started
T25 << 1462698768.08981395 Calculate density matrix (187.96860s) stopped
T25 >> 1462698768.08987498 Construct density (27.23747s) started
T25 << 1462698769.85424304 Construct density (29.00183s) stopped
T25 >> 1462698769.86824989 Symmetrize density (0.00118s) started
T25 << 1462698769.86830902 Symmetrize density (0.00124s) stopped
T25 << 1462698769.87062907 Pseudo density (217.27290s) stopped
T25 >> 1462698769.87071800 Atomic density matrices (41.74122s) started
T25 << 1462698772.35861301 Atomic density matrices (44.22912s) stopped
T25 >> 1462698772.35864711 Multipole moments (0.10008s) started
T25 << 1462698772.36612797 Multipole moments (0.10756s) stopped
T25 >> 1462698772.36615610 Normalize (0.12869s) started
T25 << 1462698772.37770200 Normalize (0.14024s) stopped
T25 >> 1462698772.37776589 Mix (8.48880s) started
T25 << 1462698772.85527492 Mix (8.96631s) stopped
T25 << 1462698772.85537291 Density (270.71775s) stopped
T25 >> 1462698772.85542202 Hamiltonian (841.56835s) started
T25 >> 1462698772.85543895 vbar (0.42041s) started
T25 << 1462698772.88621998 vbar (0.45119s) stopped
T25 >> 1462698772.88636899 XC 3D grid (471.35527s) started
T25 >> 1462698773.38498592 van der Waals (455.13428s) started
T25 >> 1462698773.51819992 semilocal (97.63428s) started
T25 << 1462698779.71825194 semilocal (103.83433s) stopped
T25 >> 1462698779.78255296 redistribute (46.09294s) started
T25 << 1462698780.71269989 redistribute (47.02309s) stopped
T25 >> 1462698780.71274400 libvdwxc nonlocal (308.06935s) started
T25 << 1462698799.64847398 libvdwxc nonlocal (327.00508s) stopped
T25 >> 1462698799.64851689 redistribute (47.02312s) started
T25 << 1462698801.39469409 redistribute (48.76930s) stopped
T25 << 1462698801.39670396 van der Waals (483.14600s) stopped
T25 << 1462698801.88316989 XC 3D grid (500.35207s) stopped
T25 >> 1462698801.88321400 Poisson (210.80155s) started
T25 << 1462698813.46232796 Poisson (222.38066s) stopped
T25 >> 1462698813.46242309 Hartree integrate/restrict (6.22348s) started
T25 << 1462698813.51139307 Hartree integrate/restrict (6.27245s) stopped
T25 >> 1462698813.51143789 Hartree integrate/restrict (6.27248s) started
T25 << 1462698813.84238911 Hartree integrate/restrict (6.60343s) stopped
T25 >> 1462698813.89147091 Atomic (123.15151s) started
T25 >> 1462698813.89957309 XC Correction (82.43425s) started
T25 << 1462698818.33305597 XC Correction (86.86773s) stopped
T25 << 1462698822.20564294 Atomic (131.46569s) stopped
T25 >> 1462698822.20575500 Communicate (28.81602s) started
T25 << 1462698823.08661795 Communicate (29.69688s) stopped
T25 << 1462698823.08664393 Hamiltonian (891.79957s) stopped
T25 >> 1462698823.08668804 LCAO eigensolver (1268.59292s) started
T25 >> 1462698823.08670092 Potential matrix (43.81190s) started
T25 << 1462698825.56106997 Potential matrix (46.28627s) stopped
T25 >> 1462698825.56114197 DistributedAtomicCorrection (18.16699s) started
T25 << 1462698826.58767390 DistributedAtomicCorrection (19.19352s) stopped
T25 >> 1462698826.58772993 Distribute overlap matrix (93.17528s) started
T25 >> 1462698826.58775091 blocked summation (91.04933s) started
T25 << 1462698831.44112897 blocked summation (95.90271s) stopped
T25 >> 1462698831.45046496 Scalapack redistribute (1.96041s) started
T25 << 1462698831.55568695 Scalapack redistribute (2.06564s) stopped
T25 << 1462698831.55577803 Distribute overlap matrix (98.14333s) stopped
T25 >> 1462698831.56127596 Blacs Orbital Layouts (1025.22431s) started
T25 >> 1462698831.56911993 General diagonalize (1020.12903s) started
T25 << 1462698886.30055189 General diagonalize (1074.86046s) stopped
T25 >> 1462698886.30060291 Redistribute coefs (0.37246s) started
T25 << 1462698886.31595707 Redistribute coefs (0.38782s) stopped
T25 >> 1462698886.31600094 Send coefs to domains (4.55637s) started
T25 << 1462698886.41817307 Send coefs to domains (4.65855s) stopped
T25 << 1462698886.41863108 Blacs Orbital Layouts (1080.08166s) stopped
T25 >> 1462698886.41865993 Calculate projections (88.11116s) started
T25 << 1462698891.09539509 Calculate projections (92.78789s) stopped
T25 << 1462698891.09571505 LCAO eigensolver (1336.60194s) stopped
T25 >> 1462698892.76964307 Density (270.71777s) started
T25 >> 1462698892.76965904 Pseudo density (217.27298s) started
T25 >> 1462698892.77466011 Calculate density matrix (187.96864s) started
T25 << 1462698903.58748794 Calculate density matrix (198.78147s) stopped
T25 >> 1462698903.58754706 Construct density (29.00189s) started
T25 << 1462698905.35554004 Construct density (30.76988s) stopped
T25 >> 1462698905.37115097 Symmetrize density (0.00126s) started
T25 << 1462698905.37120700 Symmetrize density (0.00131s) stopped
T25 << 1462698905.37353396 Pseudo density (229.87685s) stopped
T25 >> 1462698905.37358689 Atomic density matrices (44.22914s) started
T25 << 1462698907.84260106 Atomic density matrices (46.69816s) stopped
T25 >> 1462698907.84263396 Multipole moments (0.10758s) started
T25 << 1462698907.85134506 Multipole moments (0.11629s) stopped
T25 >> 1462698907.85137296 Normalize (0.14028s) started
T25 << 1462698907.86058593 Normalize (0.14950s) stopped
T25 >> 1462698907.86063910 Mix (8.96641s) started
T25 << 1462698908.31198907 Mix (9.41776s) stopped
T25 << 1462698908.31210399 Density (286.26023s) stopped
T25 >> 1462698908.31216192 Hamiltonian (891.79959s) started
T25 >> 1462698908.31218004 vbar (0.45128s) started
T25 << 1462698908.33933806 vbar (0.47844s) stopped
T25 >> 1462698908.33946490 XC 3D grid (500.35210s) started
T25 >> 1462698908.96937990 van der Waals (483.14609s) started
T25 >> 1462698909.02319503 semilocal (103.83444s) started
T25 << 1462698915.16835999 semilocal (109.97961s) stopped
T25 >> 1462698915.23233509 redistribute (48.76941s) started
T25 << 1462698916.19137502 redistribute (49.72845s) stopped
T25 >> 1462698916.19141793 libvdwxc nonlocal (327.00512s) started
T25 << 1462698935.15174103 libvdwxc nonlocal (345.96544s) stopped
T25 >> 1462698935.15180707 redistribute (49.72848s) started
T25 << 1462698936.93386889 redistribute (51.51054s) stopped
T25 << 1462698936.93616104 van der Waals (511.11287s) stopped
T25 << 1462698937.41884208 XC 3D grid (529.43148s) stopped
T25 >> 1462698937.41888499 Poisson (222.38074s) started
T25 << 1462698947.28412509 Poisson (232.24598s) stopped
T25 >> 1462698947.28424597 Hartree integrate/restrict (6.60347s) started
T25 << 1462698947.33352709 Hartree integrate/restrict (6.65275s) stopped
T25 >> 1462698947.33359694 Hartree integrate/restrict (6.65280s) started
T25 << 1462698947.66037607 Hartree integrate/restrict (6.97958s) stopped
T25 >> 1462698947.71001697 Atomic (131.46570s) started
T25 >> 1462698947.71820092 XC Correction (86.86775s) started
T25 << 1462698952.14921093 XC Correction (91.29876s) stopped
T25 << 1462698956.07108402 Atomic (139.82677s) stopped
T25 >> 1462698956.07119489 Communicate (29.69690s) started
T25 << 1462698956.95811296 Communicate (30.58382s) stopped
T25 << 1462698956.95813608 Hamiltonian (940.44556s) stopped
T25 >> 1462698956.95817900 LCAO eigensolver (1336.60196s) started
T25 >> 1462698956.95819092 Potential matrix (46.28631s) started
T25 << 1462698959.42580295 Potential matrix (48.75392s) stopped
T25 >> 1462698959.42587209 DistributedAtomicCorrection (19.19355s) started
T25 << 1462698960.43757010 DistributedAtomicCorrection (20.20525s) stopped
T25 >> 1462698960.43762398 Distribute overlap matrix (98.14334s) started
T25 >> 1462698960.43764496 blocked summation (95.90275s) started
T25 << 1462698965.33537793 blocked summation (100.80048s) stopped
T25 >> 1462698965.34467506 Scalapack redistribute (2.06570s) started
T25 << 1462698965.46834397 Scalapack redistribute (2.18937s) stopped
T25 << 1462698965.46841788 Distribute overlap matrix (103.17414s) stopped
T25 >> 1462698965.47340989 Blacs Orbital Layouts (1080.08168s) started
T25 >> 1462698965.48130894 General diagonalize (1074.86050s) started
T25 << 1462699018.02880812 General diagonalize (1127.40800s) stopped
T25 >> 1462699018.02885890 Redistribute coefs (0.38785s) started
T25 << 1462699018.04473591 Redistribute coefs (0.40373s) stopped
T25 >> 1462699018.04477692 Send coefs to domains (4.65858s) started
T25 << 1462699018.19613791 Send coefs to domains (4.80994s) stopped
T25 << 1462699018.19660306 Blacs Orbital Layouts (1132.80488s) stopped
T25 >> 1462699018.19663095 Calculate projections (92.78795s) started
T25 << 1462699022.89027596 Calculate projections (97.48159s) stopped
T25 << 1462699022.89059091 LCAO eigensolver (1402.53437s) stopped
T25 >> 1462699024.69702196 Density (286.26025s) started
T25 >> 1462699024.69703698 Pseudo density (229.87689s) started
T25 >> 1462699024.70217609 Calculate density matrix (198.78151s) started
T25 << 1462699035.33277106 Calculate density matrix (209.41210s) stopped
T25 >> 1462699035.33282590 Construct density (30.76993s) started
T25 << 1462699037.09431291 Construct density (32.53142s) stopped
T25 >> 1462699037.10968709 Symmetrize density (0.00133s) started
T25 << 1462699037.10973310 Symmetrize density (0.00137s) stopped
T25 << 1462699037.11210489 Pseudo density (242.29196s) stopped
T25 >> 1462699037.11214805 Atomic density matrices (46.69818s) started
T25 << 1462699039.55385208 Atomic density matrices (49.13988s) stopped
T25 >> 1462699039.55388498 Multipole moments (0.11631s) started
T25 << 1462699039.56175804 Multipole moments (0.12418s) stopped
T25 >> 1462699039.56178594 Normalize (0.14954s) started
T25 << 1462699039.57116890 Normalize (0.15892s) stopped
T25 >> 1462699039.57121801 Mix (9.41787s) started
T25 << 1462699040.03238511 Mix (9.87903s) stopped
T25 << 1462699040.03249693 Density (301.59572s) stopped
T25 >> 1462699040.03255796 Hamiltonian (940.44557s) started
T25 >> 1462699040.03257799 vbar (0.47850s) started
T25 << 1462699040.06623411 vbar (0.51216s) stopped
T25 >> 1462699040.06638789 XC 3D grid (529.43152s) started
T25 >> 1462699040.57617593 van der Waals (511.11299s) started
T25 >> 1462699040.70952201 semilocal (109.97967s) started
T25 << 1462699046.89899492 semilocal (116.16915s) stopped
T25 >> 1462699046.96191096 redistribute (51.51066s) started
T25 << 1462699047.92777205 redistribute (52.47653s) stopped
T25 >> 1462699047.92781591 libvdwxc nonlocal (345.96549s) started
T25 << 1462699067.38652802 libvdwxc nonlocal (365.42420s) stopped
T25 >> 1462699067.38659096 redistribute (52.47656s) started
T25 << 1462699068.98621893 redistribute (54.07619s) stopped
T25 << 1462699068.98817801 van der Waals (539.52499s) stopped
T25 << 1462699069.47714210 XC 3D grid (558.84227s) stopped
T25 >> 1462699069.47718596 Poisson (232.24607s) started
T25 << 1462699078.17950106 Poisson (240.94839s) stopped
T25 >> 1462699078.17956901 Hartree integrate/restrict (6.97963s) started
T25 << 1462699078.24385905 Hartree integrate/restrict (7.04392s) stopped
T25 >> 1462699078.24391508 Hartree integrate/restrict (7.04396s) started
T25 << 1462699078.56108594 Hartree integrate/restrict (7.36113s) stopped
T25 >> 1462699078.61066389 Atomic (139.82679s) started
T25 >> 1462699078.61862612 XC Correction (91.29879s) started
T25 << 1462699083.05013490 XC Correction (95.73029s) stopped
T25 << 1462699087.00144601 Atomic (148.21757s) stopped
T25 >> 1462699087.00156093 Communicate (30.58383s) started
T25 << 1462699087.90445304 Communicate (31.48672s) stopped
T25 << 1462699087.90447593 Hamiltonian (988.31749s) stopped
T25 >> 1462699087.90451908 LCAO eigensolver (1402.53439s) started
T25 >> 1462699087.90453196 Potential matrix (48.75396s) started
T25 << 1462699090.35597610 Potential matrix (51.20541s) stopped
T25 >> 1462699090.35605001 DistributedAtomicCorrection (20.20529s) started
T25 << 1462699091.38035893 DistributedAtomicCorrection (21.22960s) stopped
T25 >> 1462699091.38041210 Distribute overlap matrix (103.17415s) started
T25 >> 1462699091.38043308 blocked summation (100.80051s) started
T25 << 1462699096.21753097 blocked summation (105.63761s) stopped
T25 >> 1462699096.22686911 Scalapack redistribute (2.18942s) started
T25 << 1462699096.33119202 Scalapack redistribute (2.29374s) stopped
T25 << 1462699096.33127904 Distribute overlap matrix (108.12502s) stopped
T25 >> 1462699096.33688688 Blacs Orbital Layouts (1132.80489s) started
T25 >> 1462699096.34493089 General diagonalize (1127.40804s) started
T25 << 1462699150.79798889 General diagonalize (1181.86110s) stopped
T25 >> 1462699150.79804897 Redistribute coefs (0.40376s) started
T25 << 1462699150.81408405 Redistribute coefs (0.41980s) stopped
T25 >> 1462699150.81412601 Send coefs to domains (4.80998s) started
T25 << 1462699150.90958095 Send coefs to domains (4.90543s) stopped
T25 << 1462699150.91012907 Blacs Orbital Layouts (1187.37814s) stopped
T25 >> 1462699150.91015697 Calculate projections (97.48165s) started
T25 << 1462699155.59426093 Calculate projections (102.16575s) stopped
T25 << 1462699155.59444094 LCAO eigensolver (1470.22431s) stopped
T25 >> 1462699157.92559290 Density (301.59574s) started
T25 >> 1462699157.92560697 Pseudo density (242.29199s) started
T25 >> 1462699157.93020391 Calculate density matrix (209.41214s) started
T25 << 1462699167.90864491 Calculate density matrix (219.39058s) stopped
T25 >> 1462699167.90870094 Construct density (32.53148s) started
T25 << 1462699169.66977501 Construct density (34.29255s) stopped
T25 >> 1462699169.68504500 Symmetrize density (0.00139s) started
T25 << 1462699169.68510008 Symmetrize density (0.00145s) stopped
T25 << 1462699169.68745089 Pseudo density (254.05384s) stopped
T25 >> 1462699169.68750691 Atomic density matrices (49.13991s) started
T25 << 1462699172.15860510 Atomic density matrices (51.61101s) stopped
T25 >> 1462699172.15863705 Multipole moments (0.12420s) started
T25 << 1462699172.16615701 Multipole moments (0.13172s) stopped
T25 >> 1462699172.16618490 Normalize (0.15895s) started
T25 << 1462699172.17403007 Normalize (0.16680s) stopped
T25 >> 1462699172.17407393 Mix (9.87914s) started
T25 << 1462699172.65098810 Mix (10.35605s) stopped
T25 << 1462699172.65108800 Density (316.32124s) stopped
T25 >> 1462699172.65114689 Hamiltonian (988.31751s) started
T25 >> 1462699172.65116501 vbar (0.51225s) started
T25 << 1462699172.68221211 vbar (0.54330s) stopped
T25 >> 1462699172.68234801 XC 3D grid (558.84230s) started
T25 >> 1462699173.18940401 van der Waals (539.52509s) started
T25 >> 1462699173.32156491 semilocal (116.16924s) started
T25 << 1462699179.46528006 semilocal (122.31295s) stopped
T25 >> 1462699179.53752589 redistribute (54.07630s) started
T25 << 1462699180.52626300 redistribute (55.06504s) stopped
T25 >> 1462699180.52630901 libvdwxc nonlocal (365.42425s) started
T25 << 1462699199.42020202 libvdwxc nonlocal (384.31814s) stopped
T25 >> 1462699199.42026997 redistribute (55.06507s) started
T25 << 1462699201.06681991 redistribute (56.71162s) stopped
T25 << 1462699201.06826711 van der Waals (567.40395s) stopped
T25 << 1462699201.55937004 XC 3D grid (587.71933s) stopped
T25 >> 1462699201.55941391 Poisson (240.94844s) started
T25 << 1462699205.95155001 Poisson (245.34058s) stopped
T25 >> 1462699205.95161200 Hartree integrate/restrict (7.36117s) started
T25 << 1462699206.00856209 Hartree integrate/restrict (7.41812s) stopped
T25 >> 1462699206.00864291 Hartree integrate/restrict (7.41817s) started
T25 << 1462699206.32553601 Hartree integrate/restrict (7.73506s) stopped
T25 >> 1462699206.37510705 Atomic (148.21759s) started
T25 >> 1462699206.38301706 XC Correction (95.73031s) started
T25 << 1462699210.80484390 XC Correction (100.15214s) stopped
T25 << 1462699214.77407503 Atomic (156.61656s) stopped
T25 >> 1462699214.77419710 Communicate (31.48674s) started
T25 << 1462699215.60328507 Communicate (32.31583s) stopped
T25 << 1462699215.60330892 Hamiltonian (1031.26967s) stopped
T25 >> 1462699215.60335302 LCAO eigensolver (1470.22433s) started
T25 >> 1462699215.60336494 Potential matrix (51.20545s) started
T25 << 1462699218.06197810 Potential matrix (53.66406s) stopped
T25 >> 1462699218.06205010 DistributedAtomicCorrection (21.22963s) started
T25 << 1462699219.10287905 DistributedAtomicCorrection (22.27046s) stopped
T25 >> 1462699219.10293508 Distribute overlap matrix (108.12503s) started
T25 >> 1462699219.10295701 blocked summation (105.63765s) started
T25 << 1462699223.94104099 blocked summation (110.47573s) stopped
T25 >> 1462699223.94974804 Scalapack redistribute (2.29380s) started
T25 << 1462699224.05445600 Scalapack redistribute (2.39851s) stopped
T25 << 1462699224.05451703 Distribute overlap matrix (113.07661s) stopped
T25 >> 1462699224.05980206 Blacs Orbital Layouts (1187.37815s) started
T25 >> 1462699224.06766796 General diagonalize (1181.86115s) started
T25 << 1462699276.74312091 General diagonalize (1234.53660s) stopped
T25 >> 1462699276.74317002 Redistribute coefs (0.41983s) started
T25 << 1462699276.75880909 Redistribute coefs (0.43547s) stopped
T25 >> 1462699276.75886607 Send coefs to domains (4.90547s) started
T25 << 1462699276.83932304 Send coefs to domains (4.98593s) stopped
T25 << 1462699276.83979201 Blacs Orbital Layouts (1240.15814s) stopped
T25 >> 1462699276.83982611 Calculate projections (102.16580s) started
T25 << 1462699281.51352096 Calculate projections (106.83950s) stopped
T25 << 1462699281.51369691 LCAO eigensolver (1536.13468s) stopped
T25 >> 1462699283.18510795 Density (316.32126s) started
T25 >> 1462699283.18512297 Pseudo density (254.05388s) started
T25 >> 1462699283.19090605 Calculate density matrix (219.39062s) started
T25 << 1462699293.85072494 Calculate density matrix (230.05044s) stopped
T25 >> 1462699293.85078096 Construct density (34.29259s) started
T25 << 1462699295.61102200 Construct density (36.05283s) stopped
T25 >> 1462699295.62473512 Symmetrize density (0.00146s) started
T25 << 1462699295.62479091 Symmetrize density (0.00152s) stopped
T25 << 1462699295.62715101 Pseudo density (266.49591s) stopped
T25 >> 1462699295.62720704 Atomic density matrices (51.61103s) started
T25 << 1462699298.11387300 Atomic density matrices (54.09770s) stopped
T25 >> 1462699298.11390591 Multipole moments (0.13173s) started
T25 << 1462699298.12177396 Multipole moments (0.13960s) stopped
T25 >> 1462699298.12180209 Normalize (0.16683s) started
T25 << 1462699298.13207412 Normalize (0.17710s) stopped
T25 >> 1462699298.13214493 Mix (10.35615s) started
T25 << 1462699298.67084098 Mix (10.89485s) stopped
T25 << 1462699298.67095900 Density (331.80711s) stopped
T25 >> 1462699298.67102289 Hamiltonian (1031.26968s) started
T25 >> 1462699298.67104006 vbar (0.54338s) started
T25 << 1462699298.70339489 vbar (0.57573s) stopped
T25 >> 1462699298.70354009 XC 3D grid (587.71936s) started
T25 >> 1462699299.21692300 van der Waals (567.40402s) started
T25 >> 1462699299.35322094 semilocal (122.31302s) started
T25 << 1462699305.50783992 semilocal (128.46764s) stopped
T25 >> 1462699305.57674408 redistribute (56.71171s) started
T25 << 1462699306.57939601 redistribute (57.71436s) stopped
T25 >> 1462699306.57944012 libvdwxc nonlocal (384.31819s) started
T25 << 1462699326.05943894 libvdwxc nonlocal (403.79819s) stopped
T25 >> 1462699326.05950093 redistribute (57.71439s) started
T25 << 1462699327.66553402 redistribute (59.32043s) stopped
T25 << 1462699327.66736102 van der Waals (595.85446s) stopped
T25 << 1462699328.15874100 XC 3D grid (617.17456s) stopped
T25 >> 1462699328.15878105 Poisson (245.34062s) started
T25 << 1462699334.06804204 Poisson (251.24988s) stopped
T25 >> 1462699334.06812096 Hartree integrate/restrict (7.73513s) started
T25 << 1462699334.13179493 Hartree integrate/restrict (7.79880s) stopped
T25 >> 1462699334.13185406 Hartree integrate/restrict (7.79884s) started
T25 << 1462699334.44900393 Hartree integrate/restrict (8.11599s) stopped
T25 >> 1462699334.49912596 Atomic (156.61658s) started
T25 >> 1462699334.50704408 XC Correction (100.15216s) started
T25 << 1462699338.82022905 XC Correction (104.46535s) stopped
T25 << 1462699342.81300807 Atomic (164.93046s) stopped
T25 >> 1462699342.81312704 Communicate (32.31584s) started
T25 << 1462699343.57273412 Communicate (33.07545s) stopped
T25 << 1462699343.57275891 Hamiltonian (1076.17142s) stopped
T25 >> 1462699343.57280302 LCAO eigensolver (1536.13469s) started
T25 >> 1462699343.57281494 Potential matrix (53.66410s) started
T25 << 1462699346.03624606 Potential matrix (56.12754s) stopped
T25 >> 1462699346.03633094 DistributedAtomicCorrection (22.27049s) started
T25 << 1462699347.05760407 DistributedAtomicCorrection (23.29177s) stopped
T25 >> 1462699347.05765700 Distribute overlap matrix (113.07662s) started
T25 >> 1462699347.05767703 blocked summation (110.47577s) started
T25 << 1462699351.90912199 blocked summation (115.32721s) stopped
T25 >> 1462699351.91903210 Scalapack redistribute (2.39855s) started
T25 << 1462699352.04752994 Scalapack redistribute (2.52705s) stopped
T25 << 1462699352.04761910 Distribute overlap matrix (118.06659s) stopped
T25 >> 1462699352.05296803 Blacs Orbital Layouts (1240.15816s) started
T25 >> 1462699352.06142998 General diagonalize (1234.53664s) started
T25 << 1462699406.54712009 General diagonalize (1289.02233s) stopped
T25 >> 1462699406.54717112 Redistribute coefs (0.43551s) started
T25 << 1462699406.56272602 Redistribute coefs (0.45107s) stopped
T25 >> 1462699406.56276989 Send coefs to domains (4.98597s) started
T25 << 1462699406.64896107 Send coefs to domains (5.07216s) stopped
T25 << 1462699406.64946508 Blacs Orbital Layouts (1294.75466s) stopped
T25 >> 1462699406.64949298 Calculate projections (106.83955s) started
T25 << 1462699411.31505704 Calculate projections (111.50511s) stopped
T25 << 1462699411.31535912 LCAO eigensolver (1603.87725s) stopped
T25 >> 1462699413.00247312 Density (331.80713s) started
T25 >> 1462699413.00249195 Pseudo density (266.49595s) started
T25 >> 1462699413.00717998 Calculate density matrix (230.05048s) started
T25 << 1462699423.61170197 Calculate density matrix (240.65500s) stopped
T25 >> 1462699423.61175704 Construct density (36.05288s) started
T25 << 1462699425.36485100 Construct density (37.80597s) stopped
T25 >> 1462699425.38002205 Symmetrize density (0.00153s) started
T25 << 1462699425.38007593 Symmetrize density (0.00159s) stopped
T25 << 1462699425.38242793 Pseudo density (278.87589s) stopped
T25 >> 1462699425.38248205 Atomic density matrices (54.09772s) started
T25 << 1462699427.87858391 Atomic density matrices (56.59383s) stopped
T25 >> 1462699427.87861609 Multipole moments (0.13962s) started
T25 << 1462699427.88437605 Multipole moments (0.14538s) stopped
T25 >> 1462699427.88440394 Normalize (0.17716s) started
T25 << 1462699427.89467692 Normalize (0.18743s) stopped
T25 >> 1462699427.89474797 Mix (10.89496s) started
T25 << 1462699428.45508409 Mix (11.45530s) stopped
T25 << 1462699428.45518994 Density (347.25985s) stopped
T25 >> 1462699428.45524406 Hamiltonian (1076.17143s) started
T25 >> 1462699428.45526195 vbar (0.57582s) started
T25 << 1462699428.48504901 vbar (0.60560s) stopped
T25 >> 1462699428.48517394 XC 3D grid (617.17460s) started
T25 >> 1462699428.98513794 van der Waals (595.85451s) started
T25 >> 1462699429.11931300 semilocal (128.46773s) started
T25 << 1462699435.36065602 semilocal (134.70907s) stopped
T25 >> 1462699435.42863011 redistribute (59.32047s) started
T25 << 1462699436.37531400 redistribute (60.26716s) stopped
T25 >> 1462699436.37535810 libvdwxc nonlocal (403.79824s) started
T25 << 1462699455.38429594 libvdwxc nonlocal (422.80718s) stopped
T25 >> 1462699455.38436198 redistribute (60.26719s) started
T25 << 1462699457.02996802 redistribute (61.91280s) stopped
T25 << 1462699457.03163004 van der Waals (623.90100s) stopped
T25 << 1462699457.52240300 XC 3D grid (646.21183s) stopped
T25 >> 1462699457.52244997 Poisson (251.24994s) started
T25 << 1462699461.87082791 Poisson (255.59832s) stopped
T25 >> 1462699461.87089300 Hartree integrate/restrict (8.11605s) started
T25 << 1462699461.92647910 Hartree integrate/restrict (8.17164s) stopped
T25 >> 1462699461.92652988 Hartree integrate/restrict (8.17167s) started
T25 << 1462699462.24750710 Hartree integrate/restrict (8.49265s) stopped
T25 >> 1462699462.29759097 Atomic (164.93048s) started
T25 >> 1462699462.30564904 XC Correction (104.46537s) started
T25 << 1462699466.63748693 XC Correction (108.79721s) stopped
T25 << 1462699470.55627704 Atomic (173.18916s) stopped
T25 >> 1462699470.55639911 Communicate (33.07547s) started
T25 << 1462699471.32218909 Communicate (33.84126s) stopped
T25 << 1462699471.32221508 Hamiltonian (1119.03840s) stopped
T25 >> 1462699471.32225895 LCAO eigensolver (1603.87727s) started
T25 >> 1462699471.32227111 Potential matrix (56.12759s) started
T25 << 1462699473.79347992 Potential matrix (58.59879s) stopped
T25 >> 1462699473.79356790 DistributedAtomicCorrection (23.29180s) started
T25 << 1462699474.80413294 DistributedAtomicCorrection (24.30236s) stopped
T25 >> 1462699474.80418706 Distribute overlap matrix (118.06660s) started
T25 >> 1462699474.80420899 blocked summation (115.32725s) started
T25 << 1462699479.65772295 blocked summation (120.18076s) stopped
T25 >> 1462699479.66636801 Scalapack redistribute (2.52711s) started
T25 << 1462699479.81136608 Scalapack redistribute (2.67211s) stopped
T25 << 1462699479.81148601 Distribute overlap matrix (123.07390s) stopped
T25 >> 1462699479.81934094 Blacs Orbital Layouts (1294.75468s) started
T25 >> 1462699479.83052707 General diagonalize (1289.02237s) started
T25 << 1462699535.03334689 General diagonalize (1344.22519s) stopped
T25 >> 1462699535.03341007 Redistribute coefs (0.45110s) started
T25 << 1462699535.04744911 Redistribute coefs (0.46514s) stopped
T25 >> 1462699535.04749203 Send coefs to domains (5.07220s) started
T25 << 1462699535.15509892 Send coefs to domains (5.17980s) stopped
T25 << 1462699535.15568805 Blacs Orbital Layouts (1350.09103s) stopped
T25 >> 1462699535.15571594 Calculate projections (111.50517s) started
T25 << 1462699539.83509707 Calculate projections (116.18455s) stopped
T25 << 1462699539.83527994 LCAO eigensolver (1672.39029s) stopped
T25 >> 1462699541.49415708 Density (347.25987s) started
T25 >> 1462699541.49417210 Pseudo density (278.87593s) started
T25 >> 1462699541.49938011 Calculate density matrix (240.65503s) started
T25 << 1462699552.15905809 Calculate density matrix (251.31471s) stopped
T25 >> 1462699552.15911198 Construct density (37.80602s) started
T25 << 1462699553.93681502 Construct density (39.58372s) stopped
T25 >> 1462699553.95245290 Symmetrize density (0.00161s) started
T25 << 1462699553.95250797 Symmetrize density (0.00166s) stopped
T25 << 1462699553.95484900 Pseudo density (291.33661s) stopped
T25 >> 1462699553.95490503 Atomic density matrices (56.59385s) started
T25 << 1462699556.41252708 Atomic density matrices (59.05147s) stopped
T25 >> 1462699556.41255999 Multipole moments (0.14540s) started
T25 << 1462699556.41936898 Multipole moments (0.15220s) stopped
T25 >> 1462699556.41939712 Normalize (0.18749s) started
T25 << 1462699556.42824888 Normalize (0.19634s) stopped
T25 >> 1462699556.42830992 Mix (11.45540s) started
T25 << 1462699556.94059896 Mix (11.96769s) stopped
T25 << 1462699556.94068599 Density (362.70640s) stopped
T25 >> 1462699556.94073296 Hamiltonian (1119.03842s) started
T25 >> 1462699556.94074988 vbar (0.60568s) started
T25 << 1462699556.97168398 vbar (0.63661s) stopped
T25 >> 1462699556.97181201 XC 3D grid (646.21186s) started
T25 >> 1462699557.47530890 van der Waals (623.90109s) started
T25 >> 1462699557.60474205 semilocal (134.70912s) started
T25 << 1462699563.78695393 semilocal (140.89133s) stopped
T25 >> 1462699563.85457802 redistribute (61.91286s) started
T25 << 1462699564.90647101 redistribute (62.96476s) stopped
T25 >> 1462699564.90651488 libvdwxc nonlocal (422.80723s) started
T25 << 1462699583.82278705 libvdwxc nonlocal (441.72350s) stopped
T25 >> 1462699583.82285190 redistribute (62.96479s) started
T25 << 1462699585.41968012 redistribute (64.56162s) stopped
T25 << 1462699585.42179108 van der Waals (651.84757s) stopped
T25 << 1462699585.90949106 XC 3D grid (675.14954s) stopped
T25 >> 1462699585.90953898 Poisson (255.59837s) started
T25 << 1462699588.84111094 Poisson (258.52994s) stopped
T25 >> 1462699588.84118199 Hartree integrate/restrict (8.49269s) started
T25 << 1462699588.89699507 Hartree integrate/restrict (8.54851s) stopped
T25 >> 1462699588.89704490 Hartree integrate/restrict (8.54854s) started
T25 << 1462699589.21769810 Hartree integrate/restrict (8.86919s) stopped
T25 >> 1462699589.26772904 Atomic (173.18918s) started
T25 >> 1462699589.27574897 XC Correction (108.79723s) started
T25 << 1462699593.57166505 XC Correction (113.09315s) stopped
T25 << 1462699597.47846508 Atomic (181.39992s) stopped
T25 >> 1462699597.47858906 Communicate (33.84127s) started
T25 << 1462699598.32693100 Communicate (34.68961s) stopped
T25 << 1462699598.32695508 Hamiltonian (1160.42464s) stopped
T25 >> 1462699598.32699895 LCAO eigensolver (1672.39031s) started
T25 >> 1462699598.32701111 Potential matrix (58.59885s) started
T25 << 1462699600.79764605 Potential matrix (61.06948s) stopped
T25 >> 1462699600.79771709 DistributedAtomicCorrection (24.30240s) started
T25 << 1462699601.80989289 DistributedAtomicCorrection (25.31458s) stopped
T25 >> 1462699601.80994511 Distribute overlap matrix (123.07391s) started
T25 >> 1462699601.80996609 blocked summation (120.18080s) started
T25 << 1462699606.72531009 blocked summation (125.09614s) stopped
T25 >> 1462699606.73413801 Scalapack redistribute (2.67219s) started
T25 << 1462699606.83628607 Scalapack redistribute (2.77434s) stopped
T25 << 1462699606.83636594 Distribute overlap matrix (128.10033s) stopped
T25 >> 1462699606.84173989 Blacs Orbital Layouts (1350.09105s) started
T25 >> 1462699606.85000110 General diagonalize (1344.22524s) started
T25 << 1462699659.29091406 General diagonalize (1396.66616s) stopped
T25 >> 1462699659.29097509 Redistribute coefs (0.46518s) started
T25 << 1462699659.30645990 Redistribute coefs (0.48066s) stopped
T25 >> 1462699659.30650306 Send coefs to domains (5.17985s) started
T25 << 1462699659.41374898 Send coefs to domains (5.28709s) stopped
T25 << 1462699659.41418099 Blacs Orbital Layouts (1402.66349s) stopped
T25 >> 1462699659.41420889 Calculate projections (116.18460s) started
T25 << 1462699664.09357095 Calculate projections (120.86397s) stopped
T25 << 1462699664.09375095 LCAO eigensolver (1738.15706s) stopped
T25 << 1462699665.75313902 SCF-cycle (3302.81297s) stopped
T25 >> 1462699666.46980000 Force calculation (85.22980s) started
T25 >> 1462699666.46984196 LCAO forces (76.22374s) started
T25 >> 1462699666.47018790 Initial (0.00002s) started
T25 << 1462699666.47019911 Initial (0.00003s) stopped
T25 >> 1462699666.47517395 Get density matrix (35.72655s) started
T25 << 1462699675.76621294 Get density matrix (45.01759s) stopped
T25 >> 1462699675.76625800 Potential (12.90710s) started
T25 << 1462699689.09654903 Potential (26.23739s) stopped
T25 >> 1462699689.09659910 Get density matrix (45.01763s) started
T25 << 1462699714.61884999 Get density matrix (70.53988s) stopped
T25 >> 1462699714.61890888 Prepare TCI loop (2.45273s) started
T25 >> 1462699714.61932111 Get neighbors (1.89957s) started
T25 << 1462699716.82837105 Get neighbors (4.10862s) stopped
T25 >> 1462699716.82879901 broadcast dH (0.55266s) started
T25 << 1462699717.13304400 broadcast dH (0.85690s) stopped
T25 << 1462699717.13309002 Prepare TCI loop (4.96691s) stopped
T25 >> 1462699717.13310790 Not so complicated loop (9.64796s) started
T25 << 1462699727.25300908 Not so complicated loop (19.76787s) stopped
T25 >> 1462699727.35985088 Complicated loop (15.39016s) started
T25 << 1462699743.16472793 Complicated loop (31.19504s) stopped
T25 >> 1462699743.16733289 Wait for sum (0.00011s) started
T25 << 1462699743.16741896 Wait for sum (0.00019s) stopped
T25 << 1462699743.16743302 LCAO forces (152.92133s) stopped
T25 << 1462699751.46366310 Force calculation (170.22367s) stopped
T25 >> 1462699751.48058295 Initialization (227.68415s) started
T25 << 1462699751.48072791 Initialization (227.68430s) stopped
T25 >> 1462699751.48091412 Initialization (227.68431s) started
T25 << 1462699751.48102999 Initialization (227.68443s) stopped
T25 >> 1462699751.48115206 Initialization (227.68444s) started
T25 << 1462699751.48126698 Initialization (227.68456s) stopped
T25 >> 1462699774.94062901 Initialization (227.68457s) started
T25 >> 1462699775.06668401 Basic WFS set positions (0.18615s) started
T25 >> 1462699775.06670690 Redistribute (0.02520s) started
T25 << 1462699775.08161092 Redistribute (0.04011s) stopped
T25 << 1462699775.16533303 Basic WFS set positions (0.28480s) stopped
T25 >> 1462699775.16536188 Basis functions set positions (3.15886s) started
T25 << 1462699776.67086196 Basis functions set positions (4.66436s) stopped
T25 >> 1462699776.68148899 TCI: Calculate S, T, P (44.33420s) started
T25 << 1462699799.17899799 TCI: Calculate S, T, P (66.83171s) stopped
T25 >> 1462699799.17908096 blocked summation (25.06905s) started
T25 << 1462699810.87334991 blocked summation (36.76332s) stopped
T25 >> 1462699810.88190603 Scalapack redistribute (0.46647s) started
T25 << 1462699810.98530006 Scalapack redistribute (0.56986s) stopped
T25 >> 1462699810.98624802 blocked summation (36.76336s) started
T25 << 1462699812.29377389 blocked summation (38.07089s) stopped
T25 >> 1462699812.30354691 Scalapack redistribute (0.56992s) started
T25 << 1462699812.40060401 Scalapack redistribute (0.66698s) stopped
T25 >> 1462699812.40264893 Redistribute (0.00215s) started
T25 << 1462699812.52798390 Redistribute (0.12748s) stopped
T25 >> 1462699814.15958500 Redistribute (0.12751s) started
T25 << 1462699814.16045094 Redistribute (0.12838s) stopped
T25 >> 1462699814.18167710 LCAO WFS Initialize (142.62813s) started
T25 >> 1462699814.18173790 Density initialize from wavefunctions (15.50689s) started
T25 >> 1462699814.18679404 Calculate density matrix (10.90953s) started
T25 << 1462699824.17864394 Calculate density matrix (20.90138s) stopped
T25 >> 1462699824.17870212 Construct density (1.75849s) started
T25 << 1462699825.92447209 Construct density (3.50426s) stopped
T25 >> 1462699825.93761706 Symmetrize density (0.00009s) started
T25 << 1462699825.93767500 Symmetrize density (0.00015s) stopped
T25 << 1462699828.97544408 Density initialize from wavefunctions (30.30060s) stopped
T25 >> 1462699828.97583008 Hamiltonian (126.10411s) started
T25 >> 1462699828.97584605 vbar (0.05302s) started
T25 << 1462699828.99246597 vbar (0.06964s) stopped
T25 >> 1462699828.99255109 XC 3D grid (58.08534s) started
T25 >> 1462699829.48181200 van der Waals (56.07263s) started
T25 >> 1462699829.60914207 semilocal (12.51118s) started
T25 << 1462699835.83107996 semilocal (18.73312s) stopped
T25 >> 1462699835.89423800 redistribute (5.73766s) started
T25 << 1462699836.83958507 redistribute (6.68301s) stopped
T25 >> 1462699836.83967590 libvdwxc nonlocal (37.42742s) started
T25 << 1462699856.17967010 libvdwxc nonlocal (56.76742s) stopped
T25 >> 1462699856.17974710 redistribute (6.68307s) started
T25 << 1462699857.84239888 redistribute (8.34572s) stopped
T25 << 1462699857.84397101 van der Waals (84.43479s) stopped
T25 << 1462699858.34493208 XC 3D grid (87.43772s) stopped
T25 >> 1462699858.34497690 Poisson (48.08181s) started
T25 << 1462699871.40819907 Poisson (61.14503s) stopped
T25 >> 1462699871.40828109 Hartree integrate/restrict (0.84122s) started
T25 << 1462699871.47211909 Hartree integrate/restrict (0.90506s) stopped
T25 >> 1462699871.47222304 Hartree integrate/restrict (0.90513s) started
T25 << 1462699871.78926110 Hartree integrate/restrict (1.22217s) stopped
T25 >> 1462699871.83843803 Atomic (16.24775s) started
T25 >> 1462699871.84854507 XC Correction (10.00462s) started
T25 << 1462699878.57029009 XC Correction (16.72636s) stopped
T25 << 1462699883.55135703 Atomic (27.96067s) stopped
T25 >> 1462699883.55162191 Communicate (2.59776s) started
T25 << 1462699885.66635609 Communicate (4.71249s) stopped
T25 << 1462699885.66637897 Hamiltonian (182.79466s) stopped
T25 << 1462699885.66642094 LCAO WFS Initialize (214.11288s) stopped
T25 << 1462699885.67834306 Initialization (338.42228s) stopped
T25 >> 1462699885.70522809 SCF-cycle (3302.81299s) started
T25 >> 1462699885.70527411 LCAO eigensolver (1738.15708s) started
T25 >> 1462699885.70528603 Potential matrix (61.06952s) started
T25 << 1462699888.14303994 Potential matrix (63.50728s) stopped
T25 >> 1462699888.14311409 DistributedAtomicCorrection (25.31461s) started
T25 << 1462699889.25762391 DistributedAtomicCorrection (26.42912s) stopped
T25 >> 1462699889.25769496 Distribute overlap matrix (128.10034s) started
T25 >> 1462699889.25771689 blocked summation (125.09617s) started
T25 << 1462699894.40724301 blocked summation (130.24570s) stopped
T25 >> 1462699894.41688609 Scalapack redistribute (2.77439s) started
T25 << 1462699894.53225207 Scalapack redistribute (2.88976s) stopped
T25 << 1462699894.53236389 Distribute overlap matrix (133.37501s) stopped
T25 >> 1462699894.53677297 Blacs Orbital Layouts (1402.66351s) started
T25 >> 1462699894.54444003 General diagonalize (1396.66621s) started
T25 << 1462699953.81870008 General diagonalize (1455.94047s) stopped
T25 >> 1462699953.81874800 Redistribute coefs (0.48069s) started
T25 << 1462699953.84477091 Redistribute coefs (0.50672s) stopped
T25 >> 1462699953.84481001 Send coefs to domains (5.28713s) started
T25 << 1462699954.23775792 Send coefs to domains (5.68008s) stopped
T25 << 1462699954.23806500 Blacs Orbital Layouts (1462.36480s) stopped
T25 >> 1462699954.23809290 Calculate projections (120.86402s) started
T25 << 1462699959.01776099 Calculate projections (125.64368s) stopped
T25 << 1462699959.01816607 LCAO eigensolver (1811.46997s) stopped
T25 >> 1462699960.43356204 Density (362.70641s) started
T25 >> 1462699960.43357706 Pseudo density (291.33666s) started
T25 >> 1462699960.43549609 Calculate density matrix (251.31475s) started
T25 << 1462699971.54474998 Calculate density matrix (262.42400s) stopped
T25 >> 1462699971.54480600 Construct density (39.58378s) started
T25 << 1462699973.28444600 Construct density (41.32342s) stopped
T25 >> 1462699973.29813695 Symmetrize density (0.00168s) started
T25 << 1462699973.29820299 Symmetrize density (0.00175s) stopped
T25 << 1462699973.30056000 Pseudo density (304.20364s) stopped
T25 >> 1462699973.30062103 Atomic density matrices (59.05150s) started
T25 << 1462699975.89015388 Atomic density matrices (61.64103s) stopped
T25 >> 1462699975.89018893 Multipole moments (0.15222s) started
T25 << 1462699975.89785194 Multipole moments (0.15988s) stopped
T25 >> 1462699975.89788795 Normalize (0.19638s) started
T25 << 1462699975.90490007 Normalize (0.20340s) stopped
T25 >> 1462699975.90499210 Mix (11.96777s) started
T25 << 1462699976.31717801 Mix (12.37996s) stopped
T25 << 1462699976.31725693 Density (378.59011s) stopped
T25 >> 1462699976.31738305 Hamiltonian (1160.42465s) started
T25 >> 1462699976.31740189 vbar (0.63668s) started
T25 << 1462699976.34792995 vbar (0.66721s) stopped
T25 >> 1462699976.34805799 XC 3D grid (675.14958s) started
T25 >> 1462699976.84213996 van der Waals (651.84766s) started
T25 >> 1462699976.98036695 semilocal (140.89140s) started
T25 << 1462699983.25674295 semilocal (147.16778s) stopped
T25 >> 1462699983.32256293 redistribute (64.56173s) started
T25 << 1462699984.24044490 redistribute (65.47961s) stopped
T25 >> 1462699984.24048805 libvdwxc nonlocal (441.72355s) started
T25 << 1462700003.30151010 libvdwxc nonlocal (460.78457s) stopped
T25 >> 1462700003.30158401 redistribute (65.47964s) started
T25 << 1462700005.38173604 redistribute (67.55979s) stopped
T25 << 1462700005.38266802 van der Waals (680.38819s) stopped
T25 << 1462700005.88679790 XC 3D grid (704.68832s) stopped
T25 >> 1462700005.88683891 Poisson (258.52999s) started
T25 << 1462700020.54238009 Poisson (273.18553s) stopped
T25 >> 1462700020.54247808 Hartree integrate/restrict (8.86925s) started
T25 << 1462700020.57797289 Hartree integrate/restrict (8.90474s) stopped
T25 >> 1462700020.57804799 Hartree integrate/restrict (8.90479s) started
T25 << 1462700020.95028305 Hartree integrate/restrict (9.27702s) stopped
T25 >> 1462700020.99792290 Atomic (181.39994s) started
T25 >> 1462700021.00794601 XC Correction (113.09317s) started
T25 << 1462700027.43241596 XC Correction (119.51764s) stopped
T25 << 1462700032.16904807 Atomic (192.57107s) stopped
T25 >> 1462700032.16926908 Communicate (34.68963s) started
T25 << 1462700034.28884196 Communicate (36.80920s) stopped
T25 << 1462700034.28886604 Hamiltonian (1218.39613s) stopped
T25 >> 1462700034.28892994 LCAO eigensolver (1811.46999s) started
T25 >> 1462700034.28894401 Potential matrix (63.50732s) started
T25 << 1462700036.74091506 Potential matrix (65.95929s) stopped
T25 >> 1462700036.74099708 DistributedAtomicCorrection (26.42916s) started
T25 << 1462700037.77237701 DistributedAtomicCorrection (27.46054s) stopped
T25 >> 1462700037.77245498 Distribute overlap matrix (133.37502s) started
T25 >> 1462700037.77248001 blocked summation (130.24573s) started
T25 << 1462700042.82167292 blocked summation (135.29493s) stopped
T25 >> 1462700042.83142090 Scalapack redistribute (2.88982s) started
T25 << 1462700042.94767690 Scalapack redistribute (3.00608s) stopped
T25 << 1462700042.94775510 Distribute overlap matrix (138.55032s) stopped
T25 >> 1462700042.95362997 Blacs Orbital Layouts (1462.36482s) started
T25 >> 1462700042.96116590 General diagonalize (1455.94051s) started
T25 << 1462700098.68865490 General diagonalize (1511.66800s) stopped
T25 >> 1462700098.68870497 Redistribute coefs (0.50675s) started
T25 << 1462700098.71405697 Redistribute coefs (0.53210s) stopped
T25 >> 1462700098.71409702 Send coefs to domains (5.68011s) started
T25 << 1462700099.04224706 Send coefs to domains (6.00826s) stopped
T25 << 1462700099.04249597 Blacs Orbital Layouts (1518.45369s) stopped
T25 >> 1462700099.04252410 Calculate projections (125.64374s) started
T25 << 1462700103.80379295 Calculate projections (130.40501s) stopped
T25 << 1462700103.80416608 LCAO eigensolver (1880.98523s) stopped
T25 >> 1462700105.30331612 Density (378.59012s) started
T25 >> 1462700105.30333209 Pseudo density (304.20369s) started
T25 >> 1462700105.30450296 Calculate density matrix (262.42404s) started
T25 << 1462700116.32617998 Calculate density matrix (273.44571s) stopped
T25 >> 1462700116.32623410 Construct density (41.32347s) started
T25 << 1462700118.06478596 Construct density (43.06203s) stopped
T25 >> 1462700118.07912803 Symmetrize density (0.00176s) started
T25 << 1462700118.07919002 Symmetrize density (0.00183s) stopped
T25 << 1462700118.08126092 Pseudo density (316.98162s) stopped
T25 >> 1462700118.08131289 Atomic density matrices (61.64106s) started
T25 << 1462700120.62857795 Atomic density matrices (64.18832s) stopped
T25 >> 1462700120.62861109 Multipole moments (0.15990s) started
T25 << 1462700120.63658190 Multipole moments (0.16787s) stopped
T25 >> 1462700120.63661695 Normalize (0.20347s) started
T25 << 1462700120.64354300 Normalize (0.21040s) stopped
T25 >> 1462700120.64363098 Mix (12.38003s) started
T25 << 1462700121.13185692 Mix (12.86826s) stopped
T25 << 1462700121.13196111 Density (394.41877s) stopped
T25 >> 1462700121.13209605 Hamiltonian (1218.39615s) started
T25 >> 1462700121.13211703 vbar (0.66728s) started
T25 << 1462700121.16602802 vbar (0.70120s) stopped
T25 >> 1462700121.16624594 XC 3D grid (704.68835s) started
T25 >> 1462700121.67188191 van der Waals (680.38822s) started
T25 >> 1462700121.80542207 semilocal (147.16785s) started
T25 << 1462700127.94086909 semilocal (153.30329s) stopped
T25 >> 1462700128.01663494 redistribute (67.55984s) started
T25 << 1462700129.07647705 redistribute (68.61969s) stopped
T25 >> 1462700129.07651997 libvdwxc nonlocal (460.78463s) started
T25 << 1462700148.20773005 libvdwxc nonlocal (479.91584s) stopped
T25 >> 1462700148.20779896 redistribute (68.61972s) started
T25 << 1462700150.24174905 redistribute (70.65367s) stopped
T25 << 1462700150.24279404 van der Waals (708.95913s) stopped
T25 << 1462700150.74645591 XC 3D grid (734.26856s) stopped
T25 >> 1462700150.74650693 Poisson (273.18561s) started
T25 << 1462700161.07609606 Poisson (283.51520s) stopped
T25 >> 1462700161.07618499 Hartree integrate/restrict (9.27706s) started
T25 << 1462700161.12154698 Hartree integrate/restrict (9.32243s) stopped
T25 >> 1462700161.12161303 Hartree integrate/restrict (9.32247s) started
T25 << 1462700161.46606803 Hartree integrate/restrict (9.66693s) stopped
T25 >> 1462700161.51398396 Atomic (192.57109s) started
T25 >> 1462700161.52402210 XC Correction (119.51766s) started
T25 << 1462700167.46692705 XC Correction (125.46057s) stopped
T25 << 1462700171.92831802 Atomic (202.98542s) stopped
T25 >> 1462700171.92851210 Communicate (36.80922s) started
T25 << 1462700173.67161894 Communicate (38.55232s) stopped
T25 << 1462700173.67164612 Hamiltonian (1270.93570s) stopped
T25 >> 1462700173.67170596 LCAO eigensolver (1880.98524s) started
T25 >> 1462700173.67172003 Potential matrix (65.95934s) started
T25 << 1462700176.12550807 Potential matrix (68.41313s) stopped
T25 >> 1462700176.12558794 DistributedAtomicCorrection (27.46058s) started
T25 << 1462700177.16701198 DistributedAtomicCorrection (28.50200s) stopped
T25 >> 1462700177.16708899 Distribute overlap matrix (138.55033s) started
T25 >> 1462700177.16711402 blocked summation (135.29496s) started
T25 << 1462700182.21522188 blocked summation (140.34306s) stopped
T25 >> 1462700182.22480202 Scalapack redistribute (3.00612s) started
T25 << 1462700182.32620597 Scalapack redistribute (3.10752s) stopped
T25 << 1462700182.32626009 Distribute overlap matrix (143.70951s) stopped
T25 >> 1462700182.33231091 Blacs Orbital Layouts (1518.45371s) started
T25 >> 1462700182.34021306 General diagonalize (1511.66804s) started
T25 << 1462700238.67663908 General diagonalize (1568.00446s) stopped
T25 >> 1462700238.67668796 Redistribute coefs (0.53213s) started
T25 << 1462700238.69471192 Redistribute coefs (0.55015s) stopped
T25 >> 1462700238.69476008 Send coefs to domains (6.00831s) started
T25 << 1462700238.86805296 Send coefs to domains (6.18160s) stopped
T25 << 1462700238.86837792 Blacs Orbital Layouts (1574.98977s) stopped
T25 >> 1462700238.86840606 Calculate projections (130.40506s) started
T25 << 1462700243.62295604 Calculate projections (135.15961s) stopped
T25 << 1462700243.62332606 LCAO eigensolver (1950.93686s) stopped
T25 >> 1462700245.12134004 Density (394.41878s) started
T25 >> 1462700245.12135506 Pseudo density (316.98166s) started
T25 >> 1462700245.12250400 Calculate density matrix (273.44575s) started
T25 << 1462700256.10335112 Calculate density matrix (284.42660s) stopped
T25 >> 1462700256.10340405 Construct density (43.06208s) started
T25 << 1462700257.84437108 Construct density (44.80304s) stopped
T25 >> 1462700257.85845709 Symmetrize density (0.00184s) started
T25 << 1462700257.85851598 Symmetrize density (0.00190s) stopped
T25 << 1462700257.86056900 Pseudo density (329.72087s) stopped
T25 >> 1462700257.86062193 Atomic density matrices (64.18835s) started
T25 << 1462700260.40112591 Atomic density matrices (66.72885s) stopped
T25 >> 1462700260.40115905 Multipole moments (0.16789s) started
T25 << 1462700260.40956306 Multipole moments (0.17630s) stopped
T25 >> 1462700260.40959811 Normalize (0.21046s) started
T25 << 1462700260.41618896 Normalize (0.21705s) stopped
T25 >> 1462700260.41629910 Mix (12.86836s) started
T25 << 1462700260.99523091 Mix (13.44729s) stopped
T25 << 1462700260.99528599 Density (410.29273s) stopped
T25 >> 1462700260.99536705 Hamiltonian (1270.93571s) started
T25 >> 1462700260.99538112 vbar (0.70132s) started
T25 << 1462700261.01215100 vbar (0.71809s) stopped
T25 >> 1462700261.01224804 XC 3D grid (734.26860s) started
T25 >> 1462700261.51191211 van der Waals (708.95916s) started
T25 >> 1462700261.64151406 semilocal (153.30338s) started
T25 << 1462700267.67997289 semilocal (159.34184s) stopped
T25 >> 1462700267.79434800 redistribute (70.65373s) started
T25 << 1462700268.92171407 redistribute (71.78110s) stopped
T25 >> 1462700268.92175889 libvdwxc nonlocal (479.91589s) started
T25 << 1462700288.09577489 libvdwxc nonlocal (499.08991s) stopped
T25 >> 1462700288.09584188 redistribute (71.78113s) started
T25 << 1462700289.77262807 redistribute (73.45792s) stopped
T25 << 1462700289.77368808 van der Waals (737.22093s) stopped
T25 << 1462700290.27721500 XC 3D grid (763.53357s) stopped
T25 >> 1462700290.27726197 Poisson (283.51527s) started
T25 << 1462700296.23156595 Poisson (289.46957s) stopped
T25 >> 1462700296.23163509 Hartree integrate/restrict (9.66696s) started
T25 << 1462700296.28894091 Hartree integrate/restrict (9.72427s) stopped
T25 >> 1462700296.28899789 Hartree integrate/restrict (9.72431s) started
T25 << 1462700296.61459804 Hartree integrate/restrict (10.04991s) stopped
T25 >> 1462700296.66316104 Atomic (202.98544s) started
T25 >> 1462700296.67295289 XC Correction (125.46060s) started
T25 << 1462700302.62995696 XC Correction (131.41760s) stopped
T25 << 1462700306.49028206 Atomic (212.81256s) stopped
T25 >> 1462700306.49045396 Communicate (38.55234s) started
T25 << 1462700307.47366309 Communicate (39.53555s) stopped
T25 << 1462700307.47368789 Hamiltonian (1317.41403s) stopped
T25 >> 1462700307.47374296 LCAO eigensolver (1950.93688s) started
T25 >> 1462700307.47375607 Potential matrix (68.41317s) started
T25 << 1462700309.91000891 Potential matrix (70.84942s) stopped
T25 >> 1462700309.91008306 DistributedAtomicCorrection (28.50204s) started
T25 << 1462700310.95890808 DistributedAtomicCorrection (29.55087s) stopped
T25 >> 1462700310.95897794 Distribute overlap matrix (143.70952s) started
T25 >> 1462700310.95903993 blocked summation (140.34309s) started
T25 << 1462700316.01013088 blocked summation (145.39418s) stopped
T25 >> 1462700316.01890707 Scalapack redistribute (3.10756s) started
T25 << 1462700316.12049007 Scalapack redistribute (3.20914s) stopped
T25 << 1462700316.12057495 Distribute overlap matrix (148.87112s) stopped
T25 >> 1462700316.12482810 Blacs Orbital Layouts (1574.98979s) started
T25 >> 1462700316.13213205 General diagonalize (1568.00450s) started
T25 << 1462700372.01288104 General diagonalize (1623.88525s) stopped
T25 >> 1462700372.01292992 Redistribute coefs (0.55019s) started
T25 << 1462700372.02889395 Redistribute coefs (0.56615s) stopped
T25 >> 1462700372.02893996 Send coefs to domains (6.18164s) started
T25 << 1462700372.39281607 Send coefs to domains (6.54552s) stopped
T25 << 1462700372.39304090 Blacs Orbital Layouts (1631.25801s) stopped
T25 >> 1462700372.39306903 Calculate projections (135.15966s) started
T25 << 1462700377.17551208 Calculate projections (139.94211s) stopped
T25 << 1462700377.17571306 LCAO eigensolver (2020.63885s) stopped
T25 >> 1462700378.64308310 Density (410.29274s) started
T25 >> 1462700378.64309812 Pseudo density (329.72091s) started
T25 >> 1462700378.64473295 Calculate density matrix (284.42663s) started
T25 << 1462700389.78077006 Calculate density matrix (295.56267s) stopped
T25 >> 1462700389.78082490 Construct density (44.80310s) started
T25 << 1462700391.52010703 Construct density (46.54238s) stopped
T25 >> 1462700391.53373098 Symmetrize density (0.00192s) started
T25 << 1462700391.53378296 Symmetrize density (0.00197s) stopped
T25 << 1462700391.53611994 Pseudo density (342.61394s) stopped
T25 >> 1462700391.53616595 Atomic density matrices (66.72888s) started
T25 << 1462700394.07925010 Atomic density matrices (69.27196s) stopped
T25 >> 1462700394.07928491 Multipole moments (0.17631s) started
T25 << 1462700394.08590293 Multipole moments (0.18293s) stopped
T25 >> 1462700394.08593893 Normalize (0.21714s) started
T25 << 1462700394.09283090 Normalize (0.22403s) stopped
T25 >> 1462700394.09290910 Mix (13.44735s) started
T25 << 1462700394.60524106 Mix (13.95968s) stopped
T25 << 1462700394.60534310 Density (426.25500s) stopped
T25 >> 1462700394.60546899 Hamiltonian (1317.41404s) started
T25 >> 1462700394.60548711 vbar (0.71814s) started
T25 << 1462700394.63859200 vbar (0.75124s) stopped
T25 >> 1462700394.63879299 XC 3D grid (763.53361s) started
T25 >> 1462700395.15258098 van der Waals (737.22098s) started
T25 >> 1462700395.28655791 semilocal (159.34196s) started
T25 << 1462700401.48854399 semilocal (165.54394s) stopped
T25 >> 1462700401.55011606 redistribute (73.45796s) started
T25 << 1462700402.49875402 redistribute (74.40659s) stopped
T25 >> 1462700402.49879789 libvdwxc nonlocal (499.08996s) started
T25 << 1462700421.33956289 libvdwxc nonlocal (517.93072s) stopped
T25 >> 1462700421.33961606 redistribute (74.40663s) started
T25 << 1462700423.23513508 redistribute (76.30215s) stopped
T25 << 1462700423.23635101 van der Waals (765.30475s) stopped
T25 << 1462700423.73850608 XC 3D grid (792.63332s) stopped
T25 >> 1462700423.73855805 Poisson (289.46962s) started
T25 << 1462700431.04714489 Poisson (296.77821s) stopped
T25 >> 1462700431.04723907 Hartree integrate/restrict (10.05000s) started
T25 << 1462700431.09044695 Hartree integrate/restrict (10.09321s) stopped
T25 >> 1462700431.09050989 Hartree integrate/restrict (10.09325s) started
T25 << 1462700431.44547701 Hartree integrate/restrict (10.44821s) stopped
T25 >> 1462700431.49316597 Atomic (212.81258s) started
T25 >> 1462700431.50301409 XC Correction (131.41762s) started
T25 << 1462700437.46987295 XC Correction (137.38448s) stopped
T25 << 1462700441.04546499 Atomic (222.36488s) stopped
T25 >> 1462700441.04568410 Communicate (39.53557s) started
T25 << 1462700441.64082003 Communicate (40.13070s) stopped
T25 << 1462700441.64084411 Hamiltonian (1364.44942s) stopped
T25 >> 1462700441.64090490 LCAO eigensolver (2020.63887s) started
T25 >> 1462700441.64091897 Potential matrix (70.84947s) started
T25 << 1462700444.08620405 Potential matrix (73.29475s) stopped
T25 >> 1462700444.08628511 DistributedAtomicCorrection (29.55090s) started
T25 << 1462700445.12517095 DistributedAtomicCorrection (30.58979s) stopped
T25 >> 1462700445.12524700 Distribute overlap matrix (148.87113s) started
T25 >> 1462700445.12527204 blocked summation (145.39422s) started
T25 << 1462700450.13155198 blocked summation (150.40050s) stopped
T25 >> 1462700450.14049792 Scalapack redistribute (3.20920s) started
T25 << 1462700450.25451899 Scalapack redistribute (3.32322s) stopped
T25 << 1462700450.25457311 Distribute overlap matrix (154.00045s) stopped
T25 >> 1462700450.26194406 Blacs Orbital Layouts (1631.25802s) started
T25 >> 1462700450.27052999 General diagonalize (1623.88529s) started
T25 << 1462700506.62757707 General diagonalize (1680.24234s) stopped
T25 >> 1462700506.62762594 Redistribute coefs (0.56619s) started
T25 << 1462700506.64288092 Redistribute coefs (0.58144s) stopped
T25 >> 1462700506.64292192 Send coefs to domains (6.54555s) started
T25 << 1462700506.98245811 Send coefs to domains (6.88508s) stopped
T25 << 1462700506.98273110 Blacs Orbital Layouts (1687.97881s) stopped
T25 >> 1462700506.98275900 Calculate projections (139.94216s) started
T25 << 1462700511.76141405 Calculate projections (144.72082s) stopped
T25 << 1462700511.76158190 LCAO eigensolver (2090.75955s) stopped
T25 >> 1462700513.24539304 Density (426.25502s) started
T25 >> 1462700513.24540710 Pseudo density (342.61397s) started
T25 >> 1462700513.24733305 Calculate density matrix (295.56270s) started
T25 << 1462700524.42885089 Calculate density matrix (306.74422s) stopped
T25 >> 1462700524.42890811 Construct density (46.54241s) started
T25 << 1462700526.17426896 Construct density (48.28777s) stopped
T25 >> 1462700526.18797398 Symmetrize density (0.00199s) started
T25 << 1462700526.18804002 Symmetrize density (0.00205s) stopped
T25 << 1462700526.19046807 Pseudo density (355.55903s) stopped
T25 >> 1462700526.19053102 Atomic density matrices (69.27199s) started
T25 << 1462700528.75622606 Atomic density matrices (71.83768s) stopped
T25 >> 1462700528.75625992 Multipole moments (0.18295s) started
T25 << 1462700528.76334906 Multipole moments (0.19004s) stopped
T25 >> 1462700528.76338506 Normalize (0.22409s) started
T25 << 1462700528.77237892 Normalize (0.23308s) stopped
T25 >> 1462700528.77243090 Mix (13.95977s) started
T25 << 1462700529.30418491 Mix (14.49153s) stopped
T25 << 1462700529.30424190 Density (442.31387s) stopped
T25 >> 1462700529.30439091 Hamiltonian (1364.44943s) started
T25 >> 1462700529.30441093 vbar (0.75135s) started
T25 << 1462700529.33225703 vbar (0.77920s) stopped
T25 >> 1462700529.33239698 XC 3D grid (792.63337s) started
T25 >> 1462700529.86979389 van der Waals (765.30478s) started
T25 >> 1462700529.99555993 semilocal (165.54399s) started
T25 << 1462700536.23564100 semilocal (171.78407s) stopped
T25 >> 1462700536.29696798 redistribute (76.30218s) started
T25 << 1462700537.28765798 redistribute (77.29287s) stopped
T25 >> 1462700537.28770494 libvdwxc nonlocal (517.93076s) started
T25 << 1462700556.74075389 libvdwxc nonlocal (537.38381s) stopped
T25 >> 1462700556.74079704 redistribute (77.29291s) started
T25 << 1462700558.44386101 redistribute (78.99597s) stopped
T25 << 1462700558.44529200 van der Waals (793.88028s) stopped
T25 << 1462700558.94528794 XC 3D grid (822.24626s) stopped
T25 >> 1462700558.94532800 Poisson (296.77828s) started
T25 << 1462700564.85685492 Poisson (302.68981s) stopped
T25 >> 1462700564.85696006 Hartree integrate/restrict (10.44825s) started
T25 << 1462700564.91242003 Hartree integrate/restrict (10.50371s) stopped
T25 >> 1462700564.91249895 Hartree integrate/restrict (10.50376s) started
T25 << 1462700565.23844099 Hartree integrate/restrict (10.82970s) stopped
T25 >> 1462700565.28893399 Atomic (222.36490s) started
T25 >> 1462700565.29867601 XC Correction (137.38451s) started
T25 << 1462700571.25078011 XC Correction (143.33662s) stopped
T25 << 1462700574.90648890 Atomic (231.98246s) stopped
T25 >> 1462700574.90665007 Communicate (40.13072s) started
T25 << 1462700575.46336007 Communicate (40.68743s) stopped
T25 << 1462700575.46338391 Hamiltonian (1410.60842s) stopped
T25 >> 1462700575.46343708 LCAO eigensolver (2090.75956s) started
T25 >> 1462700575.46344995 Potential matrix (73.29480s) started
T25 << 1462700577.89386797 Potential matrix (75.72522s) stopped
T25 >> 1462700577.89393902 DistributedAtomicCorrection (30.58983s) started
T25 << 1462700578.92524004 DistributedAtomicCorrection (31.62113s) stopped
T25 >> 1462700578.92558503 Distribute overlap matrix (154.00047s) started
T25 >> 1462700578.92560911 blocked summation (150.40053s) started
T25 << 1462700583.96774793 blocked summation (155.44267s) stopped
T25 >> 1462700583.97749901 Scalapack redistribute (3.32326s) started
T25 << 1462700584.10961199 Scalapack redistribute (3.45537s) stopped
T25 << 1462700584.10968900 Distribute overlap matrix (159.18457s) stopped
T25 >> 1462700584.11538100 Blacs Orbital Layouts (1687.97883s) started
T25 >> 1462700584.12269306 General diagonalize (1680.24238s) started
T25 << 1462700639.98357010 General diagonalize (1736.10325s) stopped
T25 >> 1462700639.98361802 Redistribute coefs (0.58148s) started
T25 << 1462700640.00031590 Redistribute coefs (0.59817s) stopped
T25 >> 1462700640.00036597 Send coefs to domains (6.88512s) started
T25 << 1462700640.09339190 Send coefs to domains (6.97814s) stopped
T25 << 1462700640.09362793 Blacs Orbital Layouts (1743.95708s) stopped
T25 >> 1462700640.09365702 Calculate projections (144.72087s) started
T25 << 1462700644.86709309 Calculate projections (149.49430s) stopped
T25 << 1462700644.86741495 LCAO eigensolver (2160.16354s) stopped
T25 >> 1462700646.35953403 Density (442.31389s) started
T25 >> 1462700646.35954905 Pseudo density (355.55909s) started
T25 >> 1462700646.36107993 Calculate density matrix (306.74426s) started
T25 << 1462700657.47507906 Calculate density matrix (317.85826s) stopped
T25 >> 1462700657.47513390 Construct density (48.28782s) started
T25 << 1462700659.21102691 Construct density (50.02371s) stopped
T25 >> 1462700659.22428203 Symmetrize density (0.00207s) started
T25 << 1462700659.22434902 Symmetrize density (0.00214s) stopped
T25 << 1462700659.22669601 Pseudo density (368.42623s) stopped
T25 >> 1462700659.22675610 Atomic density matrices (71.83771s) started
T25 << 1462700661.77599907 Atomic density matrices (74.38695s) stopped
T25 >> 1462700661.77603793 Multipole moments (0.19006s) started
T25 << 1462700661.81333089 Multipole moments (0.22735s) stopped
T25 >> 1462700661.81336689 Normalize (0.23312s) started
T25 << 1462700661.82113290 Normalize (0.24089s) stopped
T25 >> 1462700661.82120109 Mix (14.49158s) started
T25 << 1462700662.34954810 Mix (15.01993s) stopped
T25 << 1462700662.34964800 Density (458.30400s) stopped
T25 >> 1462700662.34978008 Hamiltonian (1410.60844s) started
T25 >> 1462700662.34980297 vbar (0.77928s) started
T25 << 1462700662.38524103 vbar (0.81471s) stopped
T25 >> 1462700662.38538909 XC 3D grid (822.24629s) started
T25 >> 1462700662.86880589 van der Waals (793.88034s) started
T25 >> 1462700663.00343108 semilocal (171.78413s) started
T25 << 1462700669.13571501 semilocal (177.91642s) stopped
T25 >> 1462700669.20534992 redistribute (78.99601s) started
T25 << 1462700670.23667598 redistribute (80.02734s) stopped
T25 >> 1462700670.23674393 libvdwxc nonlocal (537.38384s) started
T25 << 1462700688.95736599 libvdwxc nonlocal (556.10447s) stopped
T25 >> 1462700688.95743608 redistribute (80.02739s) started
T25 << 1462700690.87753510 redistribute (81.94749s) stopped
T25 << 1462700690.87851405 van der Waals (821.89004s) stopped
T25 << 1462700691.38063908 XC 3D grid (851.24154s) stopped
T25 >> 1462700691.38068199 Poisson (302.68989s) started
T25 << 1462700695.79537797 Poisson (307.10458s) stopped
T25 >> 1462700695.79549003 Hartree integrate/restrict (10.82976s) started
T25 << 1462700695.83436489 Hartree integrate/restrict (10.86864s) stopped
T25 >> 1462700695.83457208 Hartree integrate/restrict (10.86878s) started
T25 << 1462700696.17992401 Hartree integrate/restrict (11.21413s) stopped
T25 >> 1462700696.22782993 Atomic (231.98248s) started
T25 >> 1462700696.23771691 XC Correction (143.33664s) started
T25 << 1462700702.15680099 XC Correction (149.25572s) stopped
T25 << 1462700705.91440892 Atomic (241.66906s) stopped
T25 >> 1462700705.91459394 Communicate (40.68744s) started
T25 << 1462700706.37295604 Communicate (41.14580s) stopped
T25 << 1462700706.37298203 Hamiltonian (1454.63164s) stopped
T25 >> 1462700706.37303996 LCAO eigensolver (2160.16356s) started
T25 >> 1462700706.37305403 Potential matrix (75.72526s) started
T25 << 1462700708.82144594 Potential matrix (78.17365s) stopped
T25 >> 1462700708.82152700 DistributedAtomicCorrection (31.62116s) started
T25 << 1462700709.85101199 DistributedAtomicCorrection (32.65065s) stopped
T25 >> 1462700709.85109997 Distribute overlap matrix (159.18458s) started
T25 >> 1462700709.85112500 blocked summation (155.44270s) started
T25 << 1462700714.85736203 blocked summation (160.44894s) stopped
T25 >> 1462700714.86691809 Scalapack redistribute (3.45543s) started
T25 << 1462700714.96618700 Scalapack redistribute (3.55470s) stopped
T25 << 1462700714.96629310 Distribute overlap matrix (164.29978s) stopped
T25 >> 1462700714.97173309 Blacs Orbital Layouts (1743.95710s) started
T25 >> 1462700714.98090196 General diagonalize (1736.10329s) started
T25 << 1462700770.54790497 General diagonalize (1791.67029s) stopped
T25 >> 1462700770.54795504 Redistribute coefs (0.59822s) started
T25 << 1462700770.56421900 Redistribute coefs (0.61448s) stopped
T25 >> 1462700770.56426406 Send coefs to domains (6.97818s) started
T25 << 1462700770.79885697 Send coefs to domains (7.21277s) stopped
T25 << 1462700770.79916406 Blacs Orbital Layouts (1799.78453s) stopped
T25 >> 1462700770.79919291 Calculate projections (149.49436s) started
T25 << 1462700775.55194998 Calculate projections (154.24712s) stopped
T25 << 1462700775.55215001 LCAO eigensolver (2229.34267s) stopped
T25 >> 1462700777.27016592 Density (458.30402s) started
T25 >> 1462700777.27018189 Pseudo density (368.42628s) started
T25 >> 1462700777.27136397 Calculate density matrix (317.85829s) started
T25 << 1462700788.31881905 Calculate density matrix (328.90575s) stopped
T25 >> 1462700788.31887507 Construct density (50.02377s) started
T25 << 1462700790.05905294 Construct density (51.76394s) stopped
T25 >> 1462700790.07159495 Symmetrize density (0.00215s) started
T25 << 1462700790.07165599 Symmetrize density (0.00221s) stopped
T25 << 1462700790.07372999 Pseudo density (381.22983s) stopped
T25 >> 1462700790.07378602 Atomic density matrices (74.38698s) started
T25 << 1462700792.65507102 Atomic density matrices (76.96826s) stopped
T25 >> 1462700792.65510392 Multipole moments (0.22737s) started
T25 << 1462700792.66290998 Multipole moments (0.23517s) stopped
T25 >> 1462700792.66294408 Normalize (0.24094s) started
T25 << 1462700792.66958499 Normalize (0.24758s) stopped
T25 >> 1462700792.66969991 Mix (15.02003s) started
T25 << 1462700793.19884896 Mix (15.54918s) stopped
T25 << 1462700793.19890904 Density (474.23277s) stopped
T25 >> 1462700793.19906592 Hamiltonian (1454.63165s) started
T25 >> 1462700793.19908500 vbar (0.81480s) started
T25 << 1462700793.22684097 vbar (0.84255s) stopped
T25 >> 1462700793.22690892 XC 3D grid (851.24157s) started
T25 >> 1462700793.70911789 van der Waals (821.89007s) started
T25 >> 1462700793.83975601 semilocal (177.91654s) started
T25 << 1462700799.97786903 semilocal (184.05465s) stopped
T25 >> 1462700800.05771089 redistribute (81.94755s) started
T25 << 1462700801.11575603 redistribute (83.00559s) stopped
T25 >> 1462700801.11580110 libvdwxc nonlocal (556.10452s) started
T25 << 1462700820.68802905 libvdwxc nonlocal (575.67675s) stopped
T25 >> 1462700820.68810105 redistribute (83.00563s) started
T25 << 1462700822.33928299 redistribute (84.65681s) stopped
T25 << 1462700822.34078789 van der Waals (850.52174s) stopped
T25 << 1462700822.83898592 XC 3D grid (880.85365s) stopped
T25 >> 1462700822.83903408 Poisson (307.10467s) started
T25 << 1462700825.88885403 Poisson (310.15449s) stopped
T25 >> 1462700825.88894606 Hartree integrate/restrict (11.21418s) started
T25 << 1462700825.95270491 Hartree integrate/restrict (11.27794s) stopped
T25 >> 1462700825.95275903 Hartree integrate/restrict (11.27797s) started
T25 << 1462700826.26676393 Hartree integrate/restrict (11.59198s) stopped
T25 >> 1462700826.31883407 Atomic (241.66908s) started
T25 >> 1462700826.32866096 XC Correction (149.25575s) started
T25 << 1462700832.21173406 XC Correction (155.13882s) stopped
T25 << 1462700835.89311004 Atomic (251.24335s) stopped
T25 >> 1462700835.89331102 Communicate (41.14582s) started
T25 << 1462700836.49227691 Communicate (41.74478s) stopped
T25 << 1462700836.49230409 Hamiltonian (1497.92489s) stopped
T25 >> 1462700836.49236894 LCAO eigensolver (2229.34269s) started
T25 >> 1462700836.49238300 Potential matrix (78.17369s) started
T25 << 1462700838.93689203 Potential matrix (80.61820s) stopped
T25 >> 1462700838.93696189 DistributedAtomicCorrection (32.65069s) started
T25 << 1462700839.99010897 DistributedAtomicCorrection (33.70383s) stopped
T25 >> 1462700839.99019408 Distribute overlap matrix (164.29979s) started
T25 >> 1462700839.99021697 blocked summation (160.44899s) started
T25 << 1462700844.96656394 blocked summation (165.42534s) stopped
T25 >> 1462700844.97551799 Scalapack redistribute (3.55478s) started
T25 << 1462700845.07827902 Scalapack redistribute (3.65754s) stopped
T25 << 1462700845.07836103 Distribute overlap matrix (169.38796s) stopped
T25 >> 1462700845.08274698 Blacs Orbital Layouts (1799.78455s) started
T25 >> 1462700845.09014297 General diagonalize (1791.67033s) started
T25 << 1462700901.16795206 General diagonalize (1847.74814s) stopped
T25 >> 1462700901.16800189 Redistribute coefs (0.61452s) started
T25 << 1462700901.19278789 Redistribute coefs (0.63930s) stopped
T25 >> 1462700901.19282794 Send coefs to domains (7.21282s) started
T25 << 1462700901.56389904 Send coefs to domains (7.58389s) stopped
T25 << 1462700901.56413889 Blacs Orbital Layouts (1856.26594s) stopped
T25 >> 1462700901.56416798 Calculate projections (154.24717s) started
T25 << 1462700906.32658100 Calculate projections (159.00958s) stopped
T25 << 1462700906.32676291 LCAO eigensolver (2299.17708s) stopped
T25 >> 1462700907.76561308 Density (474.23278s) started
T25 >> 1462700907.76562810 Pseudo density (381.22987s) started
T25 >> 1462700907.76697493 Calculate density matrix (328.90579s) started
T25 << 1462700918.93231201 Calculate density matrix (340.07113s) stopped
T25 >> 1462700918.93237400 Construct density (51.76400s) started
T25 << 1462700920.67581105 Construct density (53.50744s) stopped
T25 >> 1462700920.68827295 Symmetrize density (0.00223s) started
T25 << 1462700920.68833590 Symmetrize density (0.00230s) stopped
T25 << 1462700920.69041395 Pseudo density (394.15466s) stopped
T25 >> 1462700920.69047093 Atomic density matrices (76.96829s) started
T25 << 1462700923.27816105 Atomic density matrices (79.55598s) stopped
T25 >> 1462700923.27819490 Multipole moments (0.23519s) started
T25 << 1462700923.28642201 Multipole moments (0.24342s) stopped
T25 >> 1462700923.28645611 Normalize (0.24767s) started
T25 << 1462700923.29328609 Normalize (0.25450s) stopped
T25 >> 1462700923.29339194 Mix (15.54924s) started
T25 << 1462700923.81651497 Mix (16.07236s) stopped
T25 << 1462700923.81661892 Density (490.28379s) stopped
T25 >> 1462700923.81675410 Hamiltonian (1497.92490s) started
T25 >> 1462700923.81677294 vbar (0.84259s) started
T25 << 1462700923.85038304 vbar (0.87620s) stopped
T25 >> 1462700923.85046697 XC 3D grid (880.85369s) started
T25 >> 1462700924.36485600 van der Waals (850.52179s) started
T25 >> 1462700924.49276495 semilocal (184.05478s) started
T25 << 1462700930.63482189 semilocal (190.19684s) stopped
T25 >> 1462700930.70419598 redistribute (84.65685s) started
T25 << 1462700931.71878910 redistribute (85.67144s) stopped
T25 >> 1462700931.71883392 libvdwxc nonlocal (575.67680s) started
T25 << 1462700950.71386600 libvdwxc nonlocal (594.67183s) stopped
T25 >> 1462700950.71390700 redistribute (85.67147s) started
T25 << 1462700952.31558394 redistribute (87.27315s) stopped
T25 << 1462700952.31692290 van der Waals (878.47386s) stopped
T25 << 1462700952.82309103 XC 3D grid (909.82631s) stopped
T25 >> 1462700952.82313395 Poisson (310.15456s) started
T25 << 1462700957.15818191 Poisson (314.48960s) stopped
T25 >> 1462700957.15826893 Hartree integrate/restrict (11.59204s) started
T25 << 1462700957.20695710 Hartree integrate/restrict (11.64073s) stopped
T25 >> 1462700957.20702100 Hartree integrate/restrict (11.64077s) started
T25 << 1462700957.52695298 Hartree integrate/restrict (11.96070s) stopped
T25 >> 1462700957.57577205 Atomic (251.24337s) started
T25 >> 1462700957.58581090 XC Correction (155.13885s) started
T25 << 1462700963.40792799 XC Correction (160.96097s) stopped
T25 << 1462700967.18786693 Atomic (260.85547s) stopped
T25 >> 1462700967.18807101 Communicate (41.74481s) started
T25 << 1462700967.74432111 Communicate (42.30106s) stopped
T25 << 1462700967.74434400 Hamiltonian (1541.85249s) stopped
T25 >> 1462700967.74440289 LCAO eigensolver (2299.17710s) started
T25 >> 1462700967.74441600 Potential matrix (80.61824s) started
T25 << 1462700970.19090009 Potential matrix (83.06473s) stopped
T25 >> 1462700970.19097209 DistributedAtomicCorrection (33.70387s) started
T25 << 1462700971.25052500 DistributedAtomicCorrection (34.76342s) stopped
T25 >> 1462700971.25060296 Distribute overlap matrix (169.38797s) started
T25 >> 1462700971.25062609 blocked summation (165.42537s) started
T25 << 1462700976.23977089 blocked summation (170.41452s) stopped
T25 >> 1462700976.24966693 Scalapack redistribute (3.65758s) started
T25 << 1462700976.34731293 Scalapack redistribute (3.75522s) stopped
T25 << 1462700976.34743094 Distribute overlap matrix (174.48480s) stopped
T25 >> 1462700976.35160995 Blacs Orbital Layouts (1856.26596s) started
T25 >> 1462700976.35887289 General diagonalize (1847.74818s) started
T25 << 1462701032.32886505 General diagonalize (1903.71817s) stopped
T25 >> 1462701032.32891297 Redistribute coefs (0.63934s) started
T25 << 1462701032.36307406 Redistribute coefs (0.67350s) stopped
T25 >> 1462701032.36311507 Send coefs to domains (7.58394s) started
T25 << 1462701032.74585009 Send coefs to domains (7.96667s) stopped
T25 << 1462701032.74616790 Blacs Orbital Layouts (1912.66052s) stopped
T25 >> 1462701032.74619699 Calculate projections (159.00963s) started
T25 << 1462701037.52393007 Calculate projections (163.78736s) stopped
T25 << 1462701037.52414608 LCAO eigensolver (2368.95684s) stopped
T25 >> 1462701038.93229795 Density (490.28381s) started
T25 >> 1462701038.93231392 Pseudo density (394.15470s) started
T25 >> 1462701038.93406010 Calculate density matrix (340.07117s) started
T25 << 1462701050.16605401 Calculate density matrix (351.30316s) stopped
T25 >> 1462701050.16611409 Construct density (53.50748s) started
T25 << 1462701051.90676188 Construct density (55.24812s) stopped
T25 >> 1462701051.91998792 Symmetrize density (0.00231s) started
T25 << 1462701051.92005301 Symmetrize density (0.00238s) stopped
T25 << 1462701051.92241311 Pseudo density (407.14480s) stopped
T25 >> 1462701051.92247510 Atomic density matrices (79.55601s) started
T25 << 1462701054.49278688 Atomic density matrices (82.12632s) stopped
T25 >> 1462701054.49282098 Multipole moments (0.24343s) started
T25 << 1462701054.50096893 Multipole moments (0.25158s) stopped
T25 >> 1462701054.50100803 Normalize (0.25458s) started
T25 << 1462701054.50981903 Normalize (0.26339s) stopped
T25 >> 1462701054.50986290 Mix (16.07246s) started
T25 << 1462701055.03824210 Mix (16.60084s) stopped
T25 << 1462701055.03830194 Density (506.38981s) stopped
T25 >> 1462701055.03840494 Hamiltonian (1541.85251s) started
T25 >> 1462701055.03842902 vbar (0.87624s) started
T25 << 1462701055.06793094 vbar (0.90574s) stopped
T25 >> 1462701055.06808209 XC 3D grid (909.82635s) started
T25 >> 1462701055.58002996 van der Waals (878.47389s) started
T25 >> 1462701055.71664310 semilocal (190.19694s) started
T25 << 1462701062.03053308 semilocal (196.51083s) stopped
T25 >> 1462701062.09582591 redistribute (87.27318s) started
T25 << 1462701063.00293398 redistribute (88.18029s) stopped
T25 >> 1462701063.00298095 libvdwxc nonlocal (594.67187s) started
T25 << 1462701081.73830104 libvdwxc nonlocal (613.40719s) stopped
T25 >> 1462701081.73836899 redistribute (88.18033s) started
T25 << 1462701083.68233991 redistribute (90.12430s) stopped
T25 << 1462701083.68339992 van der Waals (906.57726s) stopped
T25 << 1462701084.18560505 XC 3D grid (938.94387s) stopped
T25 >> 1462701084.18565011 Poisson (314.48967s) started
T25 << 1462701087.13530493 Poisson (317.43933s) stopped
T25 >> 1462701087.13539410 Hartree integrate/restrict (11.96076s) started
T25 << 1462701087.17838097 Hartree integrate/restrict (12.00375s) stopped
T25 >> 1462701087.17847204 Hartree integrate/restrict (12.00381s) started
T25 << 1462701087.52462006 Hartree integrate/restrict (12.34996s) stopped
T25 >> 1462701087.57519507 Atomic (260.85549s) started
T25 >> 1462701087.58514905 XC Correction (160.96099s) started
T25 << 1462701093.39822888 XC Correction (166.77407s) stopped
T25 << 1462701097.22432804 Atomic (270.50462s) stopped
T25 >> 1462701097.22450304 Communicate (42.30107s) started
T25 << 1462701097.73102403 Communicate (42.80759s) stopped
T25 << 1462701097.73104811 Hamiltonian (1584.54515s) stopped
T25 >> 1462701097.73110294 LCAO eigensolver (2368.95686s) started
T25 >> 1462701097.73111701 Potential matrix (83.06477s) started
T25 << 1462701100.17282891 Potential matrix (85.50648s) stopped
T25 >> 1462701100.17290902 DistributedAtomicCorrection (34.76346s) started
T25 << 1462701101.22693491 DistributedAtomicCorrection (35.81748s) stopped
T25 >> 1462701101.22702694 Distribute overlap matrix (174.48481s) started
T25 >> 1462701101.22705197 blocked summation (170.41455s) started
T25 << 1462701106.22173905 blocked summation (175.40924s) stopped
T25 >> 1462701106.23069000 Scalapack redistribute (3.75530s) started
T25 << 1462701106.33179903 Scalapack redistribute (3.85641s) stopped
T25 << 1462701106.33189106 Distribute overlap matrix (179.58968s) stopped
T25 >> 1462701106.33696699 Blacs Orbital Layouts (1912.66054s) started
T25 >> 1462701106.34485412 General diagonalize (1903.71821s) started
T25 << 1462701161.90389705 General diagonalize (1959.27725s) stopped
T25 >> 1462701161.90394402 Redistribute coefs (0.67353s) started
T25 << 1462701161.91936588 Redistribute coefs (0.68895s) stopped
T25 >> 1462701161.91940808 Send coefs to domains (7.96672s) started
T25 << 1462701162.51323795 Send coefs to domains (8.56055s) stopped
T25 << 1462701162.51351404 Blacs Orbital Layouts (1968.83708s) stopped
T25 >> 1462701162.51354098 Calculate projections (163.78742s) started
T25 << 1462701167.24018312 Calculate projections (168.51406s) stopped
T25 << 1462701167.24038005 LCAO eigensolver (2438.46614s) stopped
T25 << 1462701168.77768803 SCF-cycle (4585.88545s) stopped
T25 >> 1462701169.85932112 Force calculation (170.22369s) started
T25 >> 1462701169.85938597 LCAO forces (152.92134s) started
T25 >> 1462701169.85973501 Initial (0.00004s) started
T25 << 1462701169.85974598 Initial (0.00006s) stopped
T25 >> 1462701169.86526489 Get density matrix (70.53991s) started
T25 << 1462701179.24726295 Get density matrix (79.92191s) stopped
T25 >> 1462701179.24730611 Potential (26.23743s) started
T25 << 1462701192.33370209 Potential (39.32383s) stopped
T25 >> 1462701192.33375311 Get density matrix (79.92195s) started
T25 << 1462701218.62427211 Get density matrix (106.21246s) stopped
T25 >> 1462701218.62434506 Prepare TCI loop (4.96692s) started
T25 >> 1462701218.62492990 Get neighbors (4.10868s) started
T25 << 1462701220.88654304 Get neighbors (6.37029s) stopped
T25 >> 1462701220.88699198 broadcast dH (0.85693s) started
T25 << 1462701221.02606797 broadcast dH (0.99601s) stopped
T25 << 1462701221.02611899 Prepare TCI loop (7.36870s) stopped
T25 >> 1462701221.02613711 Not so complicated loop (19.76790s) started
T25 << 1462701231.49335408 Not so complicated loop (30.23512s) stopped
T25 >> 1462701231.60778689 Complicated loop (31.19507s) started
T25 << 1462701247.63446999 Complicated loop (47.22175s) stopped
T25 >> 1462701247.63691807 Wait for sum (0.00021s) started
T25 << 1462701247.63700891 Wait for sum (0.00030s) stopped
T25 << 1462701247.63702393 LCAO forces (230.69898s) stopped
T25 << 1462701257.06065297 Force calculation (257.42502s) stopped
T25 >> 1462701257.07792711 Initialization (338.42230s) started
T25 << 1462701257.07809591 Initialization (338.42247s) stopped
T25 >> 1462701257.07832193 Initialization (338.42248s) started
T25 << 1462701257.07844996 Initialization (338.42261s) stopped
T25 >> 1462701257.07857895 Initialization (338.42263s) started
T25 << 1462701257.07870507 Initialization (338.42275s) stopped
T25 >> 1462701280.55527401 Initialization (338.42277s) started
T25 >> 1462701280.59727001 Basic WFS set positions (0.28482s) started
T25 >> 1462701280.59729290 Redistribute (0.04013s) started
T25 << 1462701280.63853407 Redistribute (0.08137s) stopped
T25 << 1462701280.73992705 Basic WFS set positions (0.42748s) stopped
T25 >> 1462701280.73996305 Basis functions set positions (4.66439s) started
T25 << 1462701282.50606203 Basis functions set positions (6.43049s) stopped
T25 >> 1462701282.50745893 TCI: Calculate S, T, P (66.83174s) started
T25 << 1462701306.25162792 TCI: Calculate S, T, P (90.57591s) stopped
T25 >> 1462701306.25172210 blocked summation (38.07097s) started
T25 << 1462701318.99037099 blocked summation (50.80962s) stopped
T25 >> 1462701319.00050092 Scalapack redistribute (0.66704s) started
T25 << 1462701319.11017799 Scalapack redistribute (0.77672s) stopped
T25 >> 1462701319.11113191 blocked summation (50.80971s) started
T25 << 1462701320.40276408 blocked summation (52.10134s) stopped
T25 >> 1462701320.41287303 Scalapack redistribute (0.77678s) started
T25 << 1462701320.64281702 Scalapack redistribute (1.00672s) stopped
T25 >> 1462701320.64525509 Redistribute (0.12840s) started
T25 << 1462701320.74432492 Redistribute (0.22746s) stopped
T25 >> 1462701322.46984601 Redistribute (0.22749s) started
T25 << 1462701322.47089911 Redistribute (0.22855s) stopped
T25 >> 1462701322.50578403 LCAO WFS Initialize (214.11289s) started
T25 >> 1462701322.50581288 Density initialize from wavefunctions (30.30066s) started
T25 >> 1462701322.50896192 Calculate density matrix (20.90142s) started
T25 << 1462701332.44296503 Calculate density matrix (30.83542s) stopped
T25 >> 1462701332.44302106 Construct density (3.50431s) started
T25 << 1462701334.13796091 Construct density (5.19925s) stopped
T25 >> 1462701334.15121198 Symmetrize density (0.00017s) started
T25 << 1462701334.15127611 Symmetrize density (0.00023s) stopped
T25 << 1462701337.09920192 Density initialize from wavefunctions (44.89405s) stopped
T25 >> 1462701337.10000300 Hamiltonian (182.79468s) started
T25 >> 1462701337.10005498 vbar (0.06969s) started
T25 << 1462701337.12611699 vbar (0.09575s) stopped
T25 >> 1462701337.12622809 XC 3D grid (87.43775s) started
T25 >> 1462701337.68123794 van der Waals (84.43486s) started
T25 >> 1462701337.81826091 semilocal (18.73319s) started
T25 << 1462701344.06596208 semilocal (24.98089s) stopped
T25 >> 1462701344.13397694 redistribute (8.34578s) started
T25 << 1462701345.02605009 redistribute (9.23785s) stopped
T25 >> 1462701345.02610612 libvdwxc nonlocal (56.76747s) started
T25 << 1462701363.57961798 libvdwxc nonlocal (75.32098s) stopped
T25 >> 1462701363.57969093 redistribute (9.23788s) started
T25 << 1462701365.41070294 redistribute (11.06889s) stopped
T25 << 1462701365.41177011 van der Waals (112.16539s) stopped
T25 << 1462701365.91623092 XC 3D grid (116.22776s) stopped
T25 >> 1462701365.91627908 Poisson (61.14510s) started
T25 << 1462701382.92297101 Poisson (78.15179s) stopped
T25 >> 1462701382.92304397 Hartree integrate/restrict (1.22220s) started
T25 << 1462701382.96441507 Hartree integrate/restrict (1.26357s) stopped
T25 >> 1462701382.96458697 Hartree integrate/restrict (1.26370s) started
T25 << 1462701383.30072498 Hartree integrate/restrict (1.59983s) stopped
T25 >> 1462701383.35069990 Atomic (27.96069s) started
T25 >> 1462701383.36241198 XC Correction (16.72638s) started
T25 << 1462701390.07651711 XC Correction (23.44049s) stopped
T25 << 1462701393.71409798 Atomic (38.32409s) stopped
T25 >> 1462701393.71439695 Communicate (4.71251s) started
T25 << 1462701394.71991992 Communicate (5.71803s) stopped
T25 << 1462701394.71994495 Hamiltonian (240.41462s) stopped
T25 << 1462701394.72000289 LCAO WFS Initialize (286.32711s) stopped
T25 << 1462701394.73190999 Initialization (452.59941s) stopped
T25 >> 1462701394.75887990 SCF-cycle (4585.88547s) started
T25 >> 1462701394.75892305 LCAO eigensolver (2438.46616s) started
T25 >> 1462701394.75893593 Potential matrix (85.50653s) started
T25 << 1462701397.17679811 Potential matrix (87.92439s) stopped
T25 >> 1462701397.17687798 DistributedAtomicCorrection (35.81753s) started
T25 << 1462701398.25603509 DistributedAtomicCorrection (36.89669s) stopped
T25 >> 1462701398.25611401 Distribute overlap matrix (179.58969s) started
T25 >> 1462701398.25613809 blocked summation (175.40927s) started
T25 << 1462701403.45018291 blocked summation (180.60331s) stopped
T25 >> 1462701403.46024609 Scalapack redistribute (3.85646s) started
T25 << 1462701403.56391501 Scalapack redistribute (3.96013s) stopped
T25 << 1462701403.56403303 Distribute overlap matrix (184.89761s) stopped
T25 >> 1462701403.56948805 Blacs Orbital Layouts (1968.83710s) started
T25 >> 1462701403.57755303 General diagonalize (1959.27729s) started
T25 << 1462701463.42225003 General diagonalize (2019.12199s) stopped
T25 >> 1462701463.42229700 Redistribute coefs (0.68898s) started
T25 << 1462701463.43605709 Redistribute coefs (0.70274s) stopped
T25 >> 1462701463.43611908 Send coefs to domains (8.56059s) started
T25 << 1462701463.53473401 Send coefs to domains (8.65921s) stopped
T25 << 1462701463.53508306 Blacs Orbital Layouts (2028.80270s) stopped
T25 >> 1462701463.53511310 Calculate projections (168.51411s) started
T25 << 1462701468.50472903 Calculate projections (173.48373s) stopped
T25 << 1462701468.50505900 LCAO eigensolver (2512.21229s) stopped
T25 >> 1462701469.96981907 Density (506.38983s) started
T25 >> 1462701469.96983504 Pseudo density (407.14485s) started
T25 >> 1462701469.97105289 Calculate density matrix (351.30320s) started
T25 << 1462701482.05984902 Calculate density matrix (363.39199s) stopped
T25 >> 1462701482.05990791 Construct density (55.24817s) started
T25 << 1462701483.74656296 Construct density (56.93483s) stopped
T25 >> 1462701483.75833702 Symmetrize density (0.00240s) started
T25 << 1462701483.75839996 Symmetrize density (0.00246s) stopped
T25 << 1462701483.76049805 Pseudo density (420.93552s) stopped
T25 >> 1462701483.76055908 Atomic density matrices (82.12634s) started
T25 << 1462701486.39693189 Atomic density matrices (84.76271s) stopped
T25 >> 1462701486.39697289 Multipole moments (0.25160s) started
T25 << 1462701486.40395904 Multipole moments (0.25859s) stopped
T25 >> 1462701486.40399408 Normalize (0.26342s) started
T25 << 1462701486.41189790 Normalize (0.27132s) stopped
T25 >> 1462701486.41194606 Mix (16.60090s) started
T25 << 1462701486.83095503 Mix (17.01991s) stopped
T25 << 1462701486.83105993 Density (523.25107s) stopped
T25 >> 1462701486.83117700 Hamiltonian (1584.54516s) started
T25 >> 1462701486.83119512 vbar (0.90583s) started
T25 << 1462701486.86250305 vbar (0.93714s) stopped
T25 >> 1462701486.86262989 XC 3D grid (938.94391s) started
T25 >> 1462701487.35538292 van der Waals (906.57730s) started
T25 >> 1462701487.49772000 semilocal (196.51091s) started
T25 << 1462701493.65520692 semilocal (202.66840s) stopped
T25 >> 1462701493.71861410 redistribute (90.12434s) started
T25 << 1462701494.73216891 redistribute (91.13789s) stopped
T25 >> 1462701494.73221207 libvdwxc nonlocal (613.40724s) started
T25 << 1462701513.69671297 libvdwxc nonlocal (632.37174s) stopped
T25 >> 1462701513.69675398 redistribute (91.13792s) started
T25 << 1462701515.35988498 redistribute (92.80106s) stopped
T25 << 1462701515.36176109 van der Waals (934.58368s) stopped
T25 << 1462701515.86299109 XC 3D grid (967.94427s) stopped
T25 >> 1462701515.86304092 Poisson (317.43939s) started
T25 << 1462701527.24638891 Poisson (328.82274s) stopped
T25 >> 1462701527.24644899 Hartree integrate/restrict (12.35002s) started
T25 << 1462701527.29514790 Hartree integrate/restrict (12.39871s) stopped
T25 >> 1462701527.29519296 Hartree integrate/restrict (12.39874s) started
T25 << 1462701527.62418509 Hartree integrate/restrict (12.72774s) stopped
T25 >> 1462701527.67589402 Atomic (270.50464s) started
T25 >> 1462701527.68710804 XC Correction (166.77410s) started
T25 << 1462701534.18904400 XC Correction (173.27603s) stopped
T25 << 1462701537.01970911 Atomic (279.84846s) stopped
T25 >> 1462701537.01994705 Communicate (42.80761s) started
T25 << 1462701538.34657192 Communicate (44.13423s) stopped
T25 << 1462701538.34659600 Hamiltonian (1636.06058s) stopped
T25 >> 1462701538.34665799 LCAO eigensolver (2512.21231s) started
T25 >> 1462701538.34667110 Potential matrix (87.92443s) started
T25 << 1462701540.75251889 Potential matrix (90.33028s) stopped
T25 >> 1462701540.75258899 DistributedAtomicCorrection (36.89672s) started
T25 << 1462701541.83170295 DistributedAtomicCorrection (37.97584s) stopped
T25 >> 1462701541.83178401 Distribute overlap matrix (184.89762s) started
T25 >> 1462701541.83180594 blocked summation (180.60334s) started
T25 << 1462701546.95532203 blocked summation (185.72686s) stopped
T25 >> 1462701546.96490097 Scalapack redistribute (3.96019s) started
T25 << 1462701547.06905699 Scalapack redistribute (4.06435s) stopped
T25 << 1462701547.06912208 Distribute overlap matrix (190.13496s) stopped
T25 >> 1462701547.07382894 Blacs Orbital Layouts (2028.80272s) started
T25 >> 1462701547.08188009 General diagonalize (2019.12203s) started
T25 << 1462701604.77979589 General diagonalize (2076.81994s) stopped
T25 >> 1462701604.77984309 Redistribute coefs (0.70279s) started
T25 << 1462701604.79575109 Redistribute coefs (0.71870s) stopped
T25 >> 1462701604.79579401 Send coefs to domains (8.65925s) started
T25 << 1462701605.01617193 Send coefs to domains (8.87962s) stopped
T25 << 1462701605.01661801 Blacs Orbital Layouts (2086.74551s) stopped
T25 >> 1462701605.01664591 Calculate projections (173.48379s) started
T25 << 1462701609.95983791 Calculate projections (178.42698s) stopped
T25 << 1462701609.96019506 LCAO eigensolver (2583.82585s) stopped
T25 >> 1462701611.61320996 Density (523.25109s) started
T25 >> 1462701611.61322498 Pseudo density (420.93557s) started
T25 >> 1462701611.61592793 Calculate density matrix (363.39203s) started
T25 << 1462701623.13896394 Calculate density matrix (374.91507s) stopped
T25 >> 1462701623.13902712 Construct density (56.93488s) started
T25 << 1462701624.82662702 Construct density (58.62248s) stopped
T25 >> 1462701624.84105110 Symmetrize density (0.00248s) started
T25 << 1462701624.84111309 Symmetrize density (0.00254s) stopped
T25 << 1462701624.84351611 Pseudo density (434.16586s) stopped
T25 >> 1462701624.84357405 Atomic density matrices (84.76274s) started
T25 << 1462701627.47642207 Atomic density matrices (87.39559s) stopped
T25 >> 1462701627.47645807 Multipole moments (0.25861s) started
T25 << 1462701627.48567390 Multipole moments (0.26782s) stopped
T25 >> 1462701627.48570800 Normalize (0.27136s) started
T25 << 1462701627.49791789 Normalize (0.28357s) stopped
T25 >> 1462701627.49797797 Mix (17.02001s) started
T25 << 1462701627.94032788 Mix (17.46236s) stopped
T25 << 1462701627.94039202 Density (539.57827s) stopped
T25 >> 1462701627.94048309 Hamiltonian (1636.06059s) started
T25 >> 1462701627.94049811 vbar (0.93722s) started
T25 << 1462701627.96034193 vbar (0.95706s) stopped
T25 >> 1462701627.96042395 XC 3D grid (967.94431s) started
T25 >> 1462701628.55184793 van der Waals (934.58373s) started
T25 >> 1462701628.68388891 semilocal (202.66846s) started
T25 << 1462701634.98012304 semilocal (208.96470s) stopped
T25 >> 1462701635.04239893 redistribute (92.80112s) started
T25 << 1462701635.94284511 redistribute (93.70157s) stopped
T25 >> 1462701635.94288993 libvdwxc nonlocal (632.37177s) started
T25 << 1462701655.36019897 libvdwxc nonlocal (651.78908s) stopped
T25 >> 1462701655.36024094 redistribute (93.70160s) started
T25 << 1462701657.14990902 redistribute (95.49127s) stopped
T25 << 1462701657.15129209 van der Waals (963.18318s) stopped
T25 << 1462701657.66093206 XC 3D grid (997.64481s) stopped
T25 >> 1462701657.66100192 Poisson (328.82278s) started
T25 << 1462701666.26282001 Poisson (337.42460s) stopped
T25 >> 1462701666.26288795 Hartree integrate/restrict (12.72777s) started
T25 << 1462701666.31827307 Hartree integrate/restrict (12.78315s) stopped
T25 >> 1462701666.31832409 Hartree integrate/restrict (12.78318s) started
T25 << 1462701666.64461398 Hartree integrate/restrict (13.10947s) stopped
T25 >> 1462701666.69445610 Atomic (279.84848s) started
T25 >> 1462701666.70559502 XC Correction (173.27606s) started
T25 << 1462701673.21793199 XC Correction (179.78840s) stopped
T25 << 1462701676.04036498 Atomic (289.19439s) stopped
T25 >> 1462701676.04056811 Communicate (44.13425s) started
T25 << 1462701677.19545007 Communicate (45.28913s) stopped
T25 << 1462701677.19547391 Hamiltonian (1685.31558s) stopped
T25 >> 1462701677.19553089 LCAO eigensolver (2583.82586s) started
T25 >> 1462701677.19554305 Potential matrix (90.33032s) started
T25 << 1462701679.60822392 Potential matrix (92.74300s) stopped
T25 >> 1462701679.60830808 DistributedAtomicCorrection (37.97587s) started
T25 << 1462701680.70723295 DistributedAtomicCorrection (39.07480s) stopped
T25 >> 1462701680.70732689 Distribute overlap matrix (190.13497s) started
T25 >> 1462701680.70734906 blocked summation (185.72689s) started
T25 << 1462701685.80930495 blocked summation (190.82885s) stopped
T25 >> 1462701685.81908202 Scalapack redistribute (4.06440s) started
T25 << 1462701685.92498112 Scalapack redistribute (4.17030s) stopped
T25 << 1462701685.92508793 Distribute overlap matrix (195.35273s) stopped
T25 >> 1462701685.93149090 Blacs Orbital Layouts (2086.74553s) started
T25 >> 1462701685.94086504 General diagonalize (2076.81999s) started
T25 << 1462701742.90723705 General diagonalize (2133.78636s) stopped
T25 >> 1462701742.90728402 Redistribute coefs (0.71873s) started
T25 << 1462701742.92228198 Redistribute coefs (0.73373s) stopped
T25 >> 1462701742.92232299 Send coefs to domains (8.87967s) started
T25 << 1462701743.05865598 Send coefs to domains (9.01600s) stopped
T25 << 1462701743.05936503 Blacs Orbital Layouts (2143.87340s) stopped
T25 >> 1462701743.05939293 Calculate projections (178.42703s) started
T25 << 1462701747.99741507 Calculate projections (183.36505s) stopped
T25 << 1462701747.99776006 LCAO eigensolver (2654.62809s) stopped
T25 >> 1462701749.85469604 Density (539.57828s) started
T25 >> 1462701749.85471010 Pseudo density (434.16590s) started
T25 >> 1462701749.85720396 Calculate density matrix (374.91511s) started
T25 << 1462701761.31538200 Calculate density matrix (386.37328s) stopped
T25 >> 1462701761.31543994 Construct density (58.62253s) started
T25 << 1462701762.99747205 Construct density (60.30456s) stopped
T25 >> 1462701763.01171708 Symmetrize density (0.00256s) started
T25 << 1462701763.01177812 Symmetrize density (0.00262s) stopped
T25 << 1462701763.01416993 Pseudo density (447.32536s) stopped
T25 >> 1462701763.01422310 Atomic density matrices (87.39562s) started
T25 << 1462701765.64641309 Atomic density matrices (90.02781s) stopped
T25 >> 1462701765.64645004 Multipole moments (0.26784s) started
T25 << 1462701765.65461493 Multipole moments (0.27600s) stopped
T25 >> 1462701765.65464807 Normalize (0.28361s) started
T25 << 1462701765.66758299 Normalize (0.29655s) stopped
T25 >> 1462701765.66767192 Mix (17.46242s) started
T25 << 1462701766.14909792 Mix (17.94385s) stopped
T25 << 1462701766.14919806 Density (555.87279s) stopped
T25 >> 1462701766.14932489 Hamiltonian (1685.31560s) started
T25 >> 1462701766.14934397 vbar (0.95711s) started
T25 << 1462701766.18935204 vbar (0.99711s) stopped
T25 >> 1462701766.18947911 XC 3D grid (997.64488s) started
T25 >> 1462701766.70228100 van der Waals (963.18325s) started
T25 >> 1462701766.83682990 semilocal (208.96474s) started
T25 << 1462701773.02241993 semilocal (215.15033s) stopped
T25 >> 1462701773.08385110 redistribute (95.49131s) started
T25 << 1462701774.11209702 redistribute (96.51956s) stopped
T25 >> 1462701774.11213994 libvdwxc nonlocal (651.78911s) started
T25 << 1462701793.23141193 libvdwxc nonlocal (670.90838s) stopped
T25 >> 1462701793.23148704 redistribute (96.51959s) started
T25 << 1462701794.89904189 redistribute (98.18715s) stopped
T25 << 1462701794.90064812 van der Waals (991.38162s) stopped
T25 << 1462701795.40269804 XC 3D grid (1026.85809s) stopped
T25 >> 1462701795.40274096 Poisson (337.42465s) started
T25 << 1462701805.46329403 Poisson (347.48520s) stopped
T25 >> 1462701805.46335793 Hartree integrate/restrict (13.10951s) started
T25 << 1462701805.51166010 Hartree integrate/restrict (13.15781s) stopped
T25 >> 1462701805.51170301 Hartree integrate/restrict (13.15784s) started
T25 << 1462701805.84080195 Hartree integrate/restrict (13.48694s) stopped
T25 >> 1462701805.89192200 Atomic (289.19441s) started
T25 >> 1462701805.90301895 XC Correction (179.78843s) started
T25 << 1462701812.25816202 XC Correction (186.14357s) stopped
T25 << 1462701814.73908401 Atomic (298.04157s) stopped
T25 >> 1462701814.73931098 Communicate (45.28914s) started
T25 << 1462701816.27209902 Communicate (46.82193s) stopped
T25 << 1462701816.27212405 Hamiltonian (1735.43839s) stopped
T25 >> 1462701816.27218509 LCAO eigensolver (2654.62811s) started
T25 >> 1462701816.27219796 Potential matrix (92.74305s) started
T25 << 1462701818.67008591 Potential matrix (95.14094s) stopped
T25 >> 1462701818.67016912 DistributedAtomicCorrection (39.07483s) started
T25 << 1462701819.75378895 DistributedAtomicCorrection (40.15845s) stopped
T25 >> 1462701819.75381994 Distribute overlap matrix (195.35275s) started
T25 >> 1462701819.75387812 blocked summation (190.82888s) started
T25 << 1462701824.88372898 blocked summation (195.95873s) stopped
T25 >> 1462701824.89313602 Scalapack redistribute (4.17038s) started
T25 << 1462701825.01838803 Scalapack redistribute (4.29563s) stopped
T25 << 1462701825.01845288 Distribute overlap matrix (200.61738s) stopped
T25 >> 1462701825.02643394 Blacs Orbital Layouts (2143.87342s) started
T25 >> 1462701825.03485203 General diagonalize (2133.78639s) started
T25 << 1462701881.88566995 General diagonalize (2190.63721s) stopped
T25 >> 1462701881.88571692 Redistribute coefs (0.73376s) started
T25 << 1462701881.90140200 Redistribute coefs (0.74945s) stopped
T25 >> 1462701881.90144396 Send coefs to domains (9.01604s) started
T25 << 1462701882.12878108 Send coefs to domains (9.24338s) stopped
T25 << 1462701882.12936497 Blacs Orbital Layouts (2200.97635s) stopped
T25 >> 1462701882.12939501 Calculate projections (183.36511s) started
T25 << 1462701887.05293894 Calculate projections (188.28865s) stopped
T25 << 1462701887.05328608 LCAO eigensolver (2725.40921s) stopped
T25 >> 1462701888.59062791 Density (555.87280s) started
T25 >> 1462701888.59064198 Pseudo density (447.32541s) started
T25 >> 1462701888.59236908 Calculate density matrix (386.37332s) started
T25 << 1462701900.65740609 Calculate density matrix (398.43836s) stopped
T25 >> 1462701900.65746307 Construct density (60.30461s) started
T25 << 1462701902.34645104 Construct density (61.99360s) stopped
T25 >> 1462701902.36078501 Symmetrize density (0.00264s) started
T25 << 1462701902.36084795 Symmetrize density (0.00270s) stopped
T25 << 1462701902.36322188 Pseudo density (461.09799s) stopped
T25 >> 1462701902.36327600 Atomic density matrices (90.02783s) started
T25 << 1462701904.96103597 Atomic density matrices (92.62559s) stopped
T25 >> 1462701904.96107197 Multipole moments (0.27602s) started
T25 << 1462701904.96932197 Multipole moments (0.28427s) stopped
T25 >> 1462701904.96935511 Normalize (0.29662s) started
T25 << 1462701904.98161602 Normalize (0.30888s) stopped
T25 >> 1462701904.98173499 Mix (17.94394s) started
T25 << 1462701905.47289300 Mix (18.43510s) stopped
T25 << 1462701905.47295690 Density (572.75513s) stopped
T25 >> 1462701905.47303891 Hamiltonian (1735.43841s) started
T25 >> 1462701905.47305489 vbar (0.99719s) started
T25 << 1462701905.49095511 vbar (1.01509s) stopped
T25 >> 1462701905.49106193 XC 3D grid (1026.85813s) started
T25 >> 1462701906.31390190 van der Waals (991.38170s) started
T25 >> 1462701906.40665793 semilocal (215.15042s) started
T25 << 1462701912.50865602 semilocal (221.25242s) stopped
T25 >> 1462701912.56905103 redistribute (98.18722s) started
T25 << 1462701913.51545691 redistribute (99.13363s) stopped
T25 >> 1462701913.51550198 libvdwxc nonlocal (670.90844s) started
T25 << 1462701932.64289308 libvdwxc nonlocal (690.03583s) stopped
T25 >> 1462701932.64293408 redistribute (99.13366s) started
T25 << 1462701934.38966203 redistribute (100.88039s) stopped
T25 << 1462701934.39113402 van der Waals (1019.45893s) stopped
T25 << 1462701934.90839195 XC 3D grid (1056.27546s) stopped
T25 >> 1462701934.90843391 Poisson (347.48524s) started
T25 << 1462701942.07133508 Poisson (354.64815s) stopped
T25 >> 1462701942.07139993 Hartree integrate/restrict (13.48697s) started
T25 << 1462701942.11357403 Hartree integrate/restrict (13.52915s) stopped
T25 >> 1462701942.11368394 Hartree integrate/restrict (13.52922s) started
T25 << 1462701942.45127106 Hartree integrate/restrict (13.86681s) stopped
T25 >> 1462701942.50332904 Atomic (298.04159s) started
T25 >> 1462701942.51443100 XC Correction (186.14360s) started
T25 << 1462701948.59660506 XC Correction (192.22577s) stopped
T25 << 1462701951.21695209 Atomic (306.75522s) stopped
T25 >> 1462701951.21715999 Communicate (46.82195s) started
T25 << 1462701952.83929610 Communicate (48.44408s) stopped
T25 << 1462701952.83932090 Hamiltonian (1782.80469s) stopped
T25 >> 1462701952.83938003 LCAO eigensolver (2725.40923s) started
T25 >> 1462701952.83939290 Potential matrix (95.14099s) started
T25 << 1462701955.24597192 Potential matrix (97.54757s) stopped
T25 >> 1462701955.24606109 DistributedAtomicCorrection (40.15848s) started
T25 << 1462701956.31651497 DistributedAtomicCorrection (41.22893s) stopped
T25 >> 1462701956.31659794 Distribute overlap matrix (200.61739s) started
T25 >> 1462701956.31662107 blocked summation (195.95876s) started
T25 << 1462701961.54004908 blocked summation (201.18219s) stopped
T25 >> 1462701961.54954290 Scalapack redistribute (4.29567s) started
T25 << 1462701961.65001702 Scalapack redistribute (4.39614s) stopped
T25 << 1462701961.65008211 Distribute overlap matrix (205.95088s) stopped
T25 >> 1462701961.65514588 Blacs Orbital Layouts (2200.97637s) started
T25 >> 1462701961.66350698 General diagonalize (2190.63725s) started
T25 << 1462702015.93952608 General diagonalize (2244.91327s) stopped
T25 >> 1462702015.93957591 Redistribute coefs (0.74948s) started
T25 << 1462702015.95637488 Redistribute coefs (0.76628s) stopped
T25 >> 1462702015.95642304 Send coefs to domains (9.24341s) started
T25 << 1462702016.05724907 Send coefs to domains (9.34424s) stopped
T25 << 1462702016.05774808 Blacs Orbital Layouts (2255.37897s) stopped
T25 >> 1462702016.05777597 Calculate projections (188.28870s) started
T25 << 1462702020.98440695 Calculate projections (193.21533s) stopped
T25 << 1462702020.98474598 LCAO eigensolver (2793.55460s) stopped
T25 >> 1462702022.50275707 Density (572.75515s) started
T25 >> 1462702022.50277090 Pseudo density (461.09803s) started
T25 >> 1462702022.50459290 Calculate density matrix (398.43840s) started
T25 << 1462702034.00467610 Calculate density matrix (409.93848s) stopped
T25 >> 1462702034.00473690 Construct density (61.99366s) started
T25 << 1462702035.69361806 Construct density (63.68254s) stopped
T25 >> 1462702035.70779204 Symmetrize density (0.00272s) started
T25 << 1462702035.70785308 Symmetrize density (0.00278s) stopped
T25 << 1462702035.71020889 Pseudo density (474.30547s) stopped
T25 >> 1462702035.71026111 Atomic density matrices (92.62562s) started
T25 << 1462702038.34741402 Atomic density matrices (95.26277s) stopped
T25 >> 1462702038.34744811 Multipole moments (0.28429s) started
T25 << 1462702038.35503101 Multipole moments (0.29187s) stopped
T25 >> 1462702038.35506511 Normalize (0.30898s) started
T25 << 1462702038.36957097 Normalize (0.32348s) stopped
T25 >> 1462702038.36966896 Mix (18.43516s) started
T25 << 1462702038.94505191 Mix (19.01055s) stopped
T25 << 1462702038.94512105 Density (589.19751s) stopped
T25 >> 1462702038.94521189 Hamiltonian (1782.80470s) started
T25 >> 1462702038.94522691 vbar (1.01514s) started
T25 << 1462702038.96807694 vbar (1.03799s) stopped
T25 >> 1462702038.96818900 XC 3D grid (1056.27549s) started
T25 >> 1462702039.51966691 van der Waals (1019.45900s) started
T25 >> 1462702039.65454412 semilocal (221.25249s) started
T25 << 1462702045.77843809 semilocal (227.37639s) stopped
T25 >> 1462702045.85290289 redistribute (100.88047s) started
T25 << 1462702046.87945509 redistribute (101.90702s) stopped
T25 >> 1462702046.87949896 libvdwxc nonlocal (690.03586s) started
T25 << 1462702065.87464905 libvdwxc nonlocal (709.03101s) stopped
T25 >> 1462702065.87471509 redistribute (101.90705s) started
T25 << 1462702067.63849092 redistribute (103.67083s) stopped
T25 << 1462702067.64004898 van der Waals (1047.57938s) stopped
T25 << 1462702068.14243793 XC 3D grid (1085.44974s) stopped
T25 >> 1462702068.14247894 Poisson (354.64819s) started
T25 << 1462702073.84473205 Poisson (360.35044s) stopped
T25 >> 1462702073.84481692 Hartree integrate/restrict (13.86684s) started
T25 << 1462702073.88751197 Hartree integrate/restrict (13.90954s) stopped
T25 >> 1462702073.88764000 Hartree integrate/restrict (13.90963s) started
T25 << 1462702074.23028398 Hartree integrate/restrict (14.25227s) stopped
T25 >> 1462702074.28300595 Atomic (306.75524s) started
T25 >> 1462702074.29411697 XC Correction (192.22579s) started
T25 << 1462702080.31981111 XC Correction (198.25149s) stopped
T25 << 1462702082.78532004 Atomic (315.25755s) stopped
T25 >> 1462702082.78551793 Communicate (48.44410s) started
T25 << 1462702084.52745199 Communicate (50.18603s) stopped
T25 << 1462702084.52747703 Hamiltonian (1828.38697s) stopped
T25 >> 1462702084.52753997 LCAO eigensolver (2793.55461s) started
T25 >> 1462702084.52755308 Potential matrix (97.54762s) started
T25 << 1462702086.95535111 Potential matrix (99.97542s) stopped
T25 >> 1462702086.95542312 DistributedAtomicCorrection (41.22897s) started
T25 << 1462702088.02864099 DistributedAtomicCorrection (42.30218s) stopped
T25 >> 1462702088.02871990 Distribute overlap matrix (205.95089s) started
T25 >> 1462702088.02874303 blocked summation (201.18222s) started
T25 << 1462702093.18354893 blocked summation (206.33703s) stopped
T25 >> 1462702093.19240904 Scalapack redistribute (4.39618s) started
T25 << 1462702093.32383704 Scalapack redistribute (4.52761s) stopped
T25 << 1462702093.32391596 Distribute overlap matrix (211.24609s) stopped
T25 >> 1462702093.32883310 Blacs Orbital Layouts (2255.37899s) started
T25 >> 1462702093.33689904 General diagonalize (2244.91331s) started
T25 << 1462702149.72895908 General diagonalize (2301.30537s) stopped
T25 >> 1462702149.72900891 Redistribute coefs (0.76632s) started
T25 << 1462702149.74310899 Redistribute coefs (0.78042s) stopped
T25 >> 1462702149.74315095 Send coefs to domains (9.34428s) started
T25 << 1462702149.99697399 Send coefs to domains (9.59810s) stopped
T25 << 1462702149.99749303 Blacs Orbital Layouts (2312.04765s) stopped
T25 >> 1462702149.99752092 Calculate projections (193.21538s) started
T25 << 1462702154.96742392 Calculate projections (198.18528s) stopped
T25 << 1462702154.96762896 LCAO eigensolver (2863.99470s) stopped
T25 >> 1462702156.43856311 Density (589.19753s) started
T25 >> 1462702156.43857694 Pseudo density (474.30551s) started
T25 >> 1462702156.43991899 Calculate density matrix (409.93852s) started
T25 << 1462702168.02921391 Calculate density matrix (421.52782s) stopped
T25 >> 1462702168.02926993 Construct density (63.68259s) started
T25 << 1462702169.71177602 Construct density (65.36509s) stopped
T25 >> 1462702169.72390294 Symmetrize density (0.00279s) started
T25 << 1462702169.72397208 Symmetrize density (0.00286s) stopped
T25 << 1462702169.72607088 Pseudo density (487.59300s) stopped
T25 >> 1462702169.72613001 Atomic density matrices (95.26280s) started
T25 << 1462702172.35356903 Atomic density matrices (97.89023s) stopped
T25 >> 1462702172.35360503 Multipole moments (0.29189s) started
T25 << 1462702172.36267400 Multipole moments (0.30096s) stopped
T25 >> 1462702172.36270905 Normalize (0.32356s) started
T25 << 1462702172.37047791 Normalize (0.33133s) stopped
T25 >> 1462702172.37058806 Mix (19.01061s) started
T25 << 1462702172.91251111 Mix (19.55253s) stopped
T25 << 1462702172.91258001 Density (605.67155s) stopped
T25 >> 1462702172.91268206 Hamiltonian (1828.38698s) started
T25 >> 1462702172.91269898 vbar (1.03805s) started
T25 << 1462702172.93542695 vbar (1.06078s) stopped
T25 >> 1462702172.93555689 XC 3D grid (1085.44978s) started
T25 >> 1462702173.49856710 van der Waals (1047.57943s) started
T25 >> 1462702173.63401103 semilocal (227.37646s) started
T25 << 1462702179.88449502 semilocal (233.62694s) stopped
T25 >> 1462702179.95785093 redistribute (103.67088s) started
T25 << 1462702180.88061690 redistribute (104.59365s) stopped
T25 >> 1462702180.88066101 libvdwxc nonlocal (709.03106s) started
T25 << 1462702199.96324492 libvdwxc nonlocal (728.11364s) stopped
T25 >> 1462702199.96331811 redistribute (104.59368s) started
T25 << 1462702203.15172911 redistribute (107.78209s) stopped
T25 << 1462702203.15283298 van der Waals (1077.23369s) stopped
T25 << 1462702203.66238999 XC 3D grid (1116.17661s) stopped
T25 >> 1462702203.66243100 Poisson (360.35050s) started
T25 << 1462702208.13539505 Poisson (364.82347s) stopped
T25 >> 1462702208.13549590 Hartree integrate/restrict (14.25230s) started
T25 << 1462702208.17497110 Hartree integrate/restrict (14.29178s) stopped
T25 >> 1462702208.17503595 Hartree integrate/restrict (14.29181s) started
T25 << 1462702208.52677798 Hartree integrate/restrict (14.64356s) stopped
T25 >> 1462702208.57945609 Atomic (315.25757s) started
T25 >> 1462702208.59070396 XC Correction (198.25151s) started
T25 << 1462702214.59776592 XC Correction (204.25857s) stopped
T25 << 1462702217.11398506 Atomic (323.79210s) stopped
T25 >> 1462702217.11422801 Communicate (50.18605s) started
T25 << 1462702218.86523390 Communicate (51.93706s) stopped
T25 << 1462702218.86525989 Hamiltonian (1874.33956s) stopped
T25 >> 1462702218.86532807 LCAO eigensolver (2863.99472s) started
T25 >> 1462702218.86534095 Potential matrix (99.97546s) started
T25 << 1462702221.26999402 Potential matrix (102.38011s) stopped
T25 >> 1462702221.27008605 DistributedAtomicCorrection (42.30222s) started
T25 << 1462702222.35933590 DistributedAtomicCorrection (43.39147s) stopped
T25 >> 1462702222.35940695 Distribute overlap matrix (211.24610s) started
T25 >> 1462702222.35943198 blocked summation (206.33706s) started
T25 << 1462702227.51226091 blocked summation (211.48989s) stopped
T25 >> 1462702227.52151203 Scalapack redistribute (4.52766s) started
T25 << 1462702227.61043406 Scalapack redistribute (4.61659s) stopped
T25 << 1462702227.61049199 Distribute overlap matrix (216.49718s) stopped
T25 >> 1462702227.61697412 Blacs Orbital Layouts (2312.04767s) started
T25 >> 1462702227.62570691 General diagonalize (2301.30541s) started
T25 << 1462702284.20211792 General diagonalize (2357.88182s) stopped
T25 >> 1462702284.20216703 Redistribute coefs (0.78045s) started
T25 << 1462702284.21696305 Redistribute coefs (0.79525s) stopped
T25 >> 1462702284.21702504 Send coefs to domains (9.59814s) started
T25 << 1462702284.30412292 Send coefs to domains (9.68524s) stopped
T25 << 1462702284.30481791 Blacs Orbital Layouts (2368.73551s) stopped
T25 >> 1462702284.30484700 Calculate projections (198.18534s) started
T25 << 1462702289.27956390 Calculate projections (203.16006s) stopped
T25 << 1462702289.27988291 LCAO eigensolver (2934.40928s) stopped
T25 >> 1462702290.75546694 Density (605.67156s) started
T25 >> 1462702290.75548100 Pseudo density (487.59305s) started
T25 >> 1462702290.75713611 Calculate density matrix (421.52785s) started
T25 << 1462702302.30935001 Calculate density matrix (433.08007s) stopped
T25 >> 1462702302.30940604 Construct density (65.36514s) started
T25 << 1462702303.99651694 Construct density (67.05225s) stopped
T25 >> 1462702304.00950909 Symmetrize density (0.00288s) started
T25 << 1462702304.00956202 Symmetrize density (0.00293s) stopped
T25 << 1462702304.01161695 Pseudo density (500.84918s) stopped
T25 >> 1462702304.01166296 Atomic density matrices (97.89026s) started
T25 << 1462702306.64019990 Atomic density matrices (100.51880s) stopped
T25 >> 1462702306.64023590 Multipole moments (0.30098s) started
T25 << 1462702306.64932203 Multipole moments (0.31006s) stopped
T25 >> 1462702306.64935589 Normalize (0.33143s) started
T25 << 1462702306.65716290 Normalize (0.33923s) stopped
T25 >> 1462702306.65721202 Mix (19.55260s) started
T25 << 1462702307.17223406 Mix (20.06762s) stopped
T25 << 1462702307.17233491 Density (622.08843s) stopped
T25 >> 1462702307.17272902 Hamiltonian (1874.33957s) started
T25 >> 1462702307.17275095 vbar (1.06085s) started
T25 << 1462702307.20478010 vbar (1.09288s) stopped
T25 >> 1462702307.20489407 XC 3D grid (1116.17664s) started
T25 >> 1462702307.72293806 van der Waals (1077.23373s) started
T25 >> 1462702307.85536504 semilocal (233.62703s) started
T25 << 1462702313.97309208 semilocal (239.74475s) stopped
T25 >> 1462702314.07019591 redistribute (107.78213s) started
T25 << 1462702315.11875200 redistribute (108.83068s) stopped
T25 >> 1462702315.11879396 libvdwxc nonlocal (728.11370s) started
T25 << 1462702334.71151805 libvdwxc nonlocal (747.70642s) stopped
T25 >> 1462702334.71157908 redistribute (108.83071s) started
T25 << 1462702337.63698602 redistribute (111.75612s) stopped
T25 << 1462702337.63806891 van der Waals (1107.14886s) stopped
T25 << 1462702338.14655995 XC 3D grid (1147.11831s) stopped
T25 >> 1462702338.14660192 Poisson (364.82355s) started
T25 << 1462702342.61807990 Poisson (369.29503s) stopped
T25 >> 1462702342.61814094 Hartree integrate/restrict (14.64361s) started
T25 << 1462702342.66114807 Hartree integrate/restrict (14.68662s) stopped
T25 >> 1462702342.66122007 Hartree integrate/restrict (14.68666s) started
T25 << 1462702343.01992011 Hartree integrate/restrict (15.04536s) stopped
T25 >> 1462702343.07214999 Atomic (323.79212s) started
T25 >> 1462702343.08334899 XC Correction (204.25861s) started
T25 << 1462702349.11143589 XC Correction (210.28669s) stopped
T25 << 1462702351.55804396 Atomic (332.27802s) stopped
T25 >> 1462702351.55826807 Communicate (51.93707s) started
T25 << 1462702353.33293700 Communicate (53.71174s) stopped
T25 << 1462702353.33296299 Hamiltonian (1920.49981s) stopped
T25 >> 1462702353.33303189 LCAO eigensolver (2934.40929s) started
T25 >> 1462702353.33304691 Potential matrix (102.38016s) started
T25 << 1462702355.75122595 Potential matrix (104.79834s) stopped
T25 >> 1462702355.75130606 DistributedAtomicCorrection (43.39149s) started
T25 << 1462702356.83467388 DistributedAtomicCorrection (44.47486s) stopped
T25 >> 1462702356.83475995 Distribute overlap matrix (216.49720s) started
T25 >> 1462702356.83478498 blocked summation (211.48992s) started
T25 << 1462702362.27623796 blocked summation (216.93137s) stopped
T25 >> 1462702362.28570700 Scalapack redistribute (4.61663s) started
T25 << 1462702362.40858006 Scalapack redistribute (4.73950s) stopped
T25 << 1462702362.40865898 Distribute overlap matrix (222.07109s) stopped
T25 >> 1462702362.41328692 Blacs Orbital Layouts (2368.73553s) started
T25 >> 1462702362.42182994 General diagonalize (2357.88186s) started
T25 << 1462702418.49158096 General diagonalize (2413.95161s) stopped
T25 >> 1462702418.49162889 Redistribute coefs (0.79529s) started
T25 << 1462702418.50612402 Redistribute coefs (0.80979s) stopped
T25 >> 1462702418.50616693 Send coefs to domains (9.68527s) started
T25 << 1462702418.60378790 Send coefs to domains (9.78289s) stopped
T25 << 1462702418.60422802 Blacs Orbital Layouts (2424.92647s) stopped
T25 >> 1462702418.60425711 Calculate projections (203.16011s) started
T25 << 1462702423.57967806 Calculate projections (208.13553s) stopped
T25 << 1462702423.57999110 LCAO eigensolver (3004.65625s) stopped
T25 << 1462702425.05404711 SCF-cycle (5616.18064s) stopped
T25 >> 1462702426.59570599 Force calculation (257.42505s) started
T25 >> 1462702426.59577799 LCAO forces (230.69899s) started
T25 >> 1462702426.59614801 Initial (0.00007s) started
T25 << 1462702426.59615993 Initial (0.00008s) stopped
T25 >> 1462702426.60165405 Get density matrix (106.21250s) started
T25 << 1462702436.28399801 Get density matrix (115.89485s) stopped
T25 >> 1462702436.28406191 Potential (39.32387s) started
T25 << 1462702449.05484509 Potential (52.09465s) stopped
T25 >> 1462702449.05490208 Get density matrix (115.89490s) started
T25 << 1462702475.76955295 Get density matrix (142.60955s) stopped
T25 >> 1462702475.76961994 Prepare TCI loop (7.36871s) started
T25 >> 1462702475.77016091 Get neighbors (6.37035s) started
T25 << 1462702478.04576492 Get neighbors (8.64595s) stopped
T25 >> 1462702478.04679298 broadcast dH (0.99604s) started
T25 << 1462702478.19627094 broadcast dH (1.14552s) stopped
T25 << 1462702478.19632006 Prepare TCI loop (9.79541s) stopped
T25 >> 1462702478.19633889 Not so complicated loop (30.23516s) started
T25 << 1462702488.57681394 Not so complicated loop (40.61563s) stopped
T25 >> 1462702488.69317198 Complicated loop (47.22180s) started
T25 << 1462702504.79107189 Complicated loop (63.31970s) stopped
T25 >> 1462702504.79759312 Wait for sum (0.00032s) started
T25 << 1462702504.79768300 Wait for sum (0.00041s) stopped
T25 << 1462702504.79769802 LCAO forces (308.90091s) stopped
T25 << 1462702512.85324597 Force calculation (343.68259s) stopped
T25 >> 1462702512.87063789 Initialization (452.59942s) started
T25 << 1462702512.87081099 Initialization (452.59959s) stopped
T25 >> 1462702512.87104201 Initialization (452.59961s) started
T25 << 1462702512.87117600 Initialization (452.59974s) stopped
T25 >> 1462702512.87131190 Initialization (452.59976s) started
T25 << 1462702512.87144899 Initialization (452.59990s) stopped
T25 >> 1462702536.17574096 Initialization (452.59992s) started
T25 >> 1462702536.50171399 Basic WFS set positions (0.42750s) started
T25 >> 1462702536.50173807 Redistribute (0.08140s) started
T25 << 1462702536.51687407 Redistribute (0.09654s) stopped
T25 << 1462702536.61921191 Basic WFS set positions (0.54500s) stopped
T25 >> 1462702536.61924100 Basis functions set positions (6.43051s) started
T25 << 1462702538.43760109 Basis functions set positions (8.24887s) stopped
T25 >> 1462702538.43959808 TCI: Calculate S, T, P (90.57595s) started
T25 << 1462702561.57077909 TCI: Calculate S, T, P (113.70714s) stopped
T25 >> 1462702561.57087994 blocked summation (52.10144s) started
T25 << 1462702576.05914497 blocked summation (66.58970s) stopped
T25 >> 1462702576.06854200 Scalapack redistribute (1.00678s) started
T25 << 1462702576.16966200 Scalapack redistribute (1.10790s) stopped
T25 >> 1462702576.17065406 blocked summation (66.58974s) started
T25 << 1462702577.49043989 blocked summation (67.90952s) stopped
T25 >> 1462702577.49996591 Scalapack redistribute (1.10796s) started
T25 << 1462702577.72303009 Scalapack redistribute (1.33102s) stopped
T25 >> 1462702577.72529411 Redistribute (0.22857s) started
T25 << 1462702577.80791092 Redistribute (0.31119s) stopped
T25 >> 1462702579.60909200 Redistribute (0.31122s) started
T25 << 1462702579.61034489 Redistribute (0.31247s) stopped
T25 >> 1462702579.64817405 LCAO WFS Initialize (286.32713s) started
T25 >> 1462702579.64821100 Density initialize from wavefunctions (44.89415s) started
T25 >> 1462702579.65164900 Calculate density matrix (30.83546s) started
T25 << 1462702589.58509707 Calculate density matrix (40.76891s) stopped
T25 >> 1462702589.58515501 Construct density (5.19929s) started
T25 << 1462702591.22041392 Construct density (6.83455s) stopped
T25 >> 1462702591.23365903 Symmetrize density (0.00025s) started
T25 << 1462702591.23372412 Symmetrize density (0.00031s) stopped
T25 << 1462702594.27158189 Density initialize from wavefunctions (59.51752s) stopped
T25 >> 1462702594.27215409 Hamiltonian (240.41463s) started
T25 >> 1462702594.27217388 vbar (0.09581s) started
T25 << 1462702594.29954410 vbar (0.12318s) stopped
T25 >> 1462702594.29969096 XC 3D grid (116.22779s) started
T25 >> 1462702594.80586910 van der Waals (112.16543s) started
T25 >> 1462702594.93888688 semilocal (24.98097s) started
T25 << 1462702601.18873191 semilocal (31.23081s) stopped
T25 >> 1462702601.24962592 redistribute (11.06895s) started
T25 << 1462702602.14155006 redistribute (11.96088s) stopped
T25 >> 1462702602.14160991 libvdwxc nonlocal (75.32103s) started
T25 << 1462702621.30791593 libvdwxc nonlocal (94.48734s) stopped
T25 >> 1462702621.30798602 redistribute (11.96091s) started
T25 << 1462702623.32733798 redistribute (13.98026s) stopped
T25 << 1462702623.32869911 van der Waals (140.68826s) stopped
T25 << 1462702623.83242297 XC 3D grid (145.76052s) stopped
T25 >> 1462702623.83246994 Poisson (78.15184s) started
T25 << 1462702638.78932095 Poisson (93.10870s) stopped
T25 >> 1462702638.78943300 Hartree integrate/restrict (1.59990s) started
T25 << 1462702638.82603598 Hartree integrate/restrict (1.63651s) stopped
T25 >> 1462702638.82622194 Hartree integrate/restrict (1.63663s) started
T25 << 1462702639.19282889 Hartree integrate/restrict (2.00324s) stopped
T25 >> 1462702639.24950910 Atomic (38.32410s) started
T25 >> 1462702639.26213789 XC Correction (23.44051s) started
T25 << 1462702646.34373593 XC Correction (30.52211s) stopped
T25 << 1462702649.25831199 Atomic (48.33291s) stopped
T25 >> 1462702649.25861406 Communicate (5.71805s) started
T25 << 1462702651.24348688 Communicate (7.70292s) stopped
T25 << 1462702651.24351096 Hamiltonian (297.38599s) stopped
T25 << 1462702651.24356794 LCAO WFS Initialize (357.92252s) stopped
T25 << 1462702651.25551009 Initialization (567.67969s) stopped
T25 >> 1462702651.28227305 SCF-cycle (5616.18066s) started
T25 >> 1462702651.28231812 LCAO eigensolver (3004.65627s) started
T25 >> 1462702651.28233004 Potential matrix (104.79839s) started
T25 << 1462702653.66171503 Potential matrix (107.17777s) stopped
T25 >> 1462702653.66178393 DistributedAtomicCorrection (44.47490s) started
T25 << 1462702654.63276505 DistributedAtomicCorrection (45.44588s) stopped
T25 >> 1462702654.63285804 Distribute overlap matrix (222.07111s) started
T25 >> 1462702654.63288307 blocked summation (216.93140s) started
T25 << 1462702659.87918305 blocked summation (222.17770s) stopped
T25 >> 1462702659.88822293 Scalapack redistribute (4.73955s) started
T25 << 1462702660.00226808 Scalapack redistribute (4.85359s) stopped
T25 << 1462702660.00234008 Distribute overlap matrix (227.44059s) stopped
T25 >> 1462702660.00940895 Blacs Orbital Layouts (2424.92649s) started
T25 >> 1462702660.01779890 General diagonalize (2413.95165s) started
T25 << 1462702720.33135295 General diagonalize (2474.26520s) stopped
T25 >> 1462702720.33142900 Redistribute coefs (0.80982s) started
T25 << 1462702720.34780192 Redistribute coefs (0.82620s) stopped
T25 >> 1462702720.34784889 Send coefs to domains (9.78292s) started
T25 << 1462702721.02685809 Send coefs to domains (10.46193s) stopped
T25 << 1462702721.02740598 Blacs Orbital Layouts (2485.94449s) stopped
T25 >> 1462702721.02743411 Calculate projections (208.13559s) started
T25 << 1462702725.98644805 Calculate projections (213.09460s) stopped
T25 << 1462702725.98680806 LCAO eigensolver (3079.36076s) stopped
T25 >> 1462702727.11821508 Density (622.08845s) started
T25 >> 1462702727.11823010 Pseudo density (500.84922s) started
T25 >> 1462702727.12024689 Calculate density matrix (433.08010s) started
T25 << 1462702739.53511500 Calculate density matrix (445.49497s) stopped
T25 >> 1462702739.53517103 Construct density (67.05231s) started
T25 << 1462702741.17129493 Construct density (68.68844s) stopped
T25 >> 1462702741.18526411 Symmetrize density (0.00295s) started
T25 << 1462702741.18532610 Symmetrize density (0.00301s) stopped
T25 << 1462702741.18768907 Pseudo density (514.91868s) stopped
T25 >> 1462702741.18774295 Atomic density matrices (100.51882s) started
T25 << 1462702743.83887291 Atomic density matrices (103.16995s) stopped
T25 >> 1462702743.83891201 Multipole moments (0.31008s) started
T25 << 1462702743.84920502 Multipole moments (0.32037s) stopped
T25 >> 1462702743.84925294 Normalize (0.33927s) started
T25 << 1462702743.85819292 Normalize (0.34821s) stopped
T25 >> 1462702743.85827208 Mix (20.06772s) started
T25 << 1462702744.31902099 Mix (20.52847s) stopped
T25 << 1462702744.31911302 Density (639.28934s) stopped
T25 >> 1462702744.31924510 Hamiltonian (1920.49982s) started
T25 >> 1462702744.31926489 vbar (1.09294s) started
T25 << 1462702744.35127711 vbar (1.12495s) stopped
T25 >> 1462702744.35140109 XC 3D grid (1147.11834s) started
T25 >> 1462702744.85475993 van der Waals (1107.14891s) started
T25 >> 1462702744.98855090 semilocal (239.74488s) started
T25 << 1462702751.16197991 semilocal (245.91831s) stopped
T25 >> 1462702751.22808003 redistribute (111.75618s) started
T25 << 1462702752.24036098 redistribute (112.76846s) stopped
T25 >> 1462702752.24040508 libvdwxc nonlocal (747.70647s) started
T25 << 1462702771.92046404 libvdwxc nonlocal (767.38653s) stopped
T25 >> 1462702771.92053294 redistribute (112.76849s) started
T25 << 1462702773.52273893 redistribute (114.37070s) stopped
T25 << 1462702773.52439404 van der Waals (1135.81854s) stopped
T25 << 1462702774.07508206 XC 3D grid (1176.84202s) stopped
T25 >> 1462702774.07512498 Poisson (369.29507s) started
T25 << 1462702788.60240293 Poisson (383.82235s) stopped
T25 >> 1462702788.60246897 Hartree integrate/restrict (15.04539s) started
T25 << 1462702788.66576409 Hartree integrate/restrict (15.10869s) stopped
T25 >> 1462702788.66586494 Hartree integrate/restrict (15.10876s) started
T25 << 1462702788.98440909 Hartree integrate/restrict (15.42731s) stopped
T25 >> 1462702789.03990293 Atomic (332.27804s) started
T25 >> 1462702789.05222988 XC Correction (210.28672s) started
T25 << 1462702796.15590405 XC Correction (217.39039s) stopped
T25 << 1462702798.53527308 Atomic (341.77341s) stopped
T25 >> 1462702798.53548598 Communicate (53.71176s) started
T25 << 1462702800.25714898 Communicate (55.43342s) stopped
T25 << 1462702800.25717402 Hamiltonian (1976.43775s) stopped
T25 >> 1462702800.25725198 LCAO eigensolver (3079.36078s) started
T25 >> 1462702800.25726604 Potential matrix (107.17780s) started
T25 << 1462702802.63876104 Potential matrix (109.55930s) stopped
T25 >> 1462702802.63884306 DistributedAtomicCorrection (45.44592s) started
T25 << 1462702803.62775111 DistributedAtomicCorrection (46.43483s) stopped
T25 >> 1462702803.62783909 Distribute overlap matrix (227.44061s) started
T25 >> 1462702803.62786102 blocked summation (222.17773s) started
T25 << 1462702808.68496203 blocked summation (227.23483s) stopped
T25 >> 1462702808.69422603 Scalapack redistribute (4.85363s) started
T25 << 1462702808.79528189 Scalapack redistribute (4.95468s) stopped
T25 << 1462702808.79535699 Distribute overlap matrix (232.60812s) stopped
T25 >> 1462702808.80014110 Blacs Orbital Layouts (2485.94450s) started
T25 >> 1462702808.80812407 General diagonalize (2474.26527s) started
T25 << 1462702866.57012010 General diagonalize (2532.02726s) stopped
T25 >> 1462702866.57019210 Redistribute coefs (0.82623s) started
T25 << 1462702866.58586597 Redistribute coefs (0.84191s) stopped
T25 >> 1462702866.58590889 Send coefs to domains (10.46197s) started
T25 << 1462702866.66556096 Send coefs to domains (10.54162s) stopped
T25 << 1462702866.66605711 Blacs Orbital Layouts (2543.81042s) stopped
T25 >> 1462702866.66608596 Calculate projections (213.09465s) started
T25 << 1462702871.62976503 Calculate projections (218.05833s) stopped
T25 << 1462702871.63011694 LCAO eigensolver (3150.73365s) stopped
T25 >> 1462702872.74454999 Density (639.28936s) started
T25 >> 1462702872.74456501 Pseudo density (514.91872s) started
T25 >> 1462702872.74655294 Calculate density matrix (445.49501s) started
T25 << 1462702885.25580192 Calculate density matrix (458.00426s) stopped
T25 >> 1462702885.25586104 Construct density (68.68848s) started
T25 << 1462702886.89778495 Construct density (70.33041s) stopped
T25 >> 1462702886.91191196 Symmetrize density (0.00303s) started
T25 << 1462702886.91197491 Symmetrize density (0.00309s) stopped
T25 << 1462702886.91435099 Pseudo density (529.08851s) stopped
T25 >> 1462702886.91440797 Atomic density matrices (103.16998s) started
T25 << 1462702889.56173992 Atomic density matrices (105.81731s) stopped
T25 >> 1462702889.56177902 Multipole moments (0.32039s) started
T25 << 1462702889.57147408 Multipole moments (0.33009s) stopped
T25 >> 1462702889.57152009 Normalize (0.34827s) started
T25 << 1462702889.57852697 Normalize (0.35528s) stopped
T25 >> 1462702889.57856607 Mix (20.52856s) started
T25 << 1462702890.02094293 Mix (20.97094s) stopped
T25 << 1462702890.02102494 Density (656.56584s) stopped
T25 >> 1462702890.02114105 Hamiltonian (1976.43776s) started
T25 >> 1462702890.02116203 vbar (1.12503s) started
T25 << 1462702890.04993010 vbar (1.15380s) stopped
T25 >> 1462702890.05004406 XC 3D grid (1176.84206s) started
T25 >> 1462702890.54906893 van der Waals (1135.81860s) started
T25 >> 1462702890.68122602 semilocal (245.91842s) started
T25 << 1462702896.88553691 semilocal (252.12273s) stopped
T25 >> 1462702896.95016289 redistribute (114.37074s) started
T25 << 1462702897.94916511 redistribute (115.36974s) stopped
T25 >> 1462702897.94920802 libvdwxc nonlocal (767.38658s) started
T25 << 1462702917.29160905 libvdwxc nonlocal (786.72898s) stopped
T25 >> 1462702917.29167700 redistribute (115.36978s) started
T25 << 1462702919.07107306 redistribute (117.14917s) stopped
T25 << 1462702919.07248211 van der Waals (1164.34202s) stopped
T25 << 1462702919.57179594 XC 3D grid (1206.36381s) stopped
T25 >> 1462702919.57184100 Poisson (383.82240s) started
T25 << 1462702929.96913600 Poisson (394.21969s) stopped
T25 >> 1462702929.96920109 Hartree integrate/restrict (15.42734s) started
T25 << 1462702930.02387500 Hartree integrate/restrict (15.48201s) stopped
T25 >> 1462702930.02393103 Hartree integrate/restrict (15.48205s) started
T25 << 1462702930.34962511 Hartree integrate/restrict (15.80774s) stopped
T25 >> 1462702930.40509200 Atomic (341.77343s) started
T25 >> 1462702930.41737509 XC Correction (217.39042s) started
T25 << 1462702937.22970605 XC Correction (224.20275s) stopped
T25 << 1462702939.94930506 Atomic (351.31764s) stopped
T25 >> 1462702939.94950294 Communicate (55.43343s) started
T25 << 1462702941.49965811 Communicate (56.98359s) stopped
T25 << 1462702941.49968410 Hamiltonian (2027.91631s) stopped
T25 >> 1462702941.49976707 LCAO eigensolver (3150.73367s) started
T25 >> 1462702941.49978089 Potential matrix (109.55935s) started
T25 << 1462702943.87213397 Potential matrix (111.93170s) stopped
T25 >> 1462702943.87221503 DistributedAtomicCorrection (46.43487s) started
T25 << 1462702944.85592008 DistributedAtomicCorrection (47.41857s) stopped
T25 >> 1462702944.85601497 Distribute overlap matrix (232.60813s) started
T25 >> 1462702944.85603690 blocked summation (227.23487s) started
T25 << 1462702949.93918300 blocked summation (232.31801s) stopped
T25 >> 1462702949.94846702 Scalapack redistribute (4.95474s) started
T25 << 1462702950.04604006 Scalapack redistribute (5.05231s) stopped
T25 << 1462702950.04613805 Distribute overlap matrix (237.79826s) stopped
T25 >> 1462702950.05138707 Blacs Orbital Layouts (2543.81044s) started
T25 >> 1462702950.05941105 General diagonalize (2532.02732s) started
T25 << 1462703006.26882291 General diagonalize (2588.23673s) stopped
T25 >> 1462703006.26888800 Redistribute coefs (0.84194s) started
T25 << 1462703006.28415394 Redistribute coefs (0.85721s) stopped
T25 >> 1462703006.28419805 Send coefs to domains (10.54166s) started
T25 << 1462703006.52662206 Send coefs to domains (10.78408s) stopped
T25 << 1462703006.52715206 Blacs Orbital Layouts (2600.28620s) stopped
T25 >> 1462703006.52717996 Calculate projections (218.05838s) started
T25 << 1462703011.49008298 Calculate projections (223.02128s) stopped
T25 << 1462703011.49042892 LCAO eigensolver (3220.72433s) stopped
T25 >> 1462703012.56840801 Density (656.56585s) started
T25 >> 1462703012.56842208 Pseudo density (529.08856s) started
T25 >> 1462703012.57025003 Calculate density matrix (458.00429s) started
T25 << 1462703025.03089499 Calculate density matrix (470.46494s) stopped
T25 >> 1462703025.03095293 Construct density (70.33045s) started
T25 << 1462703026.66757393 Construct density (71.96708s) stopped
T25 >> 1462703026.68187404 Symmetrize density (0.00311s) started
T25 << 1462703026.68194008 Symmetrize density (0.00318s) stopped
T25 << 1462703026.68429399 Pseudo density (543.20443s) stopped
T25 >> 1462703026.68434811 Atomic density matrices (105.81733s) started
T25 << 1462703029.35253406 Atomic density matrices (108.48552s) stopped
T25 >> 1462703029.35260201 Multipole moments (0.33010s) started
T25 << 1462703029.36155009 Multipole moments (0.33905s) stopped
T25 >> 1462703029.36159706 Normalize (0.35531s) started
T25 << 1462703029.37201190 Normalize (0.36573s) stopped
T25 >> 1462703029.37207389 Mix (20.97101s) started
T25 << 1462703029.84104395 Mix (21.43998s) stopped
T25 << 1462703029.84110808 Density (673.83855s) stopped
T25 >> 1462703029.84120011 Hamiltonian (2027.91632s) started
T25 >> 1462703029.84121609 vbar (1.15386s) started
T25 << 1462703029.86534405 vbar (1.17798s) stopped
T25 >> 1462703029.86544800 XC 3D grid (1206.36384s) started
T25 >> 1462703030.43021488 van der Waals (1164.34206s) started
T25 >> 1462703030.56233907 semilocal (252.12279s) started
T25 << 1462703036.80789495 semilocal (258.36835s) stopped
T25 >> 1462703036.88244700 redistribute (117.14922s) started
T25 << 1462703037.79778790 redistribute (118.06456s) stopped
T25 >> 1462703037.79783297 libvdwxc nonlocal (786.72903s) started
T25 << 1462703056.93575191 libvdwxc nonlocal (805.86695s) stopped
T25 >> 1462703056.93582010 redistribute (118.06459s) started
T25 << 1462703058.58413005 redistribute (119.71290s) stopped
T25 << 1462703058.58577299 van der Waals (1192.49762s) stopped
T25 << 1462703059.09308600 XC 3D grid (1235.59148s) stopped
T25 >> 1462703059.09312892 Poisson (394.21974s) started
T25 << 1462703067.92905593 Poisson (403.05567s) stopped
T25 >> 1462703067.92913508 Hartree integrate/restrict (15.80778s) started
T25 << 1462703067.98461390 Hartree integrate/restrict (15.86326s) stopped
T25 >> 1462703067.98466611 Hartree integrate/restrict (15.86329s) started
T25 << 1462703068.29880810 Hartree integrate/restrict (16.17743s) stopped
T25 >> 1462703068.35235810 Atomic (351.31766s) started
T25 >> 1462703068.36450195 XC Correction (224.20278s) started
T25 << 1462703075.05193591 XC Correction (230.89021s) stopped
T25 << 1462703077.88498092 Atomic (360.85029s) stopped
T25 >> 1462703077.88517904 Communicate (56.98361s) started
T25 << 1462703079.36683798 Communicate (58.46526s) stopped
T25 << 1462703079.36686206 Hamiltonian (2077.44198s) stopped
T25 >> 1462703079.36693811 LCAO eigensolver (3220.72435s) started
T25 >> 1462703079.36695194 Potential matrix (111.93174s) started
T25 << 1462703081.73679399 Potential matrix (114.30159s) stopped
T25 >> 1462703081.73686695 DistributedAtomicCorrection (47.41861s) started
T25 << 1462703082.70797610 DistributedAtomicCorrection (48.38971s) stopped
T25 >> 1462703082.70802093 Distribute overlap matrix (237.79827s) started
T25 >> 1462703082.70807004 blocked summation (232.31805s) started
T25 << 1462703087.91441607 blocked summation (237.52439s) stopped
T25 >> 1462703087.92486191 Scalapack redistribute (5.05238s) started
T25 << 1462703088.02804494 Scalapack redistribute (5.15556s) stopped
T25 << 1462703088.02813792 Distribute overlap matrix (243.11839s) stopped
T25 >> 1462703088.03381395 Blacs Orbital Layouts (2600.28622s) started
T25 >> 1462703088.04190707 General diagonalize (2588.23679s) started
T25 << 1462703142.76127291 General diagonalize (2642.95615s) stopped
T25 >> 1462703142.76131892 Redistribute coefs (0.85724s) started
T25 << 1462703142.77564192 Redistribute coefs (0.87156s) stopped
T25 >> 1462703142.77568889 Send coefs to domains (10.78412s) started
T25 << 1462703143.05380297 Send coefs to domains (11.06224s) stopped
T25 << 1462703143.05423689 Blacs Orbital Layouts (2655.30665s) stopped
T25 >> 1462703143.05426693 Calculate projections (223.02134s) started
T25 << 1462703148.06069207 Calculate projections (228.02776s) stopped
T25 << 1462703148.06106901 LCAO eigensolver (3289.41848s) stopped
T25 >> 1462703149.17330790 Density (673.83857s) started
T25 >> 1462703149.17332292 Pseudo density (543.20447s) started
T25 >> 1462703149.17453909 Calculate density matrix (470.46498s) started
T25 << 1462703161.67666507 Calculate density matrix (482.96711s) stopped
T25 >> 1462703161.67672205 Construct density (71.96713s) started
T25 << 1462703163.31174493 Construct density (73.60215s) stopped
T25 >> 1462703163.32492900 Symmetrize density (0.00320s) started
T25 << 1462703163.32500100 Symmetrize density (0.00327s) stopped
T25 << 1462703163.32708812 Pseudo density (557.35823s) stopped
T25 >> 1462703163.32715011 Atomic density matrices (108.48557s) started
T25 << 1462703165.98667407 Atomic density matrices (111.14510s) stopped
T25 >> 1462703165.98671389 Multipole moments (0.33907s) started
T25 << 1462703165.99562502 Multipole moments (0.34798s) stopped
T25 >> 1462703165.99567389 Normalize (0.36577s) started
T25 << 1462703166.00234199 Normalize (0.37244s) stopped
T25 >> 1462703166.00245690 Mix (21.44005s) started
T25 << 1462703166.50830889 Mix (21.94590s) stopped
T25 << 1462703166.50847292 Density (691.17373s) stopped
T25 >> 1462703166.50863194 Hamiltonian (2077.44199s) started
T25 >> 1462703166.50865507 vbar (1.17804s) started
T25 << 1462703166.53788090 vbar (1.20727s) stopped
T25 >> 1462703166.53797007 XC 3D grid (1235.59152s) started
T25 >> 1462703167.03771591 van der Waals (1192.49767s) started
T25 >> 1462703167.17108107 semilocal (258.36847s) started
T25 << 1462703173.29484892 semilocal (264.49224s) stopped
T25 >> 1462703173.37497902 redistribute (119.71296s) started
T25 << 1462703174.36441493 redistribute (120.70240s) stopped
T25 >> 1462703174.36445808 libvdwxc nonlocal (805.86701s) started
T25 << 1462703193.13677311 libvdwxc nonlocal (824.63932s) stopped
T25 >> 1462703193.13683510 redistribute (120.70243s) started
T25 << 1462703195.03649306 redistribute (122.60209s) stopped
T25 << 1462703195.03787708 van der Waals (1220.49783s) stopped
T25 << 1462703195.54044890 XC 3D grid (1264.59400s) stopped
T25 >> 1462703195.54048991 Poisson (403.05573s) started
T25 << 1462703204.20798111 Poisson (411.72322s) stopped
T25 >> 1462703204.20806408 Hartree integrate/restrict (16.17747s) started
T25 << 1462703204.24736905 Hartree integrate/restrict (16.21678s) stopped
T25 >> 1462703204.24751401 Hartree integrate/restrict (16.21688s) started
T25 << 1462703204.59023809 Hartree integrate/restrict (16.55961s) stopped
T25 >> 1462703204.64563990 Atomic (360.85031s) started
T25 >> 1462703204.65808892 XC Correction (230.89024s) started
T25 << 1462703211.29782391 XC Correction (237.52997s) stopped
T25 << 1462703214.15444493 Atomic (370.35911s) stopped
T25 >> 1462703214.15467095 Communicate (58.46528s) started
T25 << 1462703215.81848407 Communicate (60.12909s) stopped
T25 << 1462703215.81851006 Hamiltonian (2126.75187s) stopped
T25 >> 1462703215.81859589 LCAO eigensolver (3289.41850s) started
T25 >> 1462703215.81861210 Potential matrix (114.30163s) started
T25 << 1462703218.18630505 Potential matrix (116.66932s) stopped
T25 >> 1462703218.18638992 DistributedAtomicCorrection (48.38975s) started
T25 << 1462703219.15113306 DistributedAtomicCorrection (49.35449s) stopped
T25 >> 1462703219.15118194 Distribute overlap matrix (243.11840s) started
T25 >> 1462703219.15122604 blocked summation (237.52443s) started
T25 << 1462703224.38113308 blocked summation (242.75433s) stopped
T25 >> 1462703224.39125490 Scalapack redistribute (5.15563s) started
T25 << 1462703224.51259494 Scalapack redistribute (5.27697s) stopped
T25 << 1462703224.51265001 Distribute overlap matrix (248.47987s) stopped
T25 >> 1462703224.51844406 Blacs Orbital Layouts (2655.30666s) started
T25 >> 1462703224.52719092 General diagonalize (2642.95619s) started
T25 << 1462703281.29143000 General diagonalize (2699.72043s) stopped
T25 >> 1462703281.29147601 Redistribute coefs (0.87160s) started
T25 << 1462703281.30673790 Redistribute coefs (0.88686s) stopped
T25 >> 1462703281.30678105 Send coefs to domains (11.06228s) started
T25 << 1462703281.57581401 Send coefs to domains (11.33131s) stopped
T25 << 1462703281.57627511 Blacs Orbital Layouts (2712.36450s) stopped
T25 >> 1462703281.57630301 Calculate projections (228.02781s) started
T25 << 1462703286.59545898 Calculate projections (233.04697s) stopped
T25 << 1462703286.59576201 LCAO eigensolver (3360.19566s) stopped
T25 >> 1462703287.65801001 Density (691.17375s) started
T25 >> 1462703287.65802503 Pseudo density (557.35828s) started
T25 >> 1462703287.65943289 Calculate density matrix (482.96714s) started
T25 << 1462703300.12058592 Calculate density matrix (495.42830s) stopped
T25 >> 1462703300.12064099 Construct density (73.60221s) started
T25 << 1462703301.75697708 Construct density (75.23854s) stopped
T25 >> 1462703301.76912093 Symmetrize density (0.00328s) started
T25 << 1462703301.76919293 Symmetrize density (0.00336s) stopped
T25 << 1462703301.77129793 Pseudo density (571.47156s) stopped
T25 >> 1462703301.77135706 Atomic density matrices (111.14512s) started
T25 << 1462703304.42912507 Atomic density matrices (113.80289s) stopped
T25 >> 1462703304.42916489 Multipole moments (0.34800s) started
T25 << 1462703304.43792200 Multipole moments (0.35676s) stopped
T25 >> 1462703304.43797398 Normalize (0.37253s) started
T25 << 1462703304.44467402 Normalize (0.37923s) stopped
T25 >> 1462703304.44478297 Mix (21.94606s) started
T25 << 1462703304.97613001 Mix (22.47740s) stopped
T25 << 1462703304.97618508 Density (708.49193s) stopped
T25 >> 1462703304.97627497 Hamiltonian (2126.75188s) started
T25 >> 1462703304.97629189 vbar (1.20731s) started
T25 << 1462703305.01153493 vbar (1.24255s) stopped
T25 >> 1462703305.01164293 XC 3D grid (1264.59403s) started
T25 >> 1462703305.49950194 van der Waals (1220.49788s) started
T25 >> 1462703305.63429499 semilocal (264.49233s) started
T25 << 1462703311.80038595 semilocal (270.65842s) stopped
T25 >> 1462703311.88209391 redistribute (122.60213s) started
T25 << 1462703312.84705997 redistribute (123.56709s) stopped
T25 >> 1462703312.84710193 libvdwxc nonlocal (824.63937s) started
T25 << 1462703331.96358800 libvdwxc nonlocal (843.75585s) stopped
T25 >> 1462703331.96366000 redistribute (123.56712s) started
T25 << 1462703334.00498509 redistribute (125.60845s) stopped
T25 << 1462703334.00715494 van der Waals (1249.00553s) stopped
T25 << 1462703334.51346707 XC 3D grid (1294.09585s) stopped
T25 >> 1462703334.51352096 Poisson (411.72328s) started
T25 << 1462703341.75676107 Poisson (418.96652s) stopped
T25 >> 1462703341.75686598 Hartree integrate/restrict (16.55965s) started
T25 << 1462703341.79188299 Hartree integrate/restrict (16.59467s) stopped
T25 >> 1462703341.79200006 Hartree integrate/restrict (16.59474s) started
T25 << 1462703342.15570307 Hartree integrate/restrict (16.95845s) stopped
T25 >> 1462703342.20648503 Atomic (370.35913s) started
T25 >> 1462703342.21827507 XC Correction (237.53000s) started
T25 << 1462703348.74337411 XC Correction (244.05510s) stopped
T25 << 1462703351.42302203 Atomic (379.57567s) stopped
T25 >> 1462703351.42322803 Communicate (60.12911s) started
T25 << 1462703352.94075489 Communicate (61.64664s) stopped
T25 << 1462703352.94077992 Hamiltonian (2174.71639s) stopped
T25 >> 1462703352.94086289 LCAO eigensolver (3360.19568s) started
T25 >> 1462703352.94087696 Potential matrix (116.66936s) started
T25 << 1462703355.32387304 Potential matrix (119.05236s) stopped
T25 >> 1462703355.32396293 DistributedAtomicCorrection (49.35454s) started
T25 << 1462703356.30338097 DistributedAtomicCorrection (50.33395s) stopped
T25 >> 1462703356.30343103 Distribute overlap matrix (248.47988s) started
T25 >> 1462703356.30346990 blocked summation (242.75436s) started
T25 << 1462703361.43837190 blocked summation (247.88927s) stopped
T25 >> 1462703361.44724107 Scalapack redistribute (5.27701s) started
T25 << 1462703361.54165292 Scalapack redistribute (5.37142s) stopped
T25 << 1462703361.54177690 Distribute overlap matrix (253.71823s) stopped
T25 >> 1462703361.54649711 Blacs Orbital Layouts (2712.36451s) started
T25 >> 1462703361.55457091 General diagonalize (2699.72047s) started
T25 << 1462703416.96198392 General diagonalize (2755.12788s) stopped
T25 >> 1462703416.96206403 Redistribute coefs (0.88690s) started
T25 << 1462703416.97773409 Redistribute coefs (0.90257s) stopped
T25 >> 1462703416.97778010 Send coefs to domains (11.33134s) started
T25 << 1462703417.07068706 Send coefs to domains (11.42425s) stopped
T25 << 1462703417.07116008 Blacs Orbital Layouts (2767.88918s) stopped
T25 >> 1462703417.07118893 Calculate projections (233.04700s) started
T25 << 1462703422.07136989 Calculate projections (238.04718s) stopped
T25 << 1462703422.07163000 LCAO eigensolver (3429.32645s) stopped
T25 >> 1462703423.11445498 Density (708.49194s) started
T25 >> 1462703423.11446905 Pseudo density (571.47161s) started
T25 >> 1462703423.11575508 Calculate density matrix (495.42833s) started
T25 << 1462703435.67955804 Calculate density matrix (507.99214s) stopped
T25 >> 1462703435.67961311 Construct density (75.23860s) started
T25 << 1462703437.30915904 Construct density (76.86815s) stopped
T25 >> 1462703437.32098699 Symmetrize density (0.00338s) started
T25 << 1462703437.32105589 Symmetrize density (0.00345s) stopped
T25 << 1462703437.32312489 Pseudo density (585.68026s) stopped
T25 >> 1462703437.32318592 Atomic density matrices (113.80292s) started
T25 << 1462703440.01610899 Atomic density matrices (116.49584s) stopped
T25 >> 1462703440.01615000 Multipole moments (0.35677s) started
T25 << 1462703440.02511907 Multipole moments (0.36574s) stopped
T25 >> 1462703440.02516794 Normalize (0.37932s) started
T25 << 1462703440.03190207 Normalize (0.38606s) stopped
T25 >> 1462703440.03196406 Mix (22.47746s) started
T25 << 1462703440.59492612 Mix (23.04042s) stopped
T25 << 1462703440.59499097 Density (725.97248s) stopped
T25 >> 1462703440.59507704 Hamiltonian (2174.71640s) started
T25 >> 1462703440.59509397 vbar (1.24261s) started
T25 << 1462703440.62215900 vbar (1.26967s) stopped
T25 >> 1462703440.62229800 XC 3D grid (1294.09589s) started
T25 >> 1462703441.11836600 van der Waals (1249.00563s) started
T25 >> 1462703441.25133610 semilocal (270.65852s) started
T25 << 1462703447.17642593 semilocal (276.58361s) stopped
T25 >> 1462703447.27898002 redistribute (125.60855s) started
T25 << 1462703448.49462390 redistribute (126.82420s) stopped
T25 >> 1462703448.49466991 libvdwxc nonlocal (843.75591s) started
T25 << 1462703467.15514803 libvdwxc nonlocal (862.41639s) stopped
T25 >> 1462703467.15520501 redistribute (126.82423s) started
T25 << 1462703469.10279202 redistribute (128.77182s) stopped
T25 << 1462703469.10376096 van der Waals (1276.99102s) stopped
T25 << 1462703469.60651708 XC 3D grid (1323.08011s) stopped
T25 >> 1462703469.60655999 Poisson (418.96660s) started
T25 << 1462703474.00171494 Poisson (423.36175s) stopped
T25 >> 1462703474.00183296 Hartree integrate/restrict (16.95849s) started
T25 << 1462703474.04532599 Hartree integrate/restrict (17.00198s) stopped
T25 >> 1462703474.04540396 Hartree integrate/restrict (17.00203s) started
T25 << 1462703474.38466811 Hartree integrate/restrict (17.34129s) stopped
T25 >> 1462703474.44164610 Atomic (379.57569s) started
T25 >> 1462703474.45358396 XC Correction (244.05512s) started
T25 << 1462703480.96338606 XC Correction (250.56492s) stopped
T25 << 1462703483.64382696 Atomic (388.77787s) stopped
T25 >> 1462703483.64401197 Communicate (61.64665s) started
T25 << 1462703485.27963901 Communicate (63.28228s) stopped
T25 << 1462703485.27966309 Hamiltonian (2219.40099s) stopped
T25 >> 1462703485.27974606 LCAO eigensolver (3429.32647s) started
T25 >> 1462703485.27976108 Potential matrix (119.05241s) started
T25 << 1462703487.64441705 Potential matrix (121.41706s) stopped
T25 >> 1462703487.64450788 DistributedAtomicCorrection (50.33400s) started
T25 << 1462703488.59886408 DistributedAtomicCorrection (51.28835s) stopped
T25 >> 1462703488.59894896 Distribute overlap matrix (253.71824s) started
T25 >> 1462703488.59897399 blocked summation (247.88930s) started
T25 << 1462703493.85921097 blocked summation (253.14954s) stopped
T25 >> 1462703493.86912298 Scalapack redistribute (5.37151s) started
T25 << 1462703493.96037006 Scalapack redistribute (5.46276s) stopped
T25 << 1462703493.96044302 Distribute overlap matrix (259.07974s) stopped
T25 >> 1462703493.96574497 Blacs Orbital Layouts (2767.88920s) started
T25 >> 1462703493.97392297 General diagonalize (2755.12795s) started
T25 << 1462703550.36157203 General diagonalize (2811.51560s) stopped
T25 >> 1462703550.36161709 Redistribute coefs (0.90260s) started
T25 << 1462703550.37612295 Redistribute coefs (0.91710s) stopped
T25 >> 1462703550.37618494 Send coefs to domains (11.42429s) started
T25 << 1462703550.47628999 Send coefs to domains (11.52439s) stopped
T25 << 1462703550.47674298 Blacs Orbital Layouts (2824.40019s) stopped
T25 >> 1462703550.47677493 Calculate projections (238.04728s) started
T25 << 1462703555.46788692 Calculate projections (243.03839s) stopped
T25 << 1462703555.46820688 LCAO eigensolver (3499.51493s) stopped
T25 >> 1462703556.54012895 Density (725.97249s) started
T25 >> 1462703556.54014397 Pseudo density (585.68031s) started
T25 >> 1462703556.54137897 Calculate density matrix (507.99217s) started
T25 << 1462703569.04954195 Calculate density matrix (520.50034s) stopped
T25 >> 1462703569.04959798 Construct density (76.86820s) started
T25 << 1462703570.67992091 Construct density (78.49852s) stopped
T25 >> 1462703570.69325209 Symmetrize density (0.00346s) started
T25 << 1462703570.69332099 Symmetrize density (0.00353s) stopped
T25 << 1462703570.69541597 Pseudo density (599.83558s) stopped
T25 >> 1462703570.69547606 Atomic density matrices (116.49587s) started
T25 << 1462703573.33772492 Atomic density matrices (119.13812s) stopped
T25 >> 1462703573.33776498 Multipole moments (0.36576s) started
T25 << 1462703573.34745598 Multipole moments (0.37545s) stopped
T25 >> 1462703573.34750390 Normalize (0.38610s) started
T25 << 1462703573.35423493 Normalize (0.39283s) stopped
T25 >> 1462703573.35431194 Mix (23.04048s) started
T25 << 1462703573.88242292 Mix (23.56859s) stopped
T25 << 1462703573.88250995 Density (743.31487s) stopped
T25 >> 1462703573.88261294 Hamiltonian (2219.40100s) started
T25 >> 1462703573.88263011 vbar (1.26975s) started
T25 << 1462703573.91547489 vbar (1.30260s) stopped
T25 >> 1462703573.91561007 XC 3D grid (1323.08014s) started
T25 >> 1462703574.41371894 van der Waals (1276.99106s) started
T25 >> 1462703574.54472494 semilocal (276.58378s) started
T25 << 1462703580.76355195 semilocal (282.80261s) stopped
T25 >> 1462703580.82807112 redistribute (128.77186s) started
T25 << 1462703581.75364804 redistribute (129.69744s) stopped
T25 >> 1462703581.75369191 libvdwxc nonlocal (862.41643s) started
T25 << 1462703600.57256389 libvdwxc nonlocal (881.23530s) stopped
T25 >> 1462703600.57263303 redistribute (129.69747s) started
T25 << 1462703602.32129598 redistribute (131.44613s) stopped
T25 << 1462703602.32276607 van der Waals (1304.90010s) stopped
T25 << 1462703602.82648492 XC 3D grid (1351.99102s) stopped
T25 >> 1462703602.82653809 Poisson (423.36185s) started
T25 << 1462703607.21148705 Poisson (427.74680s) stopped
T25 >> 1462703607.21155000 Hartree integrate/restrict (17.34133s) started
T25 << 1462703607.25364995 Hartree integrate/restrict (17.38343s) stopped
T25 >> 1462703607.25372410 Hartree integrate/restrict (17.38348s) started
T25 << 1462703607.58647990 Hartree integrate/restrict (17.71623s) stopped
T25 >> 1462703607.64376211 Atomic (388.77789s) started
T25 >> 1462703607.65534592 XC Correction (250.56494s) started
T25 << 1462703614.11938906 XC Correction (257.02899s) stopped
T25 << 1462703616.75874209 Atomic (397.89287s) stopped
T25 >> 1462703616.75894594 Communicate (63.28230s) started
T25 << 1462703618.73247695 Communicate (65.25583s) stopped
T25 << 1462703618.73250198 Hamiltonian (2264.25089s) stopped
T25 >> 1462703618.73258591 LCAO eigensolver (3499.51495s) started
T25 >> 1462703618.73259997 Potential matrix (121.41711s) started
T25 << 1462703621.12289906 Potential matrix (123.80741s) stopped
T25 >> 1462703621.12298203 DistributedAtomicCorrection (51.28839s) started
T25 << 1462703622.10667706 DistributedAtomicCorrection (52.27209s) stopped
T25 >> 1462703622.10671997 Distribute overlap matrix (259.07975s) started
T25 >> 1462703622.10676599 blocked summation (253.14957s) started
T25 << 1462703627.30537009 blocked summation (258.34817s) stopped
T25 >> 1462703627.31480193 Scalapack redistribute (5.46279s) started
T25 << 1462703627.40287209 Scalapack redistribute (5.55086s) stopped
T25 << 1462703627.40292406 Distribute overlap matrix (264.37596s) stopped
T25 >> 1462703627.40792203 Blacs Orbital Layouts (2824.40021s) started
T25 >> 1462703627.41616893 General diagonalize (2811.51563s) started
T25 << 1462703684.01079202 General diagonalize (2868.11026s) stopped
T25 >> 1462703684.01086307 Redistribute coefs (0.91716s) started
T25 << 1462703684.02704501 Redistribute coefs (0.93334s) stopped
T25 >> 1462703684.02708912 Send coefs to domains (11.52443s) started
T25 << 1462703684.11199498 Send coefs to domains (11.60933s) stopped
T25 << 1462703684.11256289 Blacs Orbital Layouts (2881.10485s) stopped
T25 >> 1462703684.11259103 Calculate projections (243.03844s) started
T25 << 1462703689.10760093 Calculate projections (248.03345s) stopped
T25 << 1462703689.10799503 LCAO eigensolver (3569.89036s) stopped
T25 >> 1462703690.14583802 Density (743.31489s) started
T25 >> 1462703690.14585209 Pseudo density (599.83563s) started
T25 >> 1462703690.14719510 Calculate density matrix (520.50037s) started
T25 << 1462703702.67207599 Calculate density matrix (533.02525s) stopped
T25 >> 1462703702.67212892 Construct density (78.49858s) started
T25 << 1462703704.29832292 Construct density (80.12477s) stopped
T25 >> 1462703704.31008410 Symmetrize density (0.00355s) started
T25 << 1462703704.31014800 Symmetrize density (0.00361s) stopped
T25 << 1462703704.31220388 Pseudo density (614.00199s) stopped
T25 >> 1462703704.31226492 Atomic density matrices (119.13814s) started
T25 << 1462703706.99637794 Atomic density matrices (121.82225s) stopped
T25 >> 1462703706.99641800 Multipole moments (0.37547s) started
T25 << 1462703707.00558305 Multipole moments (0.38463s) stopped
T25 >> 1462703707.00563192 Normalize (0.39289s) started
T25 << 1462703707.01248002 Normalize (0.39974s) stopped
T25 >> 1462703707.01252794 Mix (23.56868s) started
T25 << 1462703707.53413796 Mix (24.09029s) stopped
T25 << 1462703707.53424311 Density (760.70329s) stopped
T25 >> 1462703707.53435898 Hamiltonian (2264.25090s) started
T25 >> 1462703707.53437805 vbar (1.30268s) started
T25 << 1462703707.56440401 vbar (1.33270s) stopped
T25 >> 1462703707.56449890 XC 3D grid (1351.99106s) started
T25 >> 1462703708.06681895 van der Waals (1304.90014s) started
T25 >> 1462703708.19940090 semilocal (282.80268s) started
T25 << 1462703714.27751493 semilocal (288.88080s) stopped
T25 >> 1462703714.35218310 redistribute (131.44617s) started
T25 << 1462703715.40798306 redistribute (132.50197s) stopped
T25 >> 1462703715.40803003 libvdwxc nonlocal (881.23535s) started
T25 << 1462703734.14339089 libvdwxc nonlocal (899.97071s) stopped
T25 >> 1462703734.14346290 redistribute (132.50201s) started
T25 << 1462703736.10026097 redistribute (134.45881s) stopped
T25 << 1462703736.10232997 van der Waals (1332.93565s) stopped
T25 << 1462703736.60166097 XC 3D grid (1381.02822s) stopped
T25 >> 1462703736.60171604 Poisson (427.74684s) started
T25 << 1462703740.96564603 Poisson (432.11077s) stopped
T25 >> 1462703740.96576595 Hartree integrate/restrict (17.71627s) started
T25 << 1462703741.00807595 Hartree integrate/restrict (17.75858s) stopped
T25 >> 1462703741.00819206 Hartree integrate/restrict (17.75865s) started
T25 << 1462703741.34993792 Hartree integrate/restrict (18.10040s) stopped
T25 >> 1462703741.40581608 Atomic (397.89289s) started
T25 >> 1462703741.41746092 XC Correction (257.02901s) started
T25 << 1462703747.88266110 XC Correction (263.49421s) stopped
T25 << 1462703750.48860502 Atomic (406.97568s) stopped
T25 >> 1462703750.48879194 Communicate (65.25584s) started
T25 << 1462703752.33197403 Communicate (67.09902s) stopped
T25 << 1462703752.33199906 Hamiltonian (2309.04854s) stopped
T25 >> 1462703752.33207989 LCAO eigensolver (3569.89038s) started
T25 >> 1462703752.33209491 Potential matrix (123.80746s) started
T25 << 1462703754.70981312 Potential matrix (126.18518s) stopped
T25 >> 1462703754.70988297 DistributedAtomicCorrection (52.27212s) started
T25 << 1462703755.65866899 DistributedAtomicCorrection (53.22091s) stopped
T25 >> 1462703755.65875101 Distribute overlap matrix (264.37597s) started
T25 >> 1462703755.65877509 blocked summation (258.34821s) started
T25 << 1462703760.87189794 blocked summation (263.56133s) stopped
T25 >> 1462703760.88179493 Scalapack redistribute (5.55090s) started
T25 << 1462703761.00640702 Scalapack redistribute (5.67551s) stopped
T25 << 1462703761.00650001 Distribute overlap matrix (269.72372s) stopped
T25 >> 1462703761.01179194 Blacs Orbital Layouts (2881.10487s) started
T25 >> 1462703761.02035999 General diagonalize (2868.11031s) started
T25 << 1462703816.45157290 General diagonalize (2923.54153s) stopped
T25 >> 1462703816.45161700 Redistribute coefs (0.93337s) started
T25 << 1462703816.46621203 Redistribute coefs (0.94796s) stopped
T25 >> 1462703816.46627307 Send coefs to domains (11.60937s) started
T25 << 1462703816.69711089 Send coefs to domains (11.84021s) stopped
T25 << 1462703816.69755602 Blacs Orbital Layouts (2936.79064s) stopped
T25 >> 1462703816.69758606 Calculate projections (248.03351s) started
T25 << 1462703821.68607712 Calculate projections (253.02200s) stopped
T25 << 1462703821.68639898 LCAO eigensolver (3639.24470s) stopped
T25 << 1462703822.88693690 SCF-cycle (6787.78532s) stopped
T25 >> 1462703825.41160893 Force calculation (343.68261s) started
T25 >> 1462703825.41168690 LCAO forces (308.90092s) started
T25 >> 1462703825.41207290 Initial (0.00009s) started
T25 << 1462703825.41208506 Initial (0.00010s) stopped
T25 >> 1462703825.41744208 Get density matrix (142.60959s) started
T25 << 1462703834.70346403 Get density matrix (151.89561s) stopped
T25 >> 1462703834.70350409 Potential (52.09470s) started
T25 << 1462703846.99043798 Potential (64.38163s) stopped
T25 >> 1462703846.99049497 Get density matrix (151.89564s) started
T25 << 1462703874.16516805 Get density matrix (179.07031s) stopped
T25 >> 1462703874.16523290 Prepare TCI loop (9.79542s) started
T25 >> 1462703874.16579795 Get neighbors (8.64601s) started
T25 << 1462703876.42459798 Get neighbors (10.90481s) stopped
T25 >> 1462703876.42503095 broadcast dH (1.14555s) started
T25 << 1462703876.59088492 broadcast dH (1.31140s) stopped
T25 << 1462703876.59093595 Prepare TCI loop (12.22112s) stopped
T25 >> 1462703876.59095502 Not so complicated loop (40.61567s) started
T25 << 1462703887.00802302 Not so complicated loop (51.03274s) stopped
T25 >> 1462703887.12620997 Complicated loop (63.31974s) started
T25 << 1462703903.35211110 Complicated loop (79.54564s) stopped
T25 >> 1462703903.35521102 Wait for sum (0.00042s) started
T25 << 1462703903.35529804 Wait for sum (0.00051s) stopped
T25 << 1462703903.35531306 LCAO forces (386.84455s) stopped
T25 << 1462703912.62112594 Force calculation (430.89213s) stopped
T25 >> 1462703912.63837910 Initialization (567.67970s) started
T25 << 1462703912.63855100 Initialization (567.67987s) stopped
T25 >> 1462703912.63877606 Initialization (567.67989s) started
T25 << 1462703912.63891697 Initialization (567.68003s) stopped
T25 >> 1462703912.63906002 Initialization (567.68004s) started
T25 << 1462703912.63919711 Initialization (567.68018s) stopped
T25 >> 1462703935.96399307 Initialization (567.68020s) started
T25 >> 1462703936.32594395 Basic WFS set positions (0.54502s) started
T25 >> 1462703936.32597494 Redistribute (0.09657s) started
T25 << 1462703936.33197999 Redistribute (0.10257s) stopped
T25 << 1462703936.43452811 Basic WFS set positions (0.65361s) stopped
T25 >> 1462703936.43455791 Basis functions set positions (8.24891s) started
T25 << 1462703938.36360002 Basis functions set positions (10.17795s) stopped
T25 >> 1462703938.36482000 TCI: Calculate S, T, P (113.70717s) started
T25 << 1462703961.45487905 TCI: Calculate S, T, P (136.79723s) stopped
T25 >> 1462703961.45498705 blocked summation (67.90956s) started
T25 << 1462703977.41791606 blocked summation (83.87249s) stopped
T25 >> 1462703977.42733097 Scalapack redistribute (1.33106s) started
T25 << 1462703977.54821110 Scalapack redistribute (1.45194s) stopped
T25 >> 1462703977.54906988 blocked summation (83.87252s) started
T25 << 1462703978.70625401 blocked summation (85.02971s) stopped
T25 >> 1462703978.71502995 Scalapack redistribute (1.45201s) started
T25 << 1462703978.95598888 Scalapack redistribute (1.69297s) stopped
T25 >> 1462703978.95884609 Redistribute (0.31252s) started
T25 << 1462703978.96021390 Redistribute (0.31388s) stopped
T25 >> 1462703980.93388891 Redistribute (0.31391s) started
T25 << 1462703980.93507504 Redistribute (0.31510s) stopped
T25 >> 1462703980.96387792 LCAO WFS Initialize (357.92253s) started
T25 >> 1462703980.96390390 Density initialize from wavefunctions (59.51759s) started
T25 >> 1462703980.96694803 Calculate density matrix (40.76895s) started
T25 << 1462703990.94988394 Calculate density matrix (50.75188s) stopped
T25 >> 1462703990.94993901 Construct density (6.83461s) started
T25 << 1462703992.55311608 Construct density (8.43779s) stopped
T25 >> 1462703992.56864595 Symmetrize density (0.00033s) started
T25 << 1462703992.56871009 Symmetrize density (0.00039s) stopped
T25 << 1462703995.64611006 Density initialize from wavefunctions (74.19979s) stopped
T25 >> 1462703995.64686894 Hamiltonian (297.38601s) started
T25 >> 1462703995.64691901 vbar (0.12326s) started
T25 << 1462703995.67307591 vbar (0.14942s) stopped
T25 >> 1462703995.67319393 XC 3D grid (145.76056s) started
T25 >> 1462703996.17394090 van der Waals (140.68830s) started
T25 >> 1462703996.31090593 semilocal (31.23087s) started
T25 << 1462704002.60269904 semilocal (37.52266s) stopped
T25 >> 1462704002.66921210 redistribute (13.98030s) started
T25 << 1462704003.57775688 redistribute (14.88884s) stopped
T25 >> 1462704003.57784104 libvdwxc nonlocal (94.48739s) started
T25 << 1462704022.37660408 libvdwxc nonlocal (113.28615s) stopped
T25 >> 1462704022.37665200 redistribute (14.88889s) started
T25 << 1462704024.27821398 redistribute (16.79046s) stopped
T25 << 1462704024.28028202 van der Waals (168.79464s) stopped
T25 << 1462704024.76361895 XC 3D grid (174.85099s) stopped
T25 >> 1462704024.76367807 Poisson (93.10878s) started
T25 << 1462704037.56902409 Poisson (105.91413s) stopped
T25 >> 1462704037.56909394 Hartree integrate/restrict (2.00332s) started
T25 << 1462704037.61533403 Hartree integrate/restrict (2.04956s) stopped
T25 >> 1462704037.61538601 Hartree integrate/restrict (2.04959s) started
T25 << 1462704037.95105791 Hartree integrate/restrict (2.38526s) stopped
T25 >> 1462704038.00523090 Atomic (48.33293s) started
T25 >> 1462704038.01901102 XC Correction (30.52213s) started
T25 << 1462704046.02392197 XC Correction (38.52704s) stopped
T25 << 1462704048.04263592 Atomic (58.37033s) stopped
T25 >> 1462704048.04293704 Communicate (7.70293s) started
T25 << 1462704049.59221697 Communicate (9.25221s) stopped
T25 << 1462704049.59224200 Hamiltonian (351.33138s) stopped
T25 << 1462704049.59230089 LCAO WFS Initialize (426.55095s) stopped
T25 << 1462704049.60427189 Initialization (681.32048s) stopped
T25 >> 1462704049.63146901 SCF-cycle (6787.78534s) started
T25 >> 1462704049.63151503 LCAO eigensolver (3639.24471s) started
T25 >> 1462704049.63152790 Potential matrix (126.18521s) started
T25 << 1462704051.98876691 Potential matrix (128.54245s) stopped
T25 >> 1462704051.98886609 DistributedAtomicCorrection (53.22095s) started
T25 << 1462704052.93555307 DistributedAtomicCorrection (54.16763s) stopped
T25 >> 1462704052.93564391 Distribute overlap matrix (269.72373s) started
T25 >> 1462704052.93566990 blocked summation (263.56136s) started
T25 << 1462704058.45023799 blocked summation (269.07593s) stopped
T25 >> 1462704058.46017694 Scalapack redistribute (5.67558s) started
T25 << 1462704058.57589006 Scalapack redistribute (5.79129s) stopped
T25 << 1462704058.57598400 Distribute overlap matrix (275.36407s) stopped
T25 >> 1462704058.58330894 Blacs Orbital Layouts (2936.79065s) started
T25 >> 1462704058.59162593 General diagonalize (2923.54156s) started
T25 << 1462704116.99436498 General diagonalize (2981.94430s) stopped
T25 >> 1462704116.99441290 Redistribute coefs (0.94801s) started
T25 << 1462704117.01134491 Redistribute coefs (0.96495s) stopped
T25 >> 1462704117.01138711 Send coefs to domains (11.84025s) started
T25 << 1462704117.45825100 Send coefs to domains (12.28711s) stopped
T25 << 1462704117.45885205 Blacs Orbital Layouts (2995.66620s) stopped
T25 >> 1462704117.45888710 Calculate projections (253.02206s) started
T25 << 1462704122.23881888 Calculate projections (257.80199s) stopped
T25 << 1462704122.23919797 LCAO eigensolver (3711.85240s) stopped
T25 >> 1462704123.48620105 Density (760.70331s) started
T25 >> 1462704123.48621511 Pseudo density (614.00203s) started
T25 >> 1462704123.48774791 Calculate density matrix (533.02529s) started
T25 << 1462704136.25343609 Calculate density matrix (545.79098s) stopped
T25 >> 1462704136.25349307 Construct density (80.12481s) started
T25 << 1462704137.87330103 Construct density (81.74462s) stopped
T25 >> 1462704137.88731098 Symmetrize density (0.00363s) started
T25 << 1462704137.88737297 Symmetrize density (0.00369s) stopped
T25 << 1462704137.88973403 Pseudo density (628.40555s) stopped
T25 >> 1462704137.88979006 Atomic density matrices (121.82228s) started
T25 << 1462704140.55628109 Atomic density matrices (124.48877s) stopped
T25 >> 1462704140.55631995 Multipole moments (0.38465s) started
T25 << 1462704140.56616092 Multipole moments (0.39449s) stopped
T25 >> 1462704140.56621003 Normalize (0.39977s) started
T25 << 1462704140.57602310 Normalize (0.40959s) stopped
T25 >> 1462704140.57610393 Mix (24.09039s) started
T25 << 1462704140.99946904 Mix (24.51375s) stopped
T25 << 1462704140.99951792 Density (778.21663s) stopped
T25 >> 1462704140.99961710 Hamiltonian (2309.04856s) started
T25 >> 1462704140.99963593 vbar (1.33275s) started
T25 << 1462704141.02318406 vbar (1.35630s) stopped
T25 >> 1462704141.02330804 XC 3D grid (1381.02827s) started
T25 >> 1462704141.51297092 van der Waals (1332.93571s) started
T25 >> 1462704141.64319897 semilocal (288.88092s) started
T25 << 1462704147.81672192 semilocal (295.05444s) stopped
T25 >> 1462704147.88759899 redistribute (134.45887s) started
T25 << 1462704148.88405204 redistribute (135.45532s) stopped
T25 >> 1462704148.88413596 libvdwxc nonlocal (899.97077s) started
T25 << 1462704168.08609605 libvdwxc nonlocal (919.17273s) stopped
T25 >> 1462704168.08615708 redistribute (135.45537s) started
T25 << 1462704169.76931906 redistribute (137.13853s) stopped
T25 << 1462704169.77161288 van der Waals (1361.19435s) stopped
T25 << 1462704170.25080609 XC 3D grid (1410.25577s) stopped
T25 >> 1462704170.25084996 Poisson (432.11087s) started
T25 << 1462704181.72391701 Poisson (443.58394s) stopped
T25 >> 1462704181.72398496 Hartree integrate/restrict (18.10044s) started
T25 << 1462704181.77966499 Hartree integrate/restrict (18.15612s) stopped
T25 >> 1462704181.77972698 Hartree integrate/restrict (18.15616s) started
T25 << 1462704182.09954000 Hartree integrate/restrict (18.47597s) stopped
T25 >> 1462704182.15469098 Atomic (406.97570s) started
T25 >> 1462704182.16776395 XC Correction (263.49423s) started
T25 << 1462704189.75858402 XC Correction (271.08505s) stopped
T25 << 1462704191.36354899 Atomic (416.18456s) stopped
T25 >> 1462704191.36375690 Communicate (67.09904s) started
T25 << 1462704193.31500101 Communicate (69.05028s) stopped
T25 << 1462704193.31502795 Hamiltonian (2361.36397s) stopped
T25 >> 1462704193.31512594 LCAO eigensolver (3711.85241s) started
T25 >> 1462704193.31514096 Potential matrix (128.54251s) started
T25 << 1462704195.65799189 Potential matrix (130.88536s) stopped
T25 >> 1462704195.65808392 DistributedAtomicCorrection (54.16768s) started
T25 << 1462704196.58796692 DistributedAtomicCorrection (55.09756s) stopped
T25 >> 1462704196.58806205 Distribute overlap matrix (275.36408s) started
T25 >> 1462704196.58808994 blocked summation (269.07596s) started
T25 << 1462704201.91828704 blocked summation (274.40616s) stopped
T25 >> 1462704201.92845106 Scalapack redistribute (5.79133s) started
T25 << 1462704202.04339004 Scalapack redistribute (5.90627s) stopped
T25 << 1462704202.04361105 Distribute overlap matrix (280.81963s) stopped
T25 >> 1462704202.04856491 Blacs Orbital Layouts (2995.66622s) started
T25 >> 1462704202.05683708 General diagonalize (2981.94434s) started
T25 << 1462704256.71981692 General diagonalize (3036.60732s) stopped
T25 >> 1462704256.71986294 Redistribute coefs (0.96498s) started
T25 << 1462704256.73648310 Redistribute coefs (0.98160s) stopped
T25 >> 1462704256.73652697 Send coefs to domains (12.28715s) started
T25 << 1462704256.83889103 Send coefs to domains (12.38951s) stopped
T25 << 1462704256.83941102 Blacs Orbital Layouts (3050.45706s) stopped
T25 >> 1462704256.83944607 Calculate projections (257.80204s) started
T25 << 1462704261.61916089 Calculate projections (262.58176s) stopped
T25 << 1462704261.61949706 LCAO eigensolver (3780.15679s) stopped
T25 >> 1462704262.85184097 Density (778.21664s) started
T25 >> 1462704262.85185599 Pseudo density (628.40560s) started
T25 >> 1462704262.85340405 Calculate density matrix (545.79101s) started
T25 << 1462704275.64059901 Calculate density matrix (558.57821s) stopped
T25 >> 1462704275.64065504 Construct density (81.74467s) started
T25 << 1462704277.25510907 Construct density (83.35913s) stopped
T25 >> 1462704277.26908708 Symmetrize density (0.00371s) started
T25 << 1462704277.26914811 Symmetrize density (0.00377s) stopped
T25 << 1462704277.27150798 Pseudo density (642.82525s) stopped
T25 >> 1462704277.27156496 Atomic density matrices (124.48880s) started
T25 << 1462704279.94736004 Atomic density matrices (127.16459s) stopped
T25 >> 1462704279.94740009 Multipole moments (0.39451s) started
T25 << 1462704279.95695090 Multipole moments (0.40406s) stopped
T25 >> 1462704279.95699811 Normalize (0.40965s) started
T25 << 1462704279.96671891 Normalize (0.41937s) stopped
T25 >> 1462704279.96679902 Mix (24.51380s) started
T25 << 1462704280.40154791 Mix (24.94855s) stopped
T25 << 1462704280.40163493 Density (795.76644s) stopped
T25 >> 1462704280.40174294 Hamiltonian (2361.36398s) started
T25 >> 1462704280.40176296 vbar (1.35637s) started
T25 << 1462704280.42877889 vbar (1.38339s) stopped
T25 >> 1462704280.42885303 XC 3D grid (1410.25580s) started
T25 >> 1462704280.92481208 van der Waals (1361.19440s) started
T25 >> 1462704281.05567098 semilocal (295.05452s) started
T25 << 1462704287.22647905 semilocal (301.22533s) stopped
T25 >> 1462704287.29556799 redistribute (137.13864s) started
T25 << 1462704288.27935100 redistribute (138.12242s) stopped
T25 >> 1462704288.27939296 libvdwxc nonlocal (919.17277s) started
T25 << 1462704307.39804006 libvdwxc nonlocal (938.29142s) stopped
T25 >> 1462704307.39808512 redistribute (138.12245s) started
T25 << 1462704309.10355496 redistribute (139.82792s) stopped
T25 << 1462704309.10593891 van der Waals (1389.37553s) stopped
T25 << 1462704309.58926392 XC 3D grid (1439.41621s) stopped
T25 >> 1462704309.58930707 Poisson (443.58399s) started
T25 << 1462704318.20212603 Poisson (452.19681s) stopped
T25 >> 1462704318.20221901 Hartree integrate/restrict (18.47602s) started
T25 << 1462704318.25757098 Hartree integrate/restrict (18.53138s) stopped
T25 >> 1462704318.25762892 Hartree integrate/restrict (18.53141s) started
T25 << 1462704318.57420301 Hartree integrate/restrict (18.84799s) stopped
T25 >> 1462704318.63228512 Atomic (416.18458s) started
T25 >> 1462704318.64531898 XC Correction (271.08508s) started
T25 << 1462704326.27825189 XC Correction (278.71801s) stopped
T25 << 1462704327.81912589 Atomic (425.37142s) stopped
T25 >> 1462704327.81931496 Communicate (69.05030s) started
T25 << 1462704329.62466908 Communicate (70.85565s) stopped
T25 << 1462704329.62469292 Hamiltonian (2410.58693s) stopped
T25 >> 1462704329.62476707 LCAO eigensolver (3780.15680s) started
T25 >> 1462704329.62478089 Potential matrix (130.88541s) started
T25 << 1462704331.97580409 Potential matrix (133.23643s) stopped
T25 >> 1462704331.97589207 DistributedAtomicCorrection (55.09759s) started
T25 << 1462704332.90986395 DistributedAtomicCorrection (56.03157s) stopped
T25 >> 1462704332.90995789 Distribute overlap matrix (280.81964s) started
T25 >> 1462704332.90998101 blocked summation (274.40619s) started
T25 << 1462704338.18086290 blocked summation (279.67708s) stopped
T25 >> 1462704338.19066691 Scalapack redistribute (5.90632s) started
T25 << 1462704338.29305410 Scalapack redistribute (6.00871s) stopped
T25 << 1462704338.29310703 Distribute overlap matrix (286.20279s) stopped
T25 >> 1462704338.29861498 Blacs Orbital Layouts (3050.45708s) started
T25 >> 1462704338.30669498 General diagonalize (3036.60736s) started
T25 << 1462704393.90072703 General diagonalize (3092.20139s) stopped
T25 >> 1462704393.90077090 Redistribute coefs (0.98163s) started
T25 << 1462704393.91705990 Redistribute coefs (0.99792s) stopped
T25 >> 1462704393.91710305 Send coefs to domains (12.38955s) started
T25 << 1462704394.08527303 Send coefs to domains (12.55772s) stopped
T25 << 1462704394.08594704 Blacs Orbital Layouts (3106.24442s) stopped
T25 >> 1462704394.08597589 Calculate projections (262.58180s) started
T25 << 1462704398.90309191 Calculate projections (267.39892s) stopped
T25 << 1462704398.90347600 LCAO eigensolver (3849.43551s) stopped
T25 >> 1462704400.32862210 Density (795.76645s) started
T25 >> 1462704400.32863688 Pseudo density (642.82530s) started
T25 >> 1462704400.32990098 Calculate density matrix (558.57825s) started
T25 << 1462704412.88760996 Calculate density matrix (571.13595s) stopped
T25 >> 1462704412.88766503 Construct density (83.35918s) started
T25 << 1462704414.50024104 Construct density (84.97176s) stopped
T25 >> 1462704414.52673197 Symmetrize density (0.00379s) started
T25 << 1462704414.52679801 Symmetrize density (0.00385s) stopped
T25 << 1462704414.52888894 Pseudo density (657.02555s) stopped
T25 >> 1462704414.52894902 Atomic density matrices (127.16462s) started
T25 << 1462704417.18833995 Atomic density matrices (129.82401s) stopped
T25 >> 1462704417.18838191 Multipole moments (0.40408s) started
T25 << 1462704417.19838500 Multipole moments (0.41408s) stopped
T25 >> 1462704417.19843292 Normalize (0.41943s) started
T25 << 1462704417.20590591 Normalize (0.42690s) stopped
T25 >> 1462704417.20595002 Mix (24.94863s) started
T25 << 1462704417.65914989 Mix (25.40183s) stopped
T25 << 1462704417.65927005 Density (813.09710s) stopped
T25 >> 1462704417.65939498 Hamiltonian (2410.58695s) started
T25 >> 1462704417.65941405 vbar (1.38342s) started
T25 << 1462704417.68811989 vbar (1.41213s) stopped
T25 >> 1462704417.68825603 XC 3D grid (1439.41625s) started
T25 >> 1462704418.21190095 van der Waals (1389.37563s) started
T25 >> 1462704418.34144402 semilocal (301.22542s) started
T25 << 1462704424.44506311 semilocal (307.32904s) stopped
T25 >> 1462704424.51744199 redistribute (139.82804s) started
T25 << 1462704425.63783503 redistribute (140.94844s) stopped
T25 >> 1462704425.63787699 libvdwxc nonlocal (938.29146s) started
T25 << 1462704444.35932899 libvdwxc nonlocal (957.01291s) stopped
T25 >> 1462704444.35940194 redistribute (140.94847s) started
T25 << 1462704446.31759906 redistribute (142.90667s) stopped
T25 << 1462704446.31966901 van der Waals (1417.48340s) stopped
T25 << 1462704446.81031299 XC 3D grid (1468.53830s) stopped
T25 >> 1462704446.81035590 Poisson (452.19688s) started
T25 << 1462704452.56122088 Poisson (457.94774s) stopped
T25 >> 1462704452.56133604 Hartree integrate/restrict (18.84803s) started
T25 << 1462704452.60422301 Hartree integrate/restrict (18.89092s) stopped
T25 >> 1462704452.60433292 Hartree integrate/restrict (18.89099s) started
T25 << 1462704452.94709301 Hartree integrate/restrict (19.23375s) stopped
T25 >> 1462704453.00123405 Atomic (425.37144s) started
T25 >> 1462704453.01445794 XC Correction (278.71803s) started
T25 << 1462704460.24000812 XC Correction (285.94358s) stopped
T25 << 1462704462.24752808 Atomic (434.61773s) stopped
T25 >> 1462704462.24771905 Communicate (70.85567s) started
T25 << 1462704463.89890194 Communicate (72.50685s) stopped
T25 << 1462704463.89892697 Hamiltonian (2456.82648s) stopped
T25 >> 1462704463.89900303 LCAO eigensolver (3849.43553s) started
T25 >> 1462704463.89901900 Potential matrix (133.23648s) started
T25 << 1462704466.24387908 Potential matrix (135.58134s) stopped
T25 >> 1462704466.24397707 DistributedAtomicCorrection (56.03160s) started
T25 << 1462704467.15932894 DistributedAtomicCorrection (56.94695s) stopped
T25 >> 1462704467.15942192 Distribute overlap matrix (286.20281s) started
T25 >> 1462704467.15944695 blocked summation (279.67711s) started
T25 << 1462704472.41916108 blocked summation (284.93682s) stopped
T25 >> 1462704472.42875195 Scalapack redistribute (6.00875s) started
T25 << 1462704472.52730608 Scalapack redistribute (6.10730s) stopped
T25 << 1462704472.52738094 Distribute overlap matrix (291.57077s) stopped
T25 >> 1462704472.53301406 Blacs Orbital Layouts (3106.24444s) started
T25 >> 1462704472.54153895 General diagonalize (3092.20142s) started
T25 << 1462704528.59439707 General diagonalize (3148.25428s) stopped
T25 >> 1462704528.59444904 Redistribute coefs (0.99796s) started
T25 << 1462704528.61072111 Redistribute coefs (1.01423s) stopped
T25 >> 1462704528.61076498 Send coefs to domains (12.55776s) started
T25 << 1462704528.80646110 Send coefs to domains (12.75346s) stopped
T25 << 1462704528.80696988 Blacs Orbital Layouts (3162.51839s) stopped
T25 >> 1462704528.80699801 Calculate projections (267.39897s) started
T25 << 1462704533.57978511 Calculate projections (272.17176s) stopped
T25 << 1462704533.58024192 LCAO eigensolver (3919.11677s) stopped
T25 >> 1462704534.99919510 Density (813.09712s) started
T25 >> 1462704534.99920988 Pseudo density (657.02560s) started
T25 >> 1462704535.00071096 Calculate density matrix (571.13599s) started
T25 << 1462704547.64088798 Calculate density matrix (583.77617s) stopped
T25 >> 1462704547.64094901 Construct density (84.97181s) started
T25 << 1462704549.25942397 Construct density (86.59029s) stopped
T25 >> 1462704549.27332592 Symmetrize density (0.00387s) started
T25 << 1462704549.27338696 Symmetrize density (0.00393s) stopped
T25 << 1462704549.27574611 Pseudo density (671.30213s) stopped
T25 >> 1462704549.27580094 Atomic density matrices (129.82403s) started
T25 << 1462704551.92867804 Atomic density matrices (132.47691s) stopped
T25 >> 1462704551.92871904 Multipole moments (0.41410s) started
T25 << 1462704551.93751502 Multipole moments (0.42290s) stopped
T25 >> 1462704551.93756390 Normalize (0.42693s) started
T25 << 1462704551.94863200 Normalize (0.43800s) stopped
T25 >> 1462704551.94869399 Mix (25.40195s) started
T25 << 1462704552.47806907 Mix (25.93132s) stopped
T25 << 1462704552.47811198 Density (830.57604s) stopped
T25 >> 1462704552.47819805 Hamiltonian (2456.82649s) started
T25 >> 1462704552.47821403 vbar (1.41220s) started
T25 << 1462704552.50423908 vbar (1.43823s) stopped
T25 >> 1462704552.50435209 XC 3D grid (1468.53834s) started
T25 >> 1462704552.98021412 van der Waals (1417.48351s) started
T25 >> 1462704553.11343598 semilocal (307.32916s) started
T25 << 1462704559.41076994 semilocal (313.62649s) stopped
T25 >> 1462704559.48326612 redistribute (142.90679s) started
T25 << 1462704560.39140201 redistribute (143.81492s) stopped
T25 >> 1462704560.39144707 libvdwxc nonlocal (957.01296s) started
T25 << 1462704579.47629499 libvdwxc nonlocal (976.09781s) stopped
T25 >> 1462704579.47636294 redistribute (143.81496s) started
T25 << 1462704581.13365793 redistribute (145.47225s) stopped
T25 << 1462704581.13608789 van der Waals (1445.63938s) stopped
T25 << 1462704581.62450695 XC 3D grid (1497.65849s) stopped
T25 >> 1462704581.62454700 Poisson (457.94784s) started
T25 << 1462704587.43004298 Poisson (463.75333s) stopped
T25 >> 1462704587.43010998 Hartree integrate/restrict (19.23379s) started
T25 << 1462704587.48514509 Hartree integrate/restrict (19.28883s) stopped
T25 >> 1462704587.48520803 Hartree integrate/restrict (19.28887s) started
T25 << 1462704587.82154393 Hartree integrate/restrict (19.62520s) stopped
T25 >> 1462704587.87590504 Atomic (434.61775s) started
T25 >> 1462704587.88894105 XC Correction (285.94361s) started
T25 << 1462704595.06715894 XC Correction (293.12182s) stopped
T25 << 1462704596.75916195 Atomic (443.50101s) stopped
T25 >> 1462704596.75934410 Communicate (72.50687s) started
T25 << 1462704598.97110200 Communicate (74.71863s) stopped
T25 << 1462704598.97112799 Hamiltonian (2503.31942s) stopped
T25 >> 1462704598.97121000 LCAO eigensolver (3919.11679s) started
T25 >> 1462704598.97122407 Potential matrix (135.58140s) started
T25 << 1462704601.32407308 Potential matrix (137.93425s) stopped
T25 >> 1462704601.32415605 DistributedAtomicCorrection (56.94699s) started
T25 << 1462704602.26454091 DistributedAtomicCorrection (57.88738s) stopped
T25 >> 1462704602.26466203 Distribute overlap matrix (291.57078s) started
T25 >> 1462704602.26468611 blocked summation (284.93686s) started
T25 << 1462704607.56495595 blocked summation (290.23713s) stopped
T25 >> 1462704607.57409596 Scalapack redistribute (6.10733s) started
T25 << 1462704607.71469402 Scalapack redistribute (6.24793s) stopped
T25 << 1462704607.71477199 Distribute overlap matrix (297.02089s) stopped
T25 >> 1462704607.72001505 Blacs Orbital Layouts (3162.51841s) started
T25 >> 1462704607.72824192 General diagonalize (3148.25433s) started
T25 << 1462704664.55920792 General diagonalize (3205.08529s) stopped
T25 >> 1462704664.55925393 Redistribute coefs (1.01426s) started
T25 << 1462704664.57492590 Redistribute coefs (1.02993s) stopped
T25 >> 1462704664.57496810 Send coefs to domains (12.75350s) started
T25 << 1462704664.83202791 Send coefs to domains (13.01056s) stopped
T25 << 1462704664.83269596 Blacs Orbital Layouts (3219.63109s) stopped
T25 >> 1462704664.83272505 Calculate projections (272.17181s) started
T25 << 1462704669.65081811 Calculate projections (276.98990s) stopped
T25 << 1462704669.65101790 LCAO eigensolver (3989.79660s) stopped
T25 >> 1462704670.90900207 Density (830.57606s) started
T25 >> 1462704670.90901709 Pseudo density (671.30218s) started
T25 >> 1462704670.91036010 Calculate density matrix (583.77621s) started
T25 << 1462704683.57995701 Calculate density matrix (596.44581s) stopped
T25 >> 1462704683.58001709 Construct density (86.59034s) started
T25 << 1462704685.19345403 Construct density (88.20378s) stopped
T25 >> 1462704685.20570302 Symmetrize density (0.00395s) started
T25 << 1462704685.20577002 Symmetrize density (0.00402s) stopped
T25 << 1462704685.20785904 Pseudo density (685.60102s) stopped
T25 >> 1462704685.20791888 Atomic density matrices (132.47694s) started
T25 << 1462704687.85124302 Atomic density matrices (135.12026s) stopped
T25 >> 1462704687.85128403 Multipole moments (0.42291s) started
T25 << 1462704687.86111403 Multipole moments (0.43274s) stopped
T25 >> 1462704687.86116409 Normalize (0.43805s) started
T25 << 1462704687.86843991 Normalize (0.44533s) stopped
T25 >> 1462704687.86849904 Mix (25.93137s) started
T25 << 1462704688.43317389 Mix (26.49604s) stopped
T25 << 1462704688.43330503 Density (848.10036s) stopped
T25 >> 1462704688.43343306 Hamiltonian (2503.31943s) started
T25 >> 1462704688.43345404 vbar (1.43829s) started
T25 << 1462704688.45811892 vbar (1.46295s) stopped
T25 >> 1462704688.45821810 XC 3D grid (1497.65853s) started
T25 >> 1462704688.93827701 van der Waals (1445.63948s) started
T25 >> 1462704689.06478310 semilocal (313.62659s) started
T25 << 1462704695.00547194 semilocal (319.56727s) stopped
T25 >> 1462704695.11482191 redistribute (145.47237s) started
T25 << 1462704696.31405210 redistribute (146.67160s) stopped
T25 >> 1462704696.31409907 libvdwxc nonlocal (976.09786s) started
T25 << 1462704715.25657511 libvdwxc nonlocal (995.04034s) stopped
T25 >> 1462704715.25664711 redistribute (146.67163s) started
T25 << 1462704717.27218890 redistribute (148.68717s) stopped
T25 << 1462704717.27459097 van der Waals (1473.97580s) stopped
T25 << 1462704717.75594807 XC 3D grid (1526.95626s) stopped
T25 >> 1462704717.75599194 Poisson (463.75338s) started
T25 << 1462704723.56967807 Poisson (469.56707s) stopped
T25 >> 1462704723.56980610 Hartree integrate/restrict (19.62524s) started
T25 << 1462704723.60589504 Hartree integrate/restrict (19.66133s) stopped
T25 >> 1462704723.60608411 Hartree integrate/restrict (19.66146s) started
T25 << 1462704723.95375609 Hartree integrate/restrict (20.00914s) stopped
T25 >> 1462704724.00915194 Atomic (443.50103s) started
T25 >> 1462704724.02223301 XC Correction (293.12185s) started
T25 << 1462704731.15019989 XC Correction (300.24981s) stopped
T25 << 1462704732.55307198 Atomic (452.04495s) stopped
T25 >> 1462704732.55326796 Communicate (74.71864s) started
T25 << 1462704734.62670898 Communicate (76.79208s) stopped
T25 << 1462704734.62673402 Hamiltonian (2549.51274s) stopped
T25 >> 1462704734.62681508 LCAO eigensolver (3989.79662s) started
T25 >> 1462704734.62683010 Potential matrix (137.93429s) started
T25 << 1462704736.98904204 Potential matrix (140.29650s) stopped
T25 >> 1462704736.98913693 DistributedAtomicCorrection (57.88744s) started
T25 << 1462704737.90772009 DistributedAtomicCorrection (58.80602s) stopped
T25 >> 1462704737.90780997 Distribute overlap matrix (297.02090s) started
T25 >> 1462704737.90783405 blocked summation (290.23716s) started
T25 << 1462704743.18410301 blocked summation (295.51343s) stopped
T25 >> 1462704743.19398808 Scalapack redistribute (6.24797s) started
T25 << 1462704743.28300905 Scalapack redistribute (6.33699s) stopped
T25 << 1462704743.28309011 Distribute overlap matrix (302.39618s) stopped
T25 >> 1462704743.28751612 Blacs Orbital Layouts (3219.63111s) started
T25 >> 1462704743.29539704 General diagonalize (3205.08533s) started
T25 << 1462704799.59764791 General diagonalize (3261.38758s) stopped
T25 >> 1462704799.59769106 Redistribute coefs (1.02996s) started
T25 << 1462704799.61258698 Redistribute coefs (1.04486s) stopped
T25 >> 1462704799.61263108 Send coefs to domains (13.01060s) started
T25 << 1462704799.79907203 Send coefs to domains (13.19704s) stopped
T25 << 1462704799.79953289 Blacs Orbital Layouts (3276.14312s) stopped
T25 >> 1462704799.79956198 Calculate projections (276.98996s) started
T25 << 1462704804.61769605 Calculate projections (281.80809s) stopped
T25 << 1462704804.61799693 LCAO eigensolver (4059.78780s) stopped
T25 >> 1462704805.87984490 Density (848.10038s) started
T25 >> 1462704805.87985897 Pseudo density (685.60107s) started
T25 >> 1462704805.88125896 Calculate density matrix (596.44584s) started
T25 << 1462704818.57589006 Calculate density matrix (609.14048s) stopped
T25 >> 1462704818.57594490 Construct density (88.20384s) started
T25 << 1462704820.18605590 Construct density (89.81395s) stopped
T25 >> 1462704820.19844508 Symmetrize density (0.00404s) started
T25 << 1462704820.19851398 Symmetrize density (0.00411s) stopped
T25 << 1462704820.20060110 Pseudo density (699.92181s) stopped
T25 >> 1462704820.20066094 Atomic density matrices (135.12029s) started
T25 << 1462704822.87821507 Atomic density matrices (137.79784s) stopped
T25 >> 1462704822.87825704 Multipole moments (0.43276s) started
T25 << 1462704822.88696194 Multipole moments (0.44147s) stopped
T25 >> 1462704822.88701510 Normalize (0.44537s) started
T25 << 1462704822.89441800 Normalize (0.45277s) stopped
T25 >> 1462704822.89447188 Mix (26.49617s) started
T25 << 1462704823.40360808 Mix (27.00530s) stopped
T25 << 1462704823.40369606 Density (865.62423s) stopped
T25 >> 1462704823.40379596 Hamiltonian (2549.51275s) started
T25 >> 1462704823.40381789 vbar (1.46301s) started
T25 << 1462704823.43831110 vbar (1.49750s) stopped
T25 >> 1462704823.43848491 XC 3D grid (1526.95629s) started
T25 >> 1462704823.93777990 van der Waals (1473.97591s) started
T25 >> 1462704824.06856990 semilocal (319.56742s) started
T25 << 1462704830.16313791 semilocal (325.66198s) stopped
T25 >> 1462704830.23836303 redistribute (148.68730s) started
T25 << 1462704831.31756306 redistribute (149.76650s) stopped
T25 >> 1462704831.31760502 libvdwxc nonlocal (995.04039s) started
T25 << 1462704850.32373691 libvdwxc nonlocal (1014.04652s) stopped
T25 >> 1462704850.32381010 redistribute (149.76653s) started
T25 << 1462704852.30145597 redistribute (151.74417s) stopped
T25 << 1462704852.30406594 van der Waals (1502.34219s) stopped
T25 << 1462704852.78689504 XC 3D grid (1556.30470s) stopped
T25 >> 1462704852.78693795 Poisson (469.56717s) started
T25 << 1462704857.35302210 Poisson (474.13326s) stopped
T25 >> 1462704857.35312390 Hartree integrate/restrict (20.00919s) started
T25 << 1462704857.38812399 Hartree integrate/restrict (20.04419s) stopped
T25 >> 1462704857.38824391 Hartree integrate/restrict (20.04427s) started
T25 << 1462704857.75149798 Hartree integrate/restrict (20.40753s) stopped
T25 >> 1462704857.80678105 Atomic (452.04497s) started
T25 >> 1462704857.81951904 XC Correction (300.24984s) started
T25 << 1462704864.83626103 XC Correction (307.26658s) stopped
T25 << 1462704866.25760794 Atomic (460.49579s) stopped
T25 >> 1462704866.25782800 Communicate (76.79210s) started
T25 << 1462704868.50807309 Communicate (79.04235s) stopped
T25 << 1462704868.50809908 Hamiltonian (2594.61705s) stopped
T25 >> 1462704868.50818300 LCAO eigensolver (4059.78782s) started
T25 >> 1462704868.50819802 Potential matrix (140.29656s) started
T25 << 1462704870.86117792 Potential matrix (142.64954s) stopped
T25 >> 1462704870.86127901 DistributedAtomicCorrection (58.80607s) started
T25 << 1462704871.87577605 DistributedAtomicCorrection (59.82056s) stopped
T25 >> 1462704871.87587690 Distribute overlap matrix (302.39619s) started
T25 >> 1462704871.87590194 blocked summation (295.51346s) started
T25 << 1462704877.10260105 blocked summation (300.74016s) stopped
T25 >> 1462704877.11324596 Scalapack redistribute (6.33702s) started
T25 << 1462704877.20173812 Scalapack redistribute (6.42551s) stopped
T25 << 1462704877.20181608 Distribute overlap matrix (307.72213s) stopped
T25 >> 1462704877.20633602 Blacs Orbital Layouts (3276.14314s) started
T25 >> 1462704877.21445608 General diagonalize (3261.38761s) started
T25 << 1462704931.14896989 General diagonalize (3315.32213s) stopped
T25 >> 1462704931.14901590 Redistribute coefs (1.04489s) started
T25 << 1462704931.16404891 Redistribute coefs (1.05993s) stopped
T25 >> 1462704931.16409111 Send coefs to domains (13.19708s) started
T25 << 1462704931.26122689 Send coefs to domains (13.29421s) stopped
T25 << 1462704931.26169109 Blacs Orbital Layouts (3330.19850s) stopped
T25 >> 1462704931.26171708 Calculate projections (281.80815s) started
T25 << 1462704936.07647109 Calculate projections (286.62290s) stopped
T25 << 1462704936.07678604 LCAO eigensolver (4127.35642s) stopped
T25 >> 1462704937.33715796 Density (865.62425s) started
T25 >> 1462704937.33717299 Pseudo density (699.92186s) started
T25 >> 1462704937.33842206 Calculate density matrix (609.14051s) started
T25 << 1462704949.96837807 Calculate density matrix (621.77047s) stopped
T25 >> 1462704949.96843290 Construct density (89.81400s) started
T25 << 1462704951.58085990 Construct density (91.42643s) stopped
T25 >> 1462704951.59319997 Symmetrize density (0.00412s) started
T25 << 1462704951.59326792 Symmetrize density (0.00419s) stopped
T25 << 1462704951.59538293 Pseudo density (714.18007s) stopped
T25 >> 1462704951.59544301 Atomic density matrices (137.79787s) started
T25 << 1462704954.27011204 Atomic density matrices (140.47254s) stopped
T25 >> 1462704954.27015305 Multipole moments (0.44148s) started
T25 << 1462704954.27905202 Multipole moments (0.45038s) stopped
T25 >> 1462704954.27910209 Normalize (0.45281s) started
T25 << 1462704954.28650594 Normalize (0.46021s) stopped
T25 >> 1462704954.28655791 Mix (27.00539s) started
T25 << 1462704954.82071209 Mix (27.53954s) stopped
T25 << 1462704954.82076097 Density (883.10785s) stopped
T25 >> 1462704954.82084489 Hamiltonian (2594.61706s) started
T25 >> 1462704954.82086205 vbar (1.49759s) started
T25 << 1462704954.85021710 vbar (1.52694s) stopped
T25 >> 1462704954.85038590 XC 3D grid (1556.30473s) started
T25 >> 1462704955.36311793 van der Waals (1502.34230s) started
T25 >> 1462704955.49370909 semilocal (325.66211s) started
T25 << 1462704961.69275689 semilocal (331.86116s) stopped
T25 >> 1462704961.75617409 redistribute (151.74430s) started
T25 << 1462704962.73077106 redistribute (152.71890s) stopped
T25 >> 1462704962.73083806 libvdwxc nonlocal (1014.04658s) started
T25 << 1462704981.85213089 libvdwxc nonlocal (1033.16787s) stopped
T25 >> 1462704981.85220194 redistribute (152.71895s) started
T25 << 1462704983.84767699 redistribute (154.71442s) stopped
T25 << 1462704983.85038996 van der Waals (1530.82957s) stopped
T25 << 1462704984.33346009 XC 3D grid (1585.78781s) stopped
T25 >> 1462704984.33351588 Poisson (474.13334s) started
T25 << 1462704988.67551303 Poisson (478.47533s) stopped
T25 >> 1462704988.67558098 Hartree integrate/restrict (20.40756s) started
T25 << 1462704988.71861196 Hartree integrate/restrict (20.45059s) stopped
T25 >> 1462704988.71872807 Hartree integrate/restrict (20.45067s) started
T25 << 1462704989.06844807 Hartree integrate/restrict (20.80039s) stopped
T25 >> 1462704989.12394309 Atomic (460.49582s) started
T25 >> 1462704989.13687205 XC Correction (307.26663s) started
T25 << 1462704996.18245006 XC Correction (314.31221s) stopped
T25 << 1462704997.56033897 Atomic (468.93221s) stopped
T25 >> 1462704997.56053710 Communicate (79.04236s) started
T25 << 1462704999.82797599 Communicate (81.30980s) stopped
T25 << 1462704999.82800102 Hamiltonian (2639.62422s) stopped
T25 >> 1462704999.82808304 LCAO eigensolver (4127.35644s) started
T25 >> 1462704999.82809711 Potential matrix (142.64959s) started
T25 << 1462705002.17449188 Potential matrix (144.99599s) stopped
T25 >> 1462705002.17458892 DistributedAtomicCorrection (59.82060s) started
T25 << 1462705003.09742308 DistributedAtomicCorrection (60.74344s) stopped
T25 >> 1462705003.09751391 Distribute overlap matrix (307.72215s) started
T25 >> 1462705003.09753990 blocked summation (300.74019s) started
T25 << 1462705008.50675607 blocked summation (306.14941s) stopped
T25 >> 1462705008.51643801 Scalapack redistribute (6.42556s) started
T25 << 1462705008.60606503 Scalapack redistribute (6.51519s) stopped
T25 << 1462705008.60614991 Distribute overlap matrix (313.23078s) stopped
T25 >> 1462705008.61072302 Blacs Orbital Layouts (3330.19852s) started
T25 >> 1462705008.61909103 General diagonalize (3315.32216s) started
T25 << 1462705063.88678908 General diagonalize (3370.58986s) stopped
T25 >> 1462705063.88683510 Redistribute coefs (1.05996s) started
T25 << 1462705063.90151596 Redistribute coefs (1.07464s) stopped
T25 >> 1462705063.90156102 Send coefs to domains (13.29425s) started
T25 << 1462705064.00123811 Send coefs to domains (13.39392s) stopped
T25 << 1462705064.00175190 Blacs Orbital Layouts (3385.58955s) stopped
T25 >> 1462705064.00178194 Calculate projections (286.62296s) started
T25 << 1462705068.81835890 Calculate projections (291.43954s) stopped
T25 << 1462705068.81866693 LCAO eigensolver (4196.34702s) stopped
T25 << 1462705070.07844090 SCF-cycle (7808.23231s) stopped
T25 >> 1462705072.78630805 Force calculation (430.89217s) started
T25 >> 1462705072.78638792 LCAO forces (386.84456s) started
T25 >> 1462705072.78676295 Initial (0.00011s) started
T25 << 1462705072.78677511 Initial (0.00012s) stopped
T25 >> 1462705072.79223609 Get density matrix (179.07035s) started
T25 << 1462705082.09020805 Get density matrix (188.36832s) stopped
T25 >> 1462705082.09025407 Potential (64.38168s) started
T25 << 1462705094.26303792 Potential (76.55446s) stopped
T25 >> 1462705094.26309490 Get density matrix (188.36835s) started
T25 << 1462705121.15659404 Get density matrix (215.26185s) stopped
T25 >> 1462705121.15665507 Prepare TCI loop (12.22113s) started
T25 >> 1462705121.15721297 Get neighbors (10.90487s) started
T25 << 1462705123.35294199 Get neighbors (13.10059s) stopped
T25 >> 1462705123.35406208 broadcast dH (1.31143s) started
T25 << 1462705123.54638004 broadcast dH (1.50375s) stopped
T25 << 1462705123.54642797 Prepare TCI loop (14.61091s) stopped
T25 >> 1462705123.54644704 Not so complicated loop (51.03277s) started
T25 << 1462705134.07322192 Not so complicated loop (61.55955s) stopped
T25 >> 1462705134.19428110 Complicated loop (79.54568s) started
T25 << 1462705150.34889698 Complicated loop (95.70029s) stopped
T25 >> 1462705150.35170698 Wait for sum (0.00052s) started
T25 << 1462705150.35179210 Wait for sum (0.00061s) stopped
T25 << 1462705150.35180593 LCAO forces (464.40998s) stopped
T25 << 1462705158.22738194 Force calculation (516.33324s) stopped
T25 >> 1462705158.24456310 Initialization (681.32049s) started
T25 << 1462705158.24473310 Initialization (681.32066s) stopped
T25 >> 1462705158.24496698 Initialization (681.32068s) started
T25 << 1462705158.24510288 Initialization (681.32082s) stopped
T25 >> 1462705158.24523711 Initialization (681.32083s) started
T25 << 1462705158.24537110 Initialization (681.32096s) stopped
T25 >> 1462705181.75358701 Initialization (681.32098s) started
T25 >> 1462705181.79064393 Basic WFS set positions (0.65363s) started
T25 >> 1462705181.79069591 Redistribute (0.10259s) started
T25 << 1462705181.83087611 Redistribute (0.14277s) stopped
T25 << 1462705181.93467093 Basic WFS set positions (0.79766s) stopped
T25 >> 1462705181.93469906 Basis functions set positions (10.17798s) started
T25 << 1462705183.96343207 Basis functions set positions (12.20671s) stopped
T25 >> 1462705183.96464705 TCI: Calculate S, T, P (136.79727s) started
T25 << 1462705207.54476500 TCI: Calculate S, T, P (160.37739s) stopped
T25 >> 1462705207.54486704 blocked summation (85.02974s) started
T25 << 1462705228.30381393 blocked summation (105.78869s) stopped
T25 >> 1462705228.31280899 Scalapack redistribute (1.69303s) started
T25 << 1462705228.41339493 Scalapack redistribute (1.79362s) stopped
T25 >> 1462705228.41436195 blocked summation (105.78872s) started
T25 << 1462705229.64171696 blocked summation (107.01608s) stopped
T25 >> 1462705229.65124989 Scalapack redistribute (1.79370s) started
T25 << 1462705229.82993197 Scalapack redistribute (1.97238s) stopped
T25 >> 1462705229.83233094 Redistribute (0.31518s) started
T25 << 1462705229.93804502 Redistribute (0.42089s) stopped
T25 >> 1462705231.79527211 Redistribute (0.42092s) started
T25 << 1462705231.79677391 Redistribute (0.42242s) stopped
T25 >> 1462705231.83084202 LCAO WFS Initialize (426.55097s) started
T25 >> 1462705231.83086801 Density initialize from wavefunctions (74.19990s) started
T25 >> 1462705231.83427095 Calculate density matrix (50.75192s) started
T25 << 1462705241.78243303 Calculate density matrix (60.70008s) stopped
T25 >> 1462705241.78248811 Construct density (8.43784s) started
T25 << 1462705243.31289005 Construct density (9.96824s) stopped
T25 >> 1462705243.49759698 Symmetrize density (0.00041s) started
T25 << 1462705243.49765611 Symmetrize density (0.00047s) stopped
T25 << 1462705246.34717894 Density initialize from wavefunctions (88.71621s) stopped
T25 >> 1462705246.34783912 Hamiltonian (351.33139s) started
T25 >> 1462705246.34786105 vbar (0.14948s) started
T25 << 1462705246.37278605 vbar (0.17441s) stopped
T25 >> 1462705246.37291503 XC 3D grid (174.85104s) started
T25 >> 1462705246.85702896 van der Waals (168.79475s) started
T25 >> 1462705246.99490190 semilocal (37.52274s) started
T25 << 1462705253.25272393 semilocal (43.78057s) stopped
T25 >> 1462705253.31645989 redistribute (16.79058s) started
T25 << 1462705254.22094202 redistribute (17.69506s) stopped
T25 >> 1462705254.22100306 libvdwxc nonlocal (113.28619s) started
T25 << 1462705273.13847589 libvdwxc nonlocal (132.20366s) stopped
T25 >> 1462705273.13854694 redistribute (17.69510s) started
T25 << 1462705275.05748296 redistribute (19.61404s) stopped
T25 << 1462705275.05988598 van der Waals (196.99760s) stopped
T25 << 1462705275.53801203 XC 3D grid (204.01613s) stopped
T25 >> 1462705275.53805709 Poisson (105.91418s) started
T25 << 1462705289.78372788 Poisson (120.15985s) stopped
T25 >> 1462705289.78379798 Hartree integrate/restrict (2.38534s) started
T25 << 1462705289.82292199 Hartree integrate/restrict (2.42446s) stopped
T25 >> 1462705289.82300401 Hartree integrate/restrict (2.42452s) started
T25 << 1462705290.17255497 Hartree integrate/restrict (2.77407s) stopped
T25 >> 1462705290.22919703 Atomic (58.37035s) started
T25 >> 1462705290.24421096 XC Correction (38.52706s) started
T25 << 1462705299.52811503 XC Correction (47.81097s) stopped
T25 << 1462705300.73898411 Atomic (68.88014s) stopped
T25 >> 1462705300.73929811 Communicate (9.25223s) started
T25 << 1462705303.59855390 Communicate (12.11149s) stopped
T25 << 1462705303.59857988 Hamiltonian (408.58213s) stopped
T25 << 1462705303.59865403 LCAO WFS Initialize (498.31878s) stopped
T25 << 1462705303.61069989 Initialization (803.17809s) stopped
T25 >> 1462705303.63781095 SCF-cycle (7808.23233s) started
T25 >> 1462705303.63785195 LCAO eigensolver (4196.34704s) started
T25 >> 1462705303.63786507 Potential matrix (144.99604s) started
T25 << 1462705305.88952208 Potential matrix (147.24770s) stopped
T25 >> 1462705305.88962197 DistributedAtomicCorrection (60.74348s) started
T25 << 1462705306.79754806 DistributedAtomicCorrection (61.65141s) stopped
T25 >> 1462705306.79759693 Distribute overlap matrix (313.23080s) started
T25 >> 1462705306.79766703 blocked summation (306.14944s) started
T25 << 1462705312.02857399 blocked summation (311.38035s) stopped
T25 >> 1462705312.03823495 Scalapack redistribute (6.51525s) started
T25 << 1462705312.14509797 Scalapack redistribute (6.62211s) stopped
T25 << 1462705312.14523792 Distribute overlap matrix (318.57844s) stopped
T25 >> 1462705312.14945292 Blacs Orbital Layouts (3385.58957s) started
T25 >> 1462705312.15740800 General diagonalize (3370.58990s) started
T25 << 1462705369.86438799 General diagonalize (3428.29688s) stopped
T25 >> 1462705369.86443496 Redistribute coefs (1.07467s) started
T25 << 1462705369.87973595 Redistribute coefs (1.08998s) stopped
T25 >> 1462705369.87978506 Send coefs to domains (13.39396s) started
T25 << 1462705370.12719893 Send coefs to domains (13.64138s) stopped
T25 << 1462705370.12763405 Blacs Orbital Layouts (3443.56775s) stopped
T25 >> 1462705370.12766194 Calculate projections (291.43960s) started
T25 << 1462705375.02868104 Calculate projections (296.34062s) stopped
T25 << 1462705375.02900600 LCAO eigensolver (4267.73820s) stopped
T25 >> 1462705376.12405610 Density (883.10786s) started
T25 >> 1462705376.12407088 Pseudo density (714.18012s) started
T25 >> 1462705376.12545896 Calculate density matrix (621.77050s) started
T25 << 1462705390.25645494 Calculate density matrix (635.90150s) stopped
T25 >> 1462705390.25651193 Construct density (91.42649s) started
T25 << 1462705391.77346611 Construct density (92.94344s) stopped
T25 >> 1462705391.93894196 Symmetrize density (0.00421s) started
T25 << 1462705391.93900490 Symmetrize density (0.00427s) stopped
T25 << 1462705391.94106007 Pseudo density (729.99711s) stopped
T25 >> 1462705391.94110990 Atomic density matrices (140.47256s) started
T25 << 1462705394.46401906 Atomic density matrices (142.99547s) stopped
T25 >> 1462705394.46406007 Multipole moments (0.45040s) started
T25 << 1462705394.47348309 Multipole moments (0.45983s) stopped
T25 >> 1462705394.47353506 Normalize (0.46025s) started
T25 << 1462705394.48035502 Normalize (0.46707s) stopped
T25 >> 1462705394.48041105 Mix (27.53959s) started
T25 << 1462705394.90403795 Mix (27.96321s) stopped
T25 << 1462705394.90415311 Density (901.88796s) stopped
T25 >> 1462705394.90431309 Hamiltonian (2639.62423s) started
T25 >> 1462705394.90433407 vbar (1.52703s) started
T25 << 1462705394.93331504 vbar (1.55602s) stopped
T25 >> 1462705394.93346310 XC 3D grid (1585.78785s) started
T25 >> 1462705395.43335700 van der Waals (1530.82968s) started
T25 >> 1462705395.56585002 semilocal (331.86126s) started
T25 << 1462705401.62913489 semilocal (337.92454s) stopped
T25 >> 1462705401.72306204 redistribute (154.71456s) started
T25 << 1462705402.76451802 redistribute (155.75601s) stopped
T25 >> 1462705402.76456308 libvdwxc nonlocal (1033.16793s) started
T25 << 1462705421.90181708 libvdwxc nonlocal (1052.30518s) stopped
T25 >> 1462705421.90188694 redistribute (155.75605s) started
T25 << 1462705423.93054008 redistribute (157.78470s) stopped
T25 << 1462705423.93307209 van der Waals (1559.32940s) stopped
T25 << 1462705424.41907811 XC 3D grid (1615.27347s) stopped
T25 >> 1462705424.41912699 Poisson (478.47538s) started
T25 << 1462705434.52391911 Poisson (488.58017s) stopped
T25 >> 1462705434.52399397 Hartree integrate/restrict (20.80043s) started
T25 << 1462705434.56296706 Hartree integrate/restrict (20.83940s) stopped
T25 >> 1462705434.56303310 Hartree integrate/restrict (20.83945s) started
T25 << 1462705434.91778588 Hartree integrate/restrict (21.19420s) stopped
T25 >> 1462705434.97463799 Atomic (468.93223s) started
T25 >> 1462705434.98944807 XC Correction (314.31223s) started
T25 << 1462705443.91414404 XC Correction (323.23693s) stopped
T25 << 1462705444.35814905 Atomic (478.31574s) stopped
T25 >> 1462705444.35836196 Communicate (81.30982s) started
T25 << 1462705448.37103796 Communicate (85.32249s) stopped
T25 << 1462705448.37106299 Hamiltonian (2693.09098s) stopped
T25 >> 1462705448.37115598 LCAO eigensolver (4267.73821s) started
T25 >> 1462705448.37118697 Potential matrix (147.24775s) started
T25 << 1462705450.63243198 Potential matrix (149.50900s) stopped
T25 >> 1462705450.63253188 DistributedAtomicCorrection (61.65145s) started
T25 << 1462705451.53245902 DistributedAtomicCorrection (62.55137s) stopped
T25 >> 1462705451.53255510 Distribute overlap matrix (318.57845s) started
T25 >> 1462705451.53257990 blocked summation (311.38038s) started
T25 << 1462705456.65060091 blocked summation (316.49840s) stopped
T25 >> 1462705456.66011405 Scalapack redistribute (6.62219s) started
T25 << 1462705456.79460001 Scalapack redistribute (6.75668s) stopped
T25 << 1462705456.79469895 Distribute overlap matrix (323.84059s) stopped
T25 >> 1462705456.80013108 Blacs Orbital Layouts (3443.56777s) started
T25 >> 1462705456.80853295 General diagonalize (3428.29692s) started
T25 << 1462705512.69564199 General diagonalize (3484.18403s) stopped
T25 >> 1462705512.69569397 Redistribute coefs (1.09001s) started
T25 << 1462705512.71150303 Redistribute coefs (1.10582s) stopped
T25 >> 1462705512.71154499 Send coefs to domains (13.64142s) started
T25 << 1462705512.98424411 Send coefs to domains (13.91412s) stopped
T25 << 1462705512.98477793 Blacs Orbital Layouts (3499.75242s) stopped
T25 >> 1462705512.98480701 Calculate projections (296.34067s) started
T25 << 1462705517.83699012 Calculate projections (301.19286s) stopped
T25 << 1462705517.83736992 LCAO eigensolver (4337.20443s) stopped
T25 >> 1462705519.06696606 Density (901.88798s) started
T25 >> 1462705519.06697989 Pseudo density (729.99715s) started
T25 >> 1462705519.06949210 Calculate density matrix (635.90153s) started
T25 << 1462705532.75600505 Calculate density matrix (649.58805s) stopped
T25 >> 1462705532.75606298 Construct density (92.94349s) started
T25 << 1462705534.28167605 Construct density (94.46910s) stopped
T25 >> 1462705534.47364712 Symmetrize density (0.00429s) started
T25 << 1462705534.47369504 Symmetrize density (0.00434s) stopped
T25 << 1462705534.47609711 Pseudo density (745.40626s) stopped
T25 >> 1462705534.47613907 Atomic density matrices (142.99550s) started
T25 << 1462705536.93611193 Atomic density matrices (145.45547s) stopped
T25 >> 1462705536.93615198 Multipole moments (0.45984s) started
T25 << 1462705536.94573092 Multipole moments (0.46942s) stopped
T25 >> 1462705536.94577789 Normalize (0.46711s) started
T25 << 1462705536.95604610 Normalize (0.47738s) stopped
T25 >> 1462705536.95611906 Mix (27.96332s) started
T25 << 1462705537.39764905 Mix (28.40485s) stopped
T25 << 1462705537.39773202 Density (920.21874s) stopped
T25 >> 1462705537.39785695 Hamiltonian (2693.09099s) started
T25 >> 1462705537.39787507 vbar (1.55609s) started
T25 << 1462705537.42507696 vbar (1.58329s) stopped
T25 >> 1462705537.42517495 XC 3D grid (1615.27351s) started
T25 >> 1462705537.91575694 van der Waals (1559.32950s) started
T25 >> 1462705538.05260491 semilocal (337.92467s) started
T25 << 1462705544.22766495 semilocal (344.09973s) stopped
T25 >> 1462705544.28934002 redistribute (157.78483s) started
T25 << 1462705545.37720203 redistribute (158.87269s) stopped
T25 >> 1462705545.37724590 libvdwxc nonlocal (1052.30523s) started
T25 << 1462705564.27900290 libvdwxc nonlocal (1071.20699s) stopped
T25 >> 1462705564.27907395 redistribute (158.87273s) started
T25 << 1462705566.00994706 redistribute (160.60360s) stopped
T25 << 1462705566.01186800 van der Waals (1587.42561s) stopped
T25 << 1462705566.50540900 XC 3D grid (1644.35374s) stopped
T25 >> 1462705566.50545001 Poisson (488.58022s) started
T25 << 1462705579.19643807 Poisson (501.27121s) stopped
T25 >> 1462705579.19653201 Hartree integrate/restrict (21.19424s) started
T25 << 1462705579.24127197 Hartree integrate/restrict (21.23898s) stopped
T25 >> 1462705579.24139595 Hartree integrate/restrict (21.23907s) started
T25 << 1462705579.57828093 Hartree integrate/restrict (21.57595s) stopped
T25 >> 1462705579.63561392 Atomic (478.31576s) started
T25 >> 1462705579.65008593 XC Correction (323.23695s) started
T25 << 1462705588.52989292 XC Correction (332.11676s) stopped
T25 << 1462705588.94629908 Atomic (487.62645s) stopped
T25 >> 1462705588.94648004 Communicate (85.32251s) started
T25 << 1462705592.22026491 Communicate (88.59629s) stopped
T25 << 1462705592.22028899 Hamiltonian (2747.91343s) stopped
T25 >> 1462705592.22036409 LCAO eigensolver (4337.20445s) started
T25 >> 1462705592.22037911 Potential matrix (149.50906s) started
T25 << 1462705594.47099495 Potential matrix (151.75967s) stopped
T25 >> 1462705594.47108793 DistributedAtomicCorrection (62.55142s) started
T25 << 1462705595.38435698 DistributedAtomicCorrection (63.46469s) stopped
T25 >> 1462705595.38444495 Distribute overlap matrix (323.84061s) started
T25 >> 1462705595.38446808 blocked summation (316.49844s) started
T25 << 1462705600.39742303 blocked summation (321.51139s) stopped
T25 >> 1462705600.40702200 Scalapack redistribute (6.75674s) started
T25 << 1462705600.51112103 Scalapack redistribute (6.86084s) stopped
T25 << 1462705600.51124096 Distribute overlap matrix (328.96740s) stopped
T25 >> 1462705600.51803303 Blacs Orbital Layouts (3499.75244s) started
T25 >> 1462705600.52661896 General diagonalize (3484.18407s) started
T25 << 1462705656.59742594 General diagonalize (3540.25487s) stopped
T25 >> 1462705656.59747505 Redistribute coefs (1.10585s) started
T25 << 1462705656.62479806 Redistribute coefs (1.13318s) stopped
T25 >> 1462705656.62483811 Send coefs to domains (13.91417s) started
T25 << 1462705656.91240907 Send coefs to domains (14.20174s) stopped
T25 << 1462705656.91287494 Blacs Orbital Layouts (3556.14728s) stopped
T25 >> 1462705656.91290593 Calculate projections (301.19291s) started
T25 << 1462705661.75153899 Calculate projections (306.03154s) stopped
T25 << 1462705661.75187898 LCAO eigensolver (4406.73596s) stopped
T25 >> 1462705663.03388405 Density (920.21876s) started
T25 >> 1462705663.03390002 Pseudo density (745.40630s) started
T25 >> 1462705663.03576398 Calculate density matrix (649.58808s) started
T25 << 1462705676.64833689 Calculate density matrix (663.20066s) stopped
T25 >> 1462705676.64839411 Construct density (94.46915s) started
T25 << 1462705678.17416000 Construct density (95.99491s) stopped
T25 >> 1462705678.37954903 Symmetrize density (0.00435s) started
T25 << 1462705678.37960696 Symmetrize density (0.00441s) stopped
T25 << 1462705678.38199210 Pseudo density (760.75439s) stopped
T25 >> 1462705678.38204694 Atomic density matrices (145.45550s) started
T25 << 1462705680.85335994 Atomic density matrices (147.92681s) stopped
T25 >> 1462705680.85339999 Multipole moments (0.46944s) started
T25 << 1462705680.86320400 Multipole moments (0.47924s) stopped
T25 >> 1462705680.86325192 Normalize (0.47743s) started
T25 << 1462705680.87115502 Normalize (0.48534s) stopped
T25 >> 1462705680.87120199 Mix (28.40493s) started
T25 << 1462705681.35726309 Mix (28.89100s) stopped
T25 << 1462705681.35734892 Density (938.54223s) stopped
T25 >> 1462705681.35747910 Hamiltonian (2747.91344s) started
T25 >> 1462705681.35749698 vbar (1.58335s) started
T25 << 1462705681.38526511 vbar (1.61111s) stopped
T25 >> 1462705681.38540292 XC 3D grid (1644.35377s) started
T25 >> 1462705681.87610507 van der Waals (1587.42572s) started
T25 >> 1462705682.00626111 semilocal (344.09981s) started
T25 << 1462705688.10482192 semilocal (350.19837s) stopped
T25 >> 1462705688.18200493 redistribute (160.60370s) started
T25 << 1462705689.32611108 redistribute (161.74781s) stopped
T25 >> 1462705689.32615590 libvdwxc nonlocal (1071.20704s) started
T25 << 1462705709.37443995 libvdwxc nonlocal (1091.25532s) stopped
T25 >> 1462705709.37450409 redistribute (161.74784s) started
T25 << 1462705711.03368402 redistribute (163.40702s) stopped
T25 << 1462705711.03588390 van der Waals (1616.58550s) stopped
T25 << 1462705711.53099704 XC 3D grid (1674.49937s) stopped
T25 >> 1462705711.53103995 Poisson (501.27128s) started
T25 << 1462705718.94695711 Poisson (508.68719s) stopped
T25 >> 1462705718.94702601 Hartree integrate/restrict (21.57599s) started
T25 << 1462705719.01411891 Hartree integrate/restrict (21.64308s) stopped
T25 >> 1462705719.01416898 Hartree integrate/restrict (21.64311s) started
T25 << 1462705719.33346796 Hartree integrate/restrict (21.96241s) stopped
T25 >> 1462705719.39279294 Atomic (487.62646s) started
T25 >> 1462705719.40743589 XC Correction (332.11678s) started
T25 << 1462705727.86293793 XC Correction (340.57228s) stopped
T25 << 1462705728.73047709 Atomic (496.96415s) stopped
T25 >> 1462705728.73066592 Communicate (88.59631s) started
T25 << 1462705731.86417103 Communicate (91.72981s) stopped
T25 << 1462705731.86419606 Hamiltonian (2798.42016s) stopped
T25 >> 1462705731.86428094 LCAO eigensolver (4406.73598s) started
T25 >> 1462705731.86429501 Potential matrix (151.75972s) started
T25 << 1462705734.13071799 Potential matrix (154.02615s) stopped
T25 >> 1462705734.13081908 DistributedAtomicCorrection (63.46472s) started
T25 << 1462705735.05102491 DistributedAtomicCorrection (64.38493s) stopped
T25 >> 1462705735.05112004 Distribute overlap matrix (328.96742s) started
T25 >> 1462705735.05114508 blocked summation (321.51143s) started
T25 << 1462705740.10393596 blocked summation (326.56422s) stopped
T25 >> 1462705740.11303902 Scalapack redistribute (6.86092s) started
T25 << 1462705740.23750305 Scalapack redistribute (6.98538s) stopped
T25 << 1462705740.23760200 Distribute overlap matrix (334.15390s) stopped
T25 >> 1462705740.24327588 Blacs Orbital Layouts (3556.14730s) started
T25 >> 1462705740.25173497 General diagonalize (3540.25492s) started
T25 << 1462705793.68350291 General diagonalize (3593.68668s) stopped
T25 >> 1462705793.68355107 Redistribute coefs (1.13321s) started
T25 << 1462705793.69943810 Redistribute coefs (1.14909s) stopped
T25 >> 1462705793.69948196 Send coefs to domains (14.20178s) started
T25 << 1462705793.80118108 Send coefs to domains (14.30348s) stopped
T25 << 1462705793.80165410 Blacs Orbital Layouts (3609.70568s) stopped
T25 >> 1462705793.80168390 Calculate projections (306.03159s) started
T25 << 1462705798.69949794 Calculate projections (310.92941s) stopped
T25 << 1462705798.69967198 LCAO eigensolver (4473.57137s) stopped
T25 >> 1462705799.87385011 Density (938.54224s) started
T25 >> 1462705799.87386489 Pseudo density (760.75443s) started
T25 >> 1462705799.87549305 Calculate density matrix (663.20070s) started
T25 << 1462705813.47310305 Calculate density matrix (676.79831s) stopped
T25 >> 1462705813.47315788 Construct density (95.99497s) started
T25 << 1462705814.99595404 Construct density (97.51776s) stopped
T25 >> 1462705815.18136311 Symmetrize density (0.00443s) started
T25 << 1462705815.18142295 Symmetrize density (0.00449s) stopped
T25 << 1462705815.18349409 Pseudo density (776.06406s) stopped
T25 >> 1462705815.18355393 Atomic density matrices (147.92683s) started
T25 << 1462705817.67843199 Atomic density matrices (150.42171s) stopped
T25 >> 1462705817.67847395 Multipole moments (0.47926s) started
T25 << 1462705817.68845701 Multipole moments (0.48924s) stopped
T25 >> 1462705817.68850708 Normalize (0.48537s) started
T25 << 1462705817.69527292 Normalize (0.49214s) stopped
T25 >> 1462705817.69535494 Mix (28.89108s) started
T25 << 1462705818.20434308 Mix (29.40007s) stopped
T25 << 1462705818.20442891 Density (956.87282s) stopped
T25 >> 1462705818.20455194 Hamiltonian (2798.42017s) started
T25 >> 1462705818.20456910 vbar (1.61119s) started
T25 << 1462705818.23966908 vbar (1.64629s) stopped
T25 >> 1462705818.23981309 XC 3D grid (1674.49940s) started
T25 >> 1462705818.73114705 van der Waals (1616.58561s) started
T25 >> 1462705818.86216998 semilocal (350.19848s) started
T25 << 1462705824.93689489 semilocal (356.27321s) stopped
T25 >> 1462705825.02947998 redistribute (163.40713s) started
T25 << 1462705826.44813991 redistribute (164.82579s) stopped
T25 >> 1462705826.44818711 libvdwxc nonlocal (1091.25537s) started
T25 << 1462705845.52798891 libvdwxc nonlocal (1110.33517s) stopped
T25 >> 1462705845.52805710 redistribute (164.82583s) started
T25 << 1462705847.56195307 redistribute (166.85973s) stopped
T25 << 1462705847.56420112 van der Waals (1645.41866s) stopped
T25 << 1462705848.04937792 XC 3D grid (1704.30897s) stopped
T25 >> 1462705848.04943299 Poisson (508.68724s) started
T25 << 1462705855.33567500 Poisson (515.97349s) stopped
T25 >> 1462705855.33578300 Hartree integrate/restrict (21.96246s) started
T25 << 1462705855.37060499 Hartree integrate/restrict (21.99728s) stopped
T25 >> 1462705855.37072301 Hartree integrate/restrict (21.99736s) started
T25 << 1462705855.73260498 Hartree integrate/restrict (22.35924s) stopped
T25 >> 1462705855.78921604 Atomic (496.96417s) started
T25 >> 1462705855.80420995 XC Correction (340.57231s) started
T25 << 1462705864.13055396 XC Correction (348.89865s) stopped
T25 << 1462705864.53641796 Atomic (505.71137s) stopped
T25 >> 1462705864.53661489 Communicate (91.72983s) started
T25 << 1462705868.25910211 Communicate (95.45232s) stopped
T25 << 1462705868.25912809 Hamiltonian (2848.47475s) stopped
T25 >> 1462705868.25921512 LCAO eigensolver (4473.57139s) started
T25 >> 1462705868.25922894 Potential matrix (154.02620s) started
T25 << 1462705870.52163410 Potential matrix (156.28861s) stopped
T25 >> 1462705870.52173400 DistributedAtomicCorrection (64.38497s) started
T25 << 1462705871.43760610 DistributedAtomicCorrection (65.30084s) stopped
T25 >> 1462705871.43770599 Distribute overlap matrix (334.15392s) started
T25 >> 1462705871.43773103 blocked summation (326.56425s) started
T25 << 1462705876.52489495 blocked summation (331.65142s) stopped
T25 >> 1462705876.53375793 Scalapack redistribute (6.98545s) started
T25 << 1462705876.65019011 Scalapack redistribute (7.10188s) stopped
T25 << 1462705876.65026212 Distribute overlap matrix (339.36648s) stopped
T25 >> 1462705876.65543604 Blacs Orbital Layouts (3609.70570s) started
T25 >> 1462705876.66361809 General diagonalize (3593.68672s) started
T25 << 1462705932.26913190 General diagonalize (3649.29224s) stopped
T25 >> 1462705932.26918101 Redistribute coefs (1.14913s) started
T25 << 1462705932.28499508 Redistribute coefs (1.16494s) stopped
T25 >> 1462705932.28504109 Send coefs to domains (14.30352s) started
T25 << 1462705932.39873791 Send coefs to domains (14.41722s) stopped
T25 << 1462705932.39926410 Blacs Orbital Layouts (3665.44953s) stopped
T25 >> 1462705932.39929295 Calculate projections (310.92946s) started
T25 << 1462705937.25088811 Calculate projections (315.78106s) stopped
T25 << 1462705937.25108790 LCAO eigensolver (4542.56326s) stopped
T25 >> 1462705938.46096396 Density (956.87284s) started
T25 >> 1462705938.46097898 Pseudo density (776.06411s) started
T25 >> 1462705938.46266294 Calculate density matrix (676.79834s) started
T25 << 1462705952.10115695 Calculate density matrix (690.43684s) stopped
T25 >> 1462705952.10121393 Construct density (97.51781s) started
T25 << 1462705953.62729692 Construct density (99.04390s) stopped
T25 >> 1462705953.80050802 Symmetrize density (0.00450s) started
T25 << 1462705953.80056310 Symmetrize density (0.00456s) stopped
T25 << 1462705953.80295992 Pseudo density (791.40609s) stopped
T25 >> 1462705953.80300212 Atomic density matrices (150.42174s) started
T25 << 1462705956.29021311 Atomic density matrices (152.90895s) stopped
T25 >> 1462705956.29025197 Multipole moments (0.48926s) started
T25 << 1462705956.30138397 Multipole moments (0.50039s) stopped
T25 >> 1462705956.30143189 Normalize (0.49220s) started
T25 << 1462705956.30874205 Normalize (0.49951s) stopped
T25 >> 1462705956.30877900 Mix (29.40015s) started
T25 << 1462705956.82842207 Mix (29.91979s) stopped
T25 << 1462705956.82846999 Density (975.24034s) stopped
T25 >> 1462705956.82856011 Hamiltonian (2848.47476s) started
T25 >> 1462705956.82857609 vbar (1.64637s) started
T25 << 1462705956.85646701 vbar (1.67426s) stopped
T25 >> 1462705956.85661507 XC 3D grid (1704.30901s) started
T25 >> 1462705957.37841296 van der Waals (1645.41878s) started
T25 >> 1462705957.50855088 semilocal (356.27335s) started
T25 << 1462705963.78860092 semilocal (362.55340s) stopped
T25 >> 1462705963.85203600 redistribute (166.85986s) started
T25 << 1462705965.25219393 redistribute (168.26001s) stopped
T25 >> 1462705965.25223804 libvdwxc nonlocal (1110.33523s) started
T25 << 1462705984.43039107 libvdwxc nonlocal (1129.51338s) stopped
T25 >> 1462705984.43046188 redistribute (168.26005s) started
T25 << 1462705986.10914803 redistribute (169.93873s) stopped
T25 << 1462705986.11134696 van der Waals (1674.15171s) stopped
T25 << 1462705986.59264803 XC 3D grid (1734.04504s) stopped
T25 >> 1462705986.59268999 Poisson (515.97357s) started
T25 << 1462705992.37153101 Poisson (521.75241s) stopped
T25 >> 1462705992.37159300 Hartree integrate/restrict (22.35928s) started
T25 << 1462705992.42664504 Hartree integrate/restrict (22.41433s) stopped
T25 >> 1462705992.42669606 Hartree integrate/restrict (22.41437s) started
T25 << 1462705992.74470401 Hartree integrate/restrict (22.73237s) stopped
T25 >> 1462705992.80314803 Atomic (505.71139s) started
T25 >> 1462705992.81806302 XC Correction (348.89867s) started
T25 << 1462706001.01693201 XC Correction (357.09754s) stopped
T25 << 1462706001.44557500 Atomic (514.35381s) stopped
T25 >> 1462706001.44575596 Communicate (95.45233s) started
T25 << 1462706005.27640796 Communicate (99.28299s) stopped
T25 << 1462706005.27643490 Hamiltonian (2896.92263s) stopped
T25 >> 1462706005.27653599 LCAO eigensolver (4542.56328s) started
T25 >> 1462706005.27655101 Potential matrix (156.28866s) started
T25 << 1462706007.52307200 Potential matrix (158.53518s) stopped
T25 >> 1462706007.52316189 DistributedAtomicCorrection (65.30088s) started
T25 << 1462706008.42810011 DistributedAtomicCorrection (66.20582s) stopped
T25 >> 1462706008.42818689 Distribute overlap matrix (339.36649s) started
T25 >> 1462706008.42821002 blocked summation (331.65145s) started
T25 << 1462706013.52161288 blocked summation (336.74485s) stopped
T25 >> 1462706013.53027201 Scalapack redistribute (7.10191s) started
T25 << 1462706013.63774991 Scalapack redistribute (7.20939s) stopped
T25 << 1462706013.63785195 Distribute overlap matrix (344.57615s) stopped
T25 >> 1462706013.64346504 Blacs Orbital Layouts (3665.44955s) started
T25 >> 1462706013.65154099 General diagonalize (3649.29228s) started
T25 << 1462706068.60076189 General diagonalize (3704.24150s) stopped
T25 >> 1462706068.60080791 Redistribute coefs (1.16498s) started
T25 << 1462706068.61669898 Redistribute coefs (1.18087s) stopped
T25 >> 1462706068.61674190 Send coefs to domains (14.41725s) started
T25 << 1462706068.71795201 Send coefs to domains (14.51846s) stopped
T25 << 1462706068.71853590 Blacs Orbital Layouts (3720.52462s) stopped
T25 >> 1462706068.71856904 Calculate projections (315.78111s) started
T25 << 1462706073.57064891 Calculate projections (320.63319s) stopped
T25 << 1462706073.57082701 LCAO eigensolver (4610.85757s) stopped
T25 >> 1462706074.78000093 Density (975.24036s) started
T25 >> 1462706074.78001595 Pseudo density (791.40612s) started
T25 >> 1462706074.78171802 Calculate density matrix (690.43687s) started
T25 << 1462706088.47195601 Calculate density matrix (704.12711s) stopped
T25 >> 1462706088.47201109 Construct density (99.04394s) started
T25 << 1462706090.00037909 Construct density (100.57231s) stopped
T25 >> 1462706090.20331311 Symmetrize density (0.00457s) started
T25 << 1462706090.20336294 Symmetrize density (0.00462s) stopped
T25 << 1462706090.20577502 Pseudo density (806.83188s) stopped
T25 >> 1462706090.20581794 Atomic density matrices (152.90897s) started
T25 << 1462706092.64853406 Atomic density matrices (155.35169s) stopped
T25 >> 1462706092.64857292 Multipole moments (0.50041s) started
T25 << 1462706092.65894508 Multipole moments (0.51078s) stopped
T25 >> 1462706092.65899301 Normalize (0.49954s) started
T25 << 1462706092.66657805 Normalize (0.50712s) stopped
T25 >> 1462706092.66661501 Mix (29.91984s) started
T25 << 1462706093.17266607 Mix (30.42589s) stopped
T25 << 1462706093.17275906 Density (993.63311s) stopped
T25 >> 1462706093.17289400 Hamiltonian (2896.92265s) started
T25 >> 1462706093.17291188 vbar (1.67435s) started
T25 << 1462706093.20110011 vbar (1.70253s) stopped
T25 >> 1462706093.20118904 XC 3D grid (1734.04508s) started
T25 >> 1462706093.70837903 van der Waals (1674.15183s) started
T25 >> 1462706093.83703995 semilocal (362.55347s) started
T25 << 1462706099.94989395 semilocal (368.66632s) stopped
T25 >> 1462706100.03913212 redistribute (169.93887s) started
T25 << 1462706101.53663397 redistribute (171.43637s) stopped
T25 >> 1462706101.53667688 libvdwxc nonlocal (1129.51344s) started
T25 << 1462706121.03234410 libvdwxc nonlocal (1149.00910s) stopped
T25 >> 1462706121.03240800 redistribute (171.43640s) started
T25 << 1462706123.85696912 redistribute (174.26096s) stopped
T25 << 1462706123.85898089 van der Waals (1704.30243s) stopped
T25 << 1462706124.34320593 XC 3D grid (1765.18709s) stopped
T25 >> 1462706124.34324694 Poisson (521.75246s) started
T25 << 1462706131.62177396 Poisson (529.03099s) stopped
T25 >> 1462706131.62183690 Hartree integrate/restrict (22.73243s) started
T25 << 1462706131.67670798 Hartree integrate/restrict (22.78730s) stopped
T25 >> 1462706131.67675900 Hartree integrate/restrict (22.78734s) started
T25 << 1462706132.00350094 Hartree integrate/restrict (23.11408s) stopped
T25 >> 1462706132.06420398 Atomic (514.35383s) started
T25 >> 1462706132.07898402 XC Correction (357.09757s) started
T25 << 1462706140.20895290 XC Correction (365.22753s) stopped
T25 << 1462706140.64682508 Atomic (522.93645s) stopped
T25 >> 1462706140.64700890 Communicate (99.28300s) started
T25 << 1462706144.43191600 Communicate (103.06791s) stopped
T25 << 1462706144.43194389 Hamiltonian (2948.18170s) stopped
T25 >> 1462706144.43204808 LCAO eigensolver (4610.85759s) started
T25 >> 1462706144.43206310 Potential matrix (158.53524s) started
T25 << 1462706146.68780494 Potential matrix (160.79098s) stopped
T25 >> 1462706146.68789411 DistributedAtomicCorrection (66.20585s) started
T25 << 1462706147.60744405 DistributedAtomicCorrection (67.12540s) stopped
T25 >> 1462706147.60753202 Distribute overlap matrix (344.57617s) started
T25 >> 1462706147.60755491 blocked summation (336.74489s) started
T25 << 1462706152.63949704 blocked summation (341.77683s) stopped
T25 >> 1462706152.64832306 Scalapack redistribute (7.20946s) started
T25 << 1462706152.76373506 Scalapack redistribute (7.32487s) stopped
T25 << 1462706152.76381898 Distribute overlap matrix (349.73245s) stopped
T25 >> 1462706152.76880097 Blacs Orbital Layouts (3720.52464s) started
T25 >> 1462706152.77673006 General diagonalize (3704.24154s) started
T25 << 1462706208.30480409 General diagonalize (3759.76961s) stopped
T25 >> 1462706208.30484796 Redistribute coefs (1.18090s) started
T25 << 1462706208.32552004 Redistribute coefs (1.20157s) stopped
T25 >> 1462706208.32556009 Send coefs to domains (14.51850s) started
T25 << 1462706208.42279100 Send coefs to domains (14.61573s) stopped
T25 << 1462706208.42330098 Blacs Orbital Layouts (3776.17914s) stopped
T25 >> 1462706208.42332911 Calculate projections (320.63323s) started
T25 << 1462706213.31669402 Calculate projections (325.52660s) stopped
T25 << 1462706213.31689405 LCAO eigensolver (4679.74243s) stopped
T25 >> 1462706214.47844696 Density (993.63313s) started
T25 >> 1462706214.47846293 Pseudo density (806.83192s) started
T25 >> 1462706214.47990799 Calculate density matrix (704.12715s) started
T25 << 1462706228.12790489 Calculate density matrix (717.77514s) stopped
T25 >> 1462706228.12795901 Construct density (100.57236s) started
T25 << 1462706229.64989591 Construct density (102.09429s) stopped
T25 >> 1462706229.83709598 Symmetrize density (0.00464s) started
T25 << 1462706229.83716011 Symmetrize density (0.00471s) stopped
T25 << 1462706229.83925200 Pseudo density (822.19270s) stopped
T25 >> 1462706229.83931303 Atomic density matrices (155.35171s) started
T25 << 1462706232.32645702 Atomic density matrices (157.83886s) stopped
T25 >> 1462706232.32649803 Multipole moments (0.51080s) started
T25 << 1462706232.33614302 Multipole moments (0.52045s) stopped
T25 >> 1462706232.33619308 Normalize (0.50715s) started
T25 << 1462706232.34294391 Normalize (0.51390s) stopped
T25 >> 1462706232.34299994 Mix (30.42598s) started
T25 << 1462706232.85378909 Mix (30.93677s) stopped
T25 << 1462706232.85386205 Density (1012.00854s) stopped
T25 >> 1462706232.85398197 Hamiltonian (2948.18171s) started
T25 >> 1462706232.85400200 vbar (1.70258s) started
T25 << 1462706232.87562299 vbar (1.72420s) stopped
T25 >> 1462706232.87576103 XC 3D grid (1765.18713s) started
T25 >> 1462706233.39567995 van der Waals (1704.30252s) started
T25 >> 1462706233.52979803 semilocal (368.66646s) started
T25 << 1462706239.72084308 semilocal (374.85751s) stopped
T25 >> 1462706239.80783010 redistribute (174.26107s) started
T25 << 1462706241.42664909 redistribute (175.87989s) stopped
T25 >> 1462706241.42671108 libvdwxc nonlocal (1149.00915s) started
T25 << 1462706260.28823590 libvdwxc nonlocal (1167.87068s) stopped
T25 >> 1462706260.28830791 redistribute (175.87994s) started
T25 << 1462706263.12227297 redistribute (178.71390s) stopped
T25 << 1462706263.12459707 van der Waals (1734.03144s) stopped
T25 << 1462706263.60701609 XC 3D grid (1795.91838s) stopped
T25 >> 1462706263.60705805 Poisson (529.03103s) started
T25 << 1462706267.96186590 Poisson (533.38584s) stopped
T25 >> 1462706267.96192694 Hartree integrate/restrict (23.11414s) started
T25 << 1462706268.00746894 Hartree integrate/restrict (23.15968s) stopped
T25 >> 1462706268.00751805 Hartree integrate/restrict (23.15971s) started
T25 << 1462706268.34544492 Hartree integrate/restrict (23.49764s) stopped
T25 >> 1462706268.40239692 Atomic (522.93647s) started
T25 >> 1462706268.41706896 XC Correction (365.22756s) started
T25 << 1462706276.55885696 XC Correction (373.36935s) stopped
T25 << 1462706276.94462299 Atomic (531.47870s) stopped
T25 >> 1462706276.94481707 Communicate (103.06793s) started
T25 << 1462706280.74678302 Communicate (106.86989s) stopped
T25 << 1462706280.74680805 Hamiltonian (2996.07454s) stopped
T25 >> 1462706280.74689388 LCAO eigensolver (4679.74245s) started
T25 >> 1462706280.74690890 Potential matrix (160.79103s) started
T25 << 1462706283.01224995 Potential matrix (163.05637s) stopped
T25 >> 1462706283.01234889 DistributedAtomicCorrection (67.12544s) started
T25 << 1462706283.91543698 DistributedAtomicCorrection (68.02853s) stopped
T25 >> 1462706283.91553307 Distribute overlap matrix (349.73247s) started
T25 >> 1462706283.91555905 blocked summation (341.77686s) started
T25 << 1462706289.13500309 blocked summation (346.99631s) stopped
T25 >> 1462706289.14377093 Scalapack redistribute (7.32492s) started
T25 << 1462706289.25063300 Scalapack redistribute (7.43178s) stopped
T25 << 1462706289.25073910 Distribute overlap matrix (355.06767s) stopped
T25 >> 1462706289.25789094 Blacs Orbital Layouts (3776.17916s) started
T25 >> 1462706289.26701188 General diagonalize (3759.76965s) started
T25 << 1462706345.66920495 General diagonalize (3816.17184s) stopped
T25 >> 1462706345.66927791 Redistribute coefs (1.20160s) started
T25 << 1462706345.68377900 Redistribute coefs (1.21610s) stopped
T25 >> 1462706345.68384099 Send coefs to domains (14.61577s) started
T25 << 1462706345.77276111 Send coefs to domains (14.70469s) stopped
T25 << 1462706345.77326202 Blacs Orbital Layouts (3832.69453s) stopped
T25 >> 1462706345.77328992 Calculate projections (325.52665s) started
T25 << 1462706350.66828609 Calculate projections (330.42165s) stopped
T25 << 1462706350.66846609 LCAO eigensolver (4749.66402s) stopped
T25 >> 1462706351.84365201 Density (1012.00856s) started
T25 >> 1462706351.84366798 Pseudo density (822.19275s) started
T25 >> 1462706351.84535694 Calculate density matrix (717.77518s) started
T25 << 1462706365.42121601 Calculate density matrix (731.35104s) stopped
T25 >> 1462706365.42126989 Construct density (102.09435s) started
T25 << 1462706366.94162512 Construct density (103.61471s) stopped
T25 >> 1462706367.15108204 Symmetrize density (0.00472s) started
T25 << 1462706367.15112209 Symmetrize density (0.00476s) stopped
T25 << 1462706367.15311193 Pseudo density (837.50220s) stopped
T25 >> 1462706367.15315509 Atomic density matrices (157.83888s) started
T25 << 1462706369.61926794 Atomic density matrices (160.30500s) stopped
T25 >> 1462706369.61930895 Multipole moments (0.52046s) started
T25 << 1462706369.62981701 Multipole moments (0.53097s) stopped
T25 >> 1462706369.62986898 Normalize (0.51394s) started
T25 << 1462706369.63682389 Normalize (0.52090s) stopped
T25 >> 1462706369.63687301 Mix (30.93684s) started
T25 << 1462706370.15221405 Mix (31.45218s) stopped
T25 << 1462706370.15231299 Density (1030.31722s) stopped
T25 >> 1462706370.15245509 Hamiltonian (2996.07455s) started
T25 >> 1462706370.15247297 vbar (1.72428s) started
T25 << 1462706370.18233705 vbar (1.75414s) stopped
T25 >> 1462706370.18246698 XC 3D grid (1795.91841s) started
T25 >> 1462706370.67737293 van der Waals (1734.03154s) started
T25 >> 1462706370.81067109 semilocal (374.85762s) started
T25 << 1462706376.98567796 semilocal (381.03263s) stopped
T25 >> 1462706377.06166911 redistribute (178.71402s) started
T25 << 1462706378.81689811 redistribute (180.46925s) stopped
T25 >> 1462706378.81694198 libvdwxc nonlocal (1167.87073s) started
T25 << 1462706397.91805506 libvdwxc nonlocal (1186.97185s) stopped
T25 >> 1462706397.91812611 redistribute (180.46928s) started
T25 << 1462706400.71792889 redistribute (183.26908s) stopped
T25 << 1462706400.72013807 van der Waals (1764.07431s) stopped
T25 << 1462706401.20004702 XC 3D grid (1826.93599s) stopped
T25 >> 1462706401.20009494 Poisson (533.38588s) started
T25 << 1462706405.60476995 Poisson (537.79056s) stopped
T25 >> 1462706405.60485005 Hartree integrate/restrict (23.49767s) started
T25 << 1462706405.64005089 Hartree integrate/restrict (23.53287s) stopped
T25 >> 1462706405.64011598 Hartree integrate/restrict (23.53291s) started
T25 << 1462706406.00458288 Hartree integrate/restrict (23.89738s) stopped
T25 >> 1462706406.06413507 Atomic (531.47872s) started
T25 >> 1462706406.07873011 XC Correction (373.36937s) started
T25 << 1462706414.20488811 XC Correction (381.49553s) stopped
T25 << 1462706414.75309706 Atomic (540.16768s) stopped
T25 >> 1462706414.75329399 Communicate (106.86991s) started
T25 << 1462706418.32330799 Communicate (110.43992s) stopped
T25 << 1462706418.32333493 Hamiltonian (3044.24543s) stopped
T25 >> 1462706418.32342601 LCAO eigensolver (4749.66404s) started
T25 >> 1462706418.32344103 Potential matrix (163.05642s) started
T25 << 1462706420.57709098 Potential matrix (165.31007s) stopped
T25 >> 1462706420.57719207 DistributedAtomicCorrection (68.02857s) started
T25 << 1462706421.49134111 DistributedAtomicCorrection (68.94272s) stopped
T25 >> 1462706421.49143410 Distribute overlap matrix (355.06769s) started
T25 >> 1462706421.49145889 blocked summation (346.99634s) started
T25 << 1462706426.58769703 blocked summation (352.09258s) stopped
T25 >> 1462706426.59682393 Scalapack redistribute (7.43185s) started
T25 << 1462706426.72129703 Scalapack redistribute (7.55633s) stopped
T25 << 1462706426.72138000 Distribute overlap matrix (360.29764s) stopped
T25 >> 1462706426.72604394 Blacs Orbital Layouts (3832.69455s) started
T25 >> 1462706426.73434305 General diagonalize (3816.17190s) started
T25 << 1462706482.73622394 General diagonalize (3872.17378s) stopped
T25 >> 1462706482.73628998 Redistribute coefs (1.21615s) started
T25 << 1462706482.75171399 Redistribute coefs (1.23158s) stopped
T25 >> 1462706482.75175691 Send coefs to domains (14.70472s) started
T25 << 1462706482.94513297 Send coefs to domains (14.89810s) stopped
T25 << 1462706482.94554901 Blacs Orbital Layouts (3888.91406s) stopped
T25 >> 1462706482.94557810 Calculate projections (330.42171s) started
T25 << 1462706487.84304905 Calculate projections (335.31918s) stopped
T25 << 1462706487.84348392 LCAO eigensolver (4819.18410s) stopped
T25 >> 1462706489.02267408 Density (1030.31724s) started
T25 >> 1462706489.02268791 Pseudo density (837.50223s) started
T25 >> 1462706489.02423406 Calculate density matrix (731.35107s) started
T25 << 1462706502.66579103 Calculate density matrix (744.99263s) stopped
T25 >> 1462706502.66584492 Construct density (103.61477s) started
T25 << 1462706504.18531489 Construct density (105.13424s) stopped
T25 >> 1462706504.39619803 Symmetrize density (0.00478s) started
T25 << 1462706504.39625311 Symmetrize density (0.00483s) stopped
T25 << 1462706504.39832711 Pseudo density (852.87787s) stopped
T25 >> 1462706504.39838910 Atomic density matrices (160.30502s) started
T25 << 1462706506.84329700 Atomic density matrices (162.74993s) stopped
T25 >> 1462706506.84333801 Multipole moments (0.53099s) started
T25 << 1462706506.85377908 Multipole moments (0.54143s) stopped
T25 >> 1462706506.85382891 Normalize (0.52093s) started
T25 << 1462706506.86058497 Normalize (0.52769s) stopped
T25 >> 1462706506.86068201 Mix (31.45227s) started
T25 << 1462706507.38715410 Mix (31.97874s) stopped
T25 << 1462706507.38724995 Density (1048.68181s) stopped
T25 >> 1462706507.38737297 Hamiltonian (3044.24544s) started
T25 >> 1462706507.38739109 vbar (1.75421s) started
T25 << 1462706507.41962290 vbar (1.78644s) stopped
T25 >> 1462706507.41977191 XC 3D grid (1826.93603s) started
T25 >> 1462706507.91473699 van der Waals (1764.07442s) started
T25 >> 1462706508.04928708 semilocal (381.03274s) started
T25 << 1462706514.37013507 semilocal (387.35359s) stopped
T25 >> 1462706514.47766209 redistribute (183.26922s) started
T25 << 1462706515.93700409 redistribute (184.72856s) stopped
T25 >> 1462706515.93706107 libvdwxc nonlocal (1186.97190s) started
T25 << 1462706534.67872000 libvdwxc nonlocal (1205.71356s) stopped
T25 >> 1462706534.67877793 redistribute (184.72860s) started
T25 << 1462706536.56488609 redistribute (186.61471s) stopped
T25 << 1462706536.56715393 van der Waals (1792.72683s) stopped
T25 << 1462706537.05502391 XC 3D grid (1856.57128s) stopped
T25 >> 1462706537.05506492 Poisson (537.79061s) started
T25 << 1462706541.41287589 Poisson (542.14843s) stopped
T25 >> 1462706541.41296601 Hartree integrate/restrict (23.89741s) started
T25 << 1462706541.45558500 Hartree integrate/restrict (23.94003s) stopped
T25 >> 1462706541.45565510 Hartree integrate/restrict (23.94007s) started
T25 << 1462706541.79724002 Hartree integrate/restrict (24.28165s) stopped
T25 >> 1462706541.85240293 Atomic (540.16770s) started
T25 >> 1462706541.86702490 XC Correction (381.49555s) started
T25 << 1462706550.03936291 XC Correction (389.66789s) stopped
T25 << 1462706550.50294995 Atomic (548.81824s) stopped
T25 >> 1462706550.50314808 Communicate (110.43994s) started
T25 << 1462706554.05291700 Communicate (113.98971s) stopped
T25 << 1462706554.05294299 Hamiltonian (3090.91101s) stopped
T25 >> 1462706554.05303097 LCAO eigensolver (4819.18412s) started
T25 >> 1462706554.05304694 Potential matrix (165.31013s) started
T25 << 1462706556.31612206 Potential matrix (167.57321s) stopped
T25 >> 1462706556.31622195 DistributedAtomicCorrection (68.94276s) started
T25 << 1462706557.25363588 DistributedAtomicCorrection (69.88017s) stopped
T25 >> 1462706557.25373006 Distribute overlap matrix (360.29765s) started
T25 >> 1462706557.25375509 blocked summation (352.09263s) started
T25 << 1462706562.26103306 blocked summation (357.09991s) stopped
T25 >> 1462706562.27026010 Scalapack redistribute (7.55636s) started
T25 << 1462706562.36818504 Scalapack redistribute (7.65429s) stopped
T25 << 1462706562.36830211 Distribute overlap matrix (365.41222s) stopped
T25 >> 1462706562.37372708 Blacs Orbital Layouts (3888.91407s) started
T25 >> 1462706562.38180995 General diagonalize (3872.17384s) started
T25 << 1462706618.45480204 General diagonalize (3928.24683s) stopped
T25 >> 1462706618.45485711 Redistribute coefs (1.23161s) started
T25 << 1462706618.47029591 Redistribute coefs (1.24705s) stopped
T25 >> 1462706618.47034192 Send coefs to domains (14.89813s) started
T25 << 1462706618.64347196 Send coefs to domains (15.07126s) stopped
T25 << 1462706618.64401102 Blacs Orbital Layouts (3945.18436s) stopped
T25 >> 1462706618.64404392 Calculate projections (335.31949s) started
T25 << 1462706623.49696708 Calculate projections (340.17241s) stopped
T25 << 1462706623.49715400 LCAO eigensolver (4888.62824s) stopped
T25 >> 1462706624.64281297 Density (1048.68183s) started
T25 >> 1462706624.64282799 Pseudo density (852.87792s) started
T25 >> 1462706624.64470506 Calculate density matrix (744.99266s) started
T25 << 1462706638.49507809 Calculate density matrix (758.84304s) stopped
T25 >> 1462706638.49513698 Construct density (105.13429s) started
T25 << 1462706640.01339793 Construct density (106.65256s) stopped
T25 >> 1462706640.16093206 Symmetrize density (0.00485s) started
T25 << 1462706640.16097498 Symmetrize density (0.00489s) stopped
T25 << 1462706640.16297698 Pseudo density (868.39807s) stopped
T25 >> 1462706640.16302609 Atomic density matrices (162.74996s) started
T25 << 1462706642.68077803 Atomic density matrices (165.26771s) stopped
T25 >> 1462706642.68081808 Multipole moments (0.54145s) started
T25 << 1462706642.69013309 Multipole moments (0.55076s) stopped
T25 >> 1462706642.69018197 Normalize (0.52777s) started
T25 << 1462706642.69686604 Normalize (0.53445s) stopped
T25 >> 1462706642.69696212 Mix (31.97884s) started
T25 << 1462706643.21703696 Mix (32.49891s) stopped
T25 << 1462706643.21715403 Density (1067.25617s) stopped
T25 >> 1462706643.21729493 Hamiltonian (3090.91102s) started
T25 >> 1462706643.21731305 vbar (1.78653s) started
T25 << 1462706643.24941111 vbar (1.81863s) stopped
T25 >> 1462706643.24954700 XC 3D grid (1856.57132s) started
T25 >> 1462706643.74899507 van der Waals (1792.72694s) started
T25 >> 1462706643.87772799 semilocal (387.35369s) started
T25 << 1462706649.93459201 semilocal (393.41056s) stopped
T25 >> 1462706650.01125503 redistribute (186.61486s) started
T25 << 1462706651.68263793 redistribute (188.28624s) stopped
T25 >> 1462706651.68270302 libvdwxc nonlocal (1205.71360s) started
T25 << 1462706670.40004396 libvdwxc nonlocal (1224.43095s) stopped
T25 >> 1462706670.40011501 redistribute (188.28629s) started
T25 << 1462706672.39006710 redistribute (190.27624s) stopped
T25 << 1462706672.39219809 van der Waals (1821.37015s) stopped
T25 << 1462706672.87730598 XC 3D grid (1886.19907s) stopped
T25 >> 1462706672.87736011 Poisson (542.14849s) started
T25 << 1462706675.80660701 Poisson (545.07774s) stopped
T25 >> 1462706675.80665302 Hartree integrate/restrict (24.28170s) started
T25 << 1462706675.85249090 Hartree integrate/restrict (24.32754s) stopped
T25 >> 1462706675.85254693 Hartree integrate/restrict (24.32757s) started
T25 << 1462706676.18500209 Hartree integrate/restrict (24.66003s) stopped
T25 >> 1462706676.24509597 Atomic (548.81826s) started
T25 >> 1462706676.25968909 XC Correction (389.66791s) started
T25 << 1462706684.37406206 XC Correction (397.78228s) stopped
T25 << 1462706684.85491395 Atomic (557.42808s) stopped
T25 >> 1462706684.85511494 Communicate (113.98972s) started
T25 << 1462706688.58218503 Communicate (117.71679s) stopped
T25 << 1462706688.58221102 Hamiltonian (3136.27594s) stopped
T25 >> 1462706688.58230591 LCAO eigensolver (4888.62826s) started
T25 >> 1462706688.58232093 Potential matrix (167.57326s) started
T25 << 1462706690.83860803 Potential matrix (169.82955s) stopped
T25 >> 1462706690.83870792 DistributedAtomicCorrection (69.88021s) started
T25 << 1462706691.76103997 DistributedAtomicCorrection (70.80255s) stopped
T25 >> 1462706691.76113391 Distribute overlap matrix (365.41223s) started
T25 >> 1462706691.76115894 blocked summation (357.09994s) started
T25 << 1462706696.82351804 blocked summation (362.16230s) stopped
T25 >> 1462706696.83260489 Scalapack redistribute (7.65435s) started
T25 << 1462706696.93482590 Scalapack redistribute (7.75657s) stopped
T25 << 1462706696.93493009 Distribute overlap matrix (370.58603s) stopped
T25 >> 1462706696.93909192 Blacs Orbital Layouts (3945.18438s) started
T25 >> 1462706696.94686007 General diagonalize (3928.24687s) started
T25 << 1462706753.06984305 General diagonalize (3984.36986s) stopped
T25 >> 1462706753.06989193 Redistribute coefs (1.24709s) started
T25 << 1462706753.08561897 Redistribute coefs (1.26281s) stopped
T25 >> 1462706753.08566308 Send coefs to domains (15.07130s) started
T25 << 1462706753.17687392 Send coefs to domains (15.16252s) stopped
T25 << 1462706753.17754412 Blacs Orbital Layouts (4001.42283s) stopped
T25 >> 1462706753.17757392 Calculate projections (340.17246s) started
T25 << 1462706758.04090190 Calculate projections (345.03579s) stopped
T25 << 1462706758.04111791 LCAO eigensolver (4958.08707s) stopped
T25 << 1462706759.23947597 SCF-cycle (9263.83400s) stopped
T25 >> 1462706762.87267900 Force calculation (516.33327s) started
T25 >> 1462706762.87279391 LCAO forces (464.40999s) started
T25 >> 1462706762.87316394 Initial (0.00013s) started
T25 << 1462706762.87317491 Initial (0.00014s) stopped
T25 >> 1462706762.87897396 Get density matrix (215.26189s) started
T25 << 1462706772.23118711 Get density matrix (224.61410s) stopped
T25 >> 1462706772.23123002 Potential (76.55451s) started
T25 << 1462706783.72853208 Potential (88.05181s) stopped
T25 >> 1462706783.72858405 Get density matrix (224.61413s) started
T25 << 1462706810.79052305 Get density matrix (251.67607s) stopped
T25 >> 1462706810.79058290 Prepare TCI loop (14.61092s) started
T25 >> 1462706810.79110098 Get neighbors (13.10066s) started
T25 << 1462706812.97251391 Get neighbors (15.28207s) stopped
T25 >> 1462706812.97287393 broadcast dH (1.50378s) started
T25 << 1462706813.18130493 broadcast dH (1.71221s) stopped
T25 << 1462706813.18134904 Prepare TCI loop (17.00168s) stopped
T25 >> 1462706813.18136692 Not so complicated loop (61.55959s) started
T25 << 1462706823.54736495 Not so complicated loop (71.92559s) stopped
T25 >> 1462706823.66446590 Complicated loop (95.70033s) started
T25 << 1462706839.82757211 Complicated loop (111.86343s) stopped
T25 >> 1462706839.83087492 Wait for sum (0.00062s) started
T25 << 1462706839.83096290 Wait for sum (0.00071s) stopped
T25 << 1462706839.83097696 LCAO forces (541.36817s) stopped
T25 << 1462706849.18531299 Force calculation (602.64590s) stopped
T25 >> 1462706849.20246005 Initialization (803.17811s) started
T25 << 1462706849.20263410 Initialization (803.17828s) stopped
T25 >> 1462706849.20291805 Initialization (803.17830s) started
T25 << 1462706849.20306897 Initialization (803.17845s) stopped
T25 >> 1462706849.20321012 Initialization (803.17846s) started
T25 << 1462706849.20334911 Initialization (803.17860s) stopped
T25 >> 1462706872.70856309 Initialization (803.17862s) started
T25 >> 1462706872.87859797 Basic WFS set positions (0.79768s) started
T25 >> 1462706872.87861896 Redistribute (0.14280s) started
T25 << 1462706872.90038896 Redistribute (0.16457s) stopped
T25 << 1462706873.00558090 Basic WFS set positions (0.92466s) stopped
T25 >> 1462706873.00560999 Basis functions set positions (12.20674s) started
T25 << 1462706875.07889009 Basis functions set positions (14.28002s) stopped
T25 >> 1462706875.08065796 TCI: Calculate S, T, P (160.37743s) started
T25 << 1462706898.78814101 TCI: Calculate S, T, P (184.08491s) stopped
T25 >> 1462706898.78823900 blocked summation (107.01611s) started
T25 << 1462706917.89721489 blocked summation (126.12509s) stopped
T25 >> 1462706917.90669203 Scalapack redistribute (1.97246s) started
T25 << 1462706918.00897598 Scalapack redistribute (2.07475s) stopped
T25 >> 1462706918.00993896 blocked summation (126.12512s) started
T25 << 1462706919.27304697 blocked summation (127.38823s) stopped
T25 >> 1462706919.28197098 Scalapack redistribute (2.07481s) started
T25 << 1462706919.43839002 Scalapack redistribute (2.23123s) stopped
T25 >> 1462706919.44076204 Redistribute (0.42249s) started
T25 << 1462706919.44208598 Redistribute (0.42381s) stopped
T25 >> 1462706921.37791800 Redistribute (0.42383s) started
T25 << 1462706921.37952995 Redistribute (0.42545s) stopped
T25 >> 1462706921.40406799 LCAO WFS Initialize (498.31879s) started
T25 >> 1462706921.40409589 Density initialize from wavefunctions (88.71629s) started
T25 >> 1462706921.40765309 Calculate density matrix (60.70012s) started
T25 << 1462706931.42868090 Calculate density matrix (70.72114s) stopped
T25 >> 1462706931.42873693 Construct density (9.96828s) started
T25 << 1462706933.00584197 Construct density (11.54539s) stopped
T25 >> 1462706933.09274697 Symmetrize density (0.00049s) started
T25 << 1462706933.09280300 Symmetrize density (0.00054s) stopped
T25 << 1462706936.12806702 Density initialize from wavefunctions (103.44026s) stopped
T25 >> 1462706936.12868309 Hamiltonian (408.58215s) started
T25 >> 1462706936.12870193 vbar (0.17448s) started
T25 << 1462706936.15013504 vbar (0.19591s) stopped
T25 >> 1462706936.15022802 XC 3D grid (204.01617s) started
T25 >> 1462706936.63658595 van der Waals (196.99766s) started
T25 >> 1462706936.77304506 semilocal (43.78063s) started
T25 << 1462706943.07461095 semilocal (50.08219s) stopped
T25 >> 1462706943.13984203 redistribute (19.61414s) started
T25 << 1462706944.09522104 redistribute (20.56952s) stopped
T25 >> 1462706944.09528995 libvdwxc nonlocal (132.20371s) started
T25 << 1462706963.15506411 libvdwxc nonlocal (151.26349s) stopped
T25 >> 1462706963.15513611 redistribute (20.56956s) started
T25 << 1462706964.76450396 redistribute (22.17892s) stopped
T25 << 1462706964.76681495 van der Waals (225.12789s) stopped
T25 << 1462706965.25288200 XC 3D grid (233.11882s) stopped
T25 >> 1462706965.25292492 Poisson (120.15990s) started
T25 << 1462706978.06059194 Poisson (132.96756s) stopped
T25 >> 1462706978.06066394 Hartree integrate/restrict (2.77412s) started
T25 << 1462706978.11616898 Hartree integrate/restrict (2.82962s) stopped
T25 >> 1462706978.11623597 Hartree integrate/restrict (2.82967s) started
T25 << 1462706978.42761803 Hartree integrate/restrict (3.14105s) stopped
T25 >> 1462706978.48429394 Atomic (68.88016s) started
T25 >> 1462706978.49903607 XC Correction (47.81099s) started
T25 << 1462706987.58920097 XC Correction (56.90116s) stopped
T25 << 1462706989.05658507 Atomic (79.45245s) stopped
T25 >> 1462706989.05687308 Communicate (12.11150s) started
T25 << 1462706990.41661191 Communicate (13.47124s) stopped
T25 << 1462706990.41663504 Hamiltonian (462.87010s) stopped
T25 << 1462706990.41669297 LCAO WFS Initialize (567.33142s) stopped
T25 << 1462706990.42859411 Initialization (920.89865s) stopped
T25 >> 1462706990.45560408 SCF-cycle (9263.83402s) started
T25 >> 1462706990.45564795 LCAO eigensolver (4958.08709s) started
T25 >> 1462706990.45566106 Potential matrix (169.82961s) started
T25 << 1462706992.79609489 Potential matrix (172.17004s) stopped
T25 >> 1462706992.79618597 DistributedAtomicCorrection (70.80259s) started
T25 << 1462706993.81071305 DistributedAtomicCorrection (71.81711s) stopped
T25 >> 1462706993.81075811 Distribute overlap matrix (370.58604s) started
T25 >> 1462706993.81082797 blocked summation (362.16233s) started
T25 << 1462706999.26478696 blocked summation (367.61629s) stopped
T25 >> 1462706999.27410412 Scalapack redistribute (7.75663s) started
T25 << 1462706999.38059711 Scalapack redistribute (7.86313s) stopped
T25 << 1462706999.38069797 Distribute overlap matrix (376.15598s) stopped
T25 >> 1462706999.38505101 Blacs Orbital Layouts (4001.42285s) started
T25 >> 1462706999.39275408 General diagonalize (3984.36989s) started
T25 << 1462707058.27186108 General diagonalize (4043.24900s) stopped
T25 >> 1462707058.27190709 Redistribute coefs (1.26285s) started
T25 << 1462707058.28819299 Redistribute coefs (1.27913s) stopped
T25 >> 1462707058.28823805 Send coefs to domains (15.16255s) started
T25 << 1462707058.52131391 Send coefs to domains (15.39563s) stopped
T25 << 1462707058.52196789 Blacs Orbital Layouts (4060.55977s) stopped
T25 >> 1462707058.52200294 Calculate projections (345.03585s) started
T25 << 1462707063.46857309 Calculate projections (349.98242s) stopped
T25 << 1462707063.46894693 LCAO eigensolver (5031.10039s) stopped
T25 >> 1462707064.73883390 Density (1067.25619s) started
T25 >> 1462707064.73884702 Pseudo density (868.39811s) started
T25 >> 1462707064.74048209 Calculate density matrix (758.84307s) started
T25 << 1462707077.46563792 Calculate density matrix (771.56823s) stopped
T25 >> 1462707077.46569490 Construct density (106.65261s) started
T25 << 1462707079.04020190 Construct density (108.22711s) stopped
T25 >> 1462707079.13261604 Symmetrize density (0.00491s) started
T25 << 1462707079.13268304 Symmetrize density (0.00497s) stopped
T25 << 1462707079.13531303 Pseudo density (882.79457s) stopped
T25 >> 1462707079.13537598 Atomic density matrices (165.26773s) started
T25 << 1462707081.75900102 Atomic density matrices (167.89136s) stopped
T25 >> 1462707081.75904393 Multipole moments (0.55078s) started
T25 << 1462707081.76784492 Multipole moments (0.55958s) stopped
T25 >> 1462707081.76789594 Normalize (0.53453s) started
T25 << 1462707081.77556992 Normalize (0.54220s) stopped
T25 >> 1462707081.77561498 Mix (32.49902s) started
T25 << 1462707082.19988394 Mix (32.92329s) stopped
T25 << 1462707082.19997501 Density (1084.71733s) stopped
T25 >> 1462707082.20017409 Hamiltonian (3136.27595s) started
T25 >> 1462707082.20019293 vbar (1.81870s) started
T25 << 1462707082.22644997 vbar (1.84495s) stopped
T25 >> 1462707082.22658801 XC 3D grid (1886.19912s) started
T25 >> 1462707082.70981002 van der Waals (1821.37025s) started
T25 >> 1462707082.84080505 semilocal (393.41068s) started
T25 << 1462707088.90946293 semilocal (399.47934s) stopped
T25 >> 1462707088.99560189 redistribute (190.27637s) started
T25 << 1462707090.33518696 redistribute (191.61596s) stopped
T25 >> 1462707090.33522892 libvdwxc nonlocal (1224.43100s) started
T25 << 1462707109.05887008 libvdwxc nonlocal (1243.15464s) stopped
T25 >> 1462707109.05893612 redistribute (191.61599s) started
T25 << 1462707110.99369001 redistribute (193.55075s) stopped
T25 << 1462707110.99585795 van der Waals (1849.65630s) stopped
T25 << 1462707111.47851896 XC 3D grid (1915.45105s) stopped
T25 >> 1462707111.47855902 Poisson (545.07777s) started
T25 << 1462707131.41560292 Poisson (565.01481s) stopped
T25 >> 1462707131.41570306 Hartree integrate/restrict (24.66010s) started
T25 << 1462707131.45347905 Hartree integrate/restrict (24.69788s) stopped
T25 >> 1462707131.45356894 Hartree integrate/restrict (24.69794s) started
T25 << 1462707131.80365896 Hartree integrate/restrict (25.04803s) stopped
T25 >> 1462707131.86062002 Atomic (557.42810s) started
T25 >> 1462707131.87489510 XC Correction (397.78231s) started
T25 << 1462707140.01979709 XC Correction (405.92721s) stopped
T25 << 1462707141.13367009 Atomic (566.70115s) stopped
T25 >> 1462707141.13388610 Communicate (117.71681s) started
T25 << 1462707143.42570496 Communicate (120.00863s) stopped
T25 << 1462707143.42573094 Hamiltonian (3197.50151s) stopped
T25 >> 1462707143.42582011 LCAO eigensolver (5031.10041s) started
T25 >> 1462707143.42583489 Potential matrix (172.17009s) started
T25 << 1462707145.78119802 Potential matrix (174.52546s) stopped
T25 >> 1462707145.78129697 DistributedAtomicCorrection (71.81715s) started
T25 << 1462707146.71124005 DistributedAtomicCorrection (72.74709s) stopped
T25 >> 1462707146.71132994 Distribute overlap matrix (376.15600s) started
T25 >> 1462707146.71135497 blocked summation (367.61632s) started
T25 << 1462707151.98471498 blocked summation (372.88968s) stopped
T25 >> 1462707151.99475098 Scalapack redistribute (7.86318s) started
T25 << 1462707152.12828708 Scalapack redistribute (7.99671s) stopped
T25 << 1462707152.12838197 Distribute overlap matrix (381.57305s) stopped
T25 >> 1462707152.13449693 Blacs Orbital Layouts (4060.55979s) started
T25 >> 1462707152.14357996 General diagonalize (4043.24904s) started
T25 << 1462707208.50225496 General diagonalize (4099.60771s) stopped
T25 >> 1462707208.50230503 Redistribute coefs (1.27917s) started
T25 << 1462707208.51897502 Redistribute coefs (1.29584s) stopped
T25 >> 1462707208.51901793 Send coefs to domains (15.39566s) started
T25 << 1462707208.60862303 Send coefs to domains (15.48527s) stopped
T25 << 1462707208.60922003 Blacs Orbital Layouts (4117.03451s) stopped
T25 >> 1462707208.60924911 Calculate projections (349.98247s) started
T25 << 1462707213.54056907 Calculate projections (354.91379s) stopped
T25 << 1462707213.54093504 LCAO eigensolver (5101.21552s) stopped
T25 >> 1462707214.85702610 Density (1084.71734s) started
T25 >> 1462707214.85704207 Pseudo density (882.79463s) started
T25 >> 1462707214.85835910 Calculate density matrix (771.56826s) started
T25 << 1462707227.56057310 Calculate density matrix (784.27048s) stopped
T25 >> 1462707227.56063390 Construct density (108.22717s) started
T25 << 1462707229.14148498 Construct density (109.80802s) stopped
T25 >> 1462707229.15462303 Symmetrize density (0.00499s) started
T25 << 1462707229.15468097 Symmetrize density (0.00505s) stopped
T25 << 1462707229.15676093 Pseudo density (897.09435s) stopped
T25 >> 1462707229.15681791 Atomic density matrices (167.89138s) started
T25 << 1462707231.84670305 Atomic density matrices (170.58127s) stopped
T25 >> 1462707231.84674501 Multipole moments (0.55960s) started
T25 << 1462707231.85556889 Multipole moments (0.56843s) stopped
T25 >> 1462707231.85561991 Normalize (0.54223s) started
T25 << 1462707231.86235595 Normalize (0.54897s) stopped
T25 >> 1462707231.86242604 Mix (32.92338s) started
T25 << 1462707232.33046699 Mix (33.39142s) stopped
T25 << 1462707232.33055305 Density (1102.19087s) stopped
T25 >> 1462707232.33077598 Hamiltonian (3197.50152s) started
T25 >> 1462707232.33079600 vbar (1.84503s) started
T25 << 1462707232.37230110 vbar (1.88653s) stopped
T25 >> 1462707232.37245607 XC 3D grid (1915.45108s) started
T25 >> 1462707232.88372397 van der Waals (1849.65636s) started
T25 >> 1462707233.01386690 semilocal (399.47946s) started
T25 << 1462707239.24498105 semilocal (405.71058s) stopped
T25 >> 1462707239.33529401 redistribute (193.55081s) started
T25 << 1462707240.78519297 redistribute (195.00071s) stopped
T25 >> 1462707240.78523707 libvdwxc nonlocal (1243.15469s) started
T25 << 1462707259.93010592 libvdwxc nonlocal (1262.29956s) stopped
T25 >> 1462707259.93016911 redistribute (195.00075s) started
T25 << 1462707261.57931399 redistribute (196.64989s) stopped
T25 << 1462707261.58133888 van der Waals (1878.35397s) stopped
T25 << 1462707262.06234503 XC 3D grid (1945.14097s) stopped
T25 >> 1462707262.06239200 Poisson (565.01489s) started
T25 << 1462707274.96794605 Poisson (577.92045s) stopped
T25 >> 1462707274.96801209 Hartree integrate/restrict (25.04806s) started
T25 << 1462707275.02251911 Hartree integrate/restrict (25.10257s) stopped
T25 >> 1462707275.02257895 Hartree integrate/restrict (25.10261s) started
T25 << 1462707275.34349489 Hartree integrate/restrict (25.42352s) stopped
T25 >> 1462707275.40478897 Atomic (566.70117s) started
T25 >> 1462707275.41884995 XC Correction (405.92723s) started
T25 << 1462707283.57510805 XC Correction (414.08349s) stopped
T25 << 1462707284.71182799 Atomic (576.00820s) stopped
T25 >> 1462707284.71204591 Communicate (120.00865s) started
T25 << 1462707286.79529190 Communicate (122.09189s) stopped
T25 << 1462707286.79531789 Hamiltonian (3251.96606s) stopped
T25 >> 1462707286.79540396 LCAO eigensolver (5101.21554s) started
T25 >> 1462707286.79541898 Potential matrix (174.52551s) started
T25 << 1462707289.12227702 Potential matrix (176.85237s) stopped
T25 >> 1462707289.12236595 DistributedAtomicCorrection (72.74713s) started
T25 << 1462707290.08693290 DistributedAtomicCorrection (73.71170s) stopped
T25 >> 1462707290.08702707 Distribute overlap matrix (381.57307s) started
T25 >> 1462707290.08705091 blocked summation (372.88972s) started
T25 << 1462707295.30640101 blocked summation (378.10907s) stopped
T25 >> 1462707295.31573296 Scalapack redistribute (7.99678s) started
T25 << 1462707295.41713595 Scalapack redistribute (8.09818s) stopped
T25 << 1462707295.41722608 Distribute overlap matrix (386.90327s) stopped
T25 >> 1462707295.42445302 Blacs Orbital Layouts (4117.03453s) started
T25 >> 1462707295.43264198 General diagonalize (4099.60775s) started
T25 << 1462707352.47631788 General diagonalize (4156.65143s) stopped
T25 >> 1462707352.47636509 Redistribute coefs (1.29587s) started
T25 << 1462707352.50635195 Redistribute coefs (1.32586s) stopped
T25 >> 1462707352.50639296 Send coefs to domains (15.48530s) started
T25 << 1462707352.99772406 Send coefs to domains (15.97663s) stopped
T25 << 1462707352.99822903 Blacs Orbital Layouts (4174.60831s) stopped
T25 >> 1462707352.99826002 Calculate projections (354.91384s) started
T25 << 1462707357.92656207 Calculate projections (359.84214s) stopped
T25 << 1462707357.92674708 LCAO eigensolver (5172.34688s) stopped
T25 >> 1462707359.20745897 Density (1102.19089s) started
T25 >> 1462707359.20747495 Pseudo density (897.09439s) started
T25 >> 1462707359.20877910 Calculate density matrix (784.27052s) started
T25 << 1462707371.94345188 Calculate density matrix (797.00519s) stopped
T25 >> 1462707371.94351411 Construct density (109.80807s) started
T25 << 1462707373.52397990 Construct density (111.38854s) stopped
T25 >> 1462707373.53776193 Symmetrize density (0.00507s) started
T25 << 1462707373.53782892 Symmetrize density (0.00514s) stopped
T25 << 1462707373.53990006 Pseudo density (911.42682s) stopped
T25 >> 1462707373.53995609 Atomic density matrices (170.58129s) started
T25 << 1462707376.21253896 Atomic density matrices (173.25388s) stopped
T25 >> 1462707376.21258211 Multipole moments (0.56844s) started
T25 << 1462707376.22130489 Multipole moments (0.57717s) stopped
T25 >> 1462707376.22135592 Normalize (0.54902s) started
T25 << 1462707376.22805190 Normalize (0.55572s) stopped
T25 >> 1462707376.22812104 Mix (33.39150s) started
T25 << 1462707376.73077703 Mix (33.89416s) stopped
T25 << 1462707376.73082900 Density (1119.71426s) stopped
T25 >> 1462707376.73100495 Hamiltonian (3251.96608s) started
T25 >> 1462707376.73103595 vbar (1.88662s) started
T25 << 1462707376.75855207 vbar (1.91414s) stopped
T25 >> 1462707376.75864506 XC 3D grid (1945.14101s) started
T25 >> 1462707377.26211810 van der Waals (1878.35408s) started
T25 >> 1462707377.39335489 semilocal (405.71070s) started
T25 << 1462707383.72953010 semilocal (412.04688s) stopped
T25 >> 1462707383.80276608 redistribute (196.64997s) started
T25 << 1462707385.44679904 redistribute (198.29400s) stopped
T25 >> 1462707385.44684291 libvdwxc nonlocal (1262.29961s) started
T25 << 1462707405.27489305 libvdwxc nonlocal (1282.12766s) stopped
T25 >> 1462707405.27495289 redistribute (198.29403s) started
T25 << 1462707407.19377995 redistribute (200.21286s) stopped
T25 << 1462707407.19626689 van der Waals (1908.28823s) stopped
T25 << 1462707407.67632008 XC 3D grid (1976.05868s) stopped
T25 >> 1462707407.67636299 Poisson (577.92050s) started
T25 << 1462707426.33766603 Poisson (596.58180s) stopped
T25 >> 1462707426.33775592 Hartree integrate/restrict (25.42356s) started
T25 << 1462707426.38613510 Hartree integrate/restrict (25.47194s) stopped
T25 >> 1462707426.38618302 Hartree integrate/restrict (25.47197s) started
T25 << 1462707426.74191689 Hartree integrate/restrict (25.82771s) stopped
T25 >> 1462707426.80159712 Atomic (576.00822s) started
T25 >> 1462707426.81574893 XC Correction (414.08351s) started
T25 << 1462707434.98871589 XC Correction (422.25648s) stopped
T25 << 1462707435.61477208 Atomic (584.82140s) stopped
T25 >> 1462707435.61496806 Communicate (122.09191s) started
T25 << 1462707438.05392194 Communicate (124.53086s) stopped
T25 << 1462707438.05394697 Hamiltonian (3313.28902s) stopped
T25 >> 1462707438.05403209 LCAO eigensolver (5172.34690s) started
T25 >> 1462707438.05404711 Potential matrix (176.85242s) started
T25 << 1462707440.38872409 Potential matrix (179.18710s) stopped
T25 >> 1462707440.38881111 DistributedAtomicCorrection (73.71174s) started
T25 << 1462707441.33846998 DistributedAtomicCorrection (74.66140s) stopped
T25 >> 1462707441.33855796 Distribute overlap matrix (386.90328s) started
T25 >> 1462707441.33858204 blocked summation (378.10912s) started
T25 << 1462707446.70885491 blocked summation (383.47939s) stopped
T25 >> 1462707446.71833992 Scalapack redistribute (8.09825s) started
T25 << 1462707446.83688498 Scalapack redistribute (8.21679s) stopped
T25 << 1462707446.83696890 Distribute overlap matrix (392.40169s) stopped
T25 >> 1462707446.84486604 Blacs Orbital Layouts (4174.60833s) started
T25 >> 1462707446.85385489 General diagonalize (4156.65147s) started
T25 << 1462707503.07303500 General diagonalize (4212.87065s) stopped
T25 >> 1462707503.07308102 Redistribute coefs (1.32589s) started
T25 << 1462707503.08984399 Redistribute coefs (1.34265s) stopped
T25 >> 1462707503.08988810 Send coefs to domains (15.97668s) started
T25 << 1462707503.18001390 Send coefs to domains (16.06680s) stopped
T25 << 1462707503.18042707 Blacs Orbital Layouts (4230.94389s) stopped
T25 >> 1462707503.18045592 Calculate projections (359.84219s) started
T25 << 1462707508.10990500 Calculate projections (364.77164s) stopped
T25 << 1462707508.11009002 LCAO eigensolver (5242.40296s) stopped
T25 >> 1462707509.42400789 Density (1119.71427s) started
T25 >> 1462707509.42402792 Pseudo density (911.42686s) started
T25 >> 1462707509.42533708 Calculate density matrix (797.00524s) started
T25 << 1462707522.20171809 Calculate density matrix (809.78162s) stopped
T25 >> 1462707522.20178103 Construct density (111.38860s) started
T25 << 1462707523.78300405 Construct density (112.96982s) stopped
T25 >> 1462707523.81789804 Symmetrize density (0.00516s) started
T25 << 1462707523.81796193 Symmetrize density (0.00522s) stopped
T25 << 1462707523.82002592 Pseudo density (925.82286s) stopped
T25 >> 1462707523.82007909 Atomic density matrices (173.25390s) started
T25 << 1462707526.49547100 Atomic density matrices (175.92930s) stopped
T25 >> 1462707526.49551392 Multipole moments (0.57719s) started
T25 << 1462707526.50441694 Multipole moments (0.58609s) stopped
T25 >> 1462707526.50446796 Normalize (0.55577s) started
T25 << 1462707526.51136303 Normalize (0.56266s) stopped
T25 >> 1462707526.51146507 Mix (33.89421s) started
T25 << 1462707527.04040599 Mix (34.42315s) stopped
T25 << 1462707527.04049397 Density (1137.33076s) stopped
T25 >> 1462707527.04069996 Hamiltonian (3313.28903s) started
T25 >> 1462707527.04072189 vbar (1.91418s) started
T25 << 1462707527.06565690 vbar (1.93912s) stopped
T25 >> 1462707527.06575489 XC 3D grid (1976.05872s) started
T25 >> 1462707527.56419301 van der Waals (1908.28829s) started
T25 >> 1462707527.69315410 semilocal (412.04696s) started
T25 << 1462707534.03386688 semilocal (418.38768s) stopped
T25 >> 1462707534.12440705 redistribute (200.21292s) started
T25 << 1462707536.01535392 redistribute (202.10387s) stopped
T25 >> 1462707536.01539993 libvdwxc nonlocal (1282.12770s) started
T25 << 1462707555.32762694 libvdwxc nonlocal (1301.43993s) stopped
T25 >> 1462707555.32769394 redistribute (202.10391s) started
T25 << 1462707557.12440395 redistribute (203.90062s) stopped
T25 << 1462707557.12659788 van der Waals (1937.85070s) stopped
T25 << 1462707557.60570598 XC 3D grid (2006.59867s) stopped
T25 >> 1462707557.60575199 Poisson (596.58187s) started
T25 << 1462707570.49984598 Poisson (609.47596s) stopped
T25 >> 1462707570.49991488 Hartree integrate/restrict (25.82774s) started
T25 << 1462707570.55585098 Hartree integrate/restrict (25.88368s) stopped
T25 >> 1462707570.55591106 Hartree integrate/restrict (25.88371s) started
T25 << 1462707570.88346291 Hartree integrate/restrict (26.21127s) stopped
T25 >> 1462707570.94380307 Atomic (584.82142s) started
T25 >> 1462707570.95793700 XC Correction (422.25650s) started
T25 << 1462707578.71422291 XC Correction (430.01278s) stopped
T25 << 1462707579.64207006 Atomic (593.51969s) stopped
T25 >> 1462707579.64227700 Communicate (124.53088s) started
T25 << 1462707582.26270199 Communicate (127.15130s) stopped
T25 << 1462707582.26272798 Hamiltonian (3368.51106s) stopped
T25 >> 1462707582.26281905 LCAO eigensolver (5242.40297s) started
T25 >> 1462707582.26283407 Potential matrix (179.18715s) started
T25 << 1462707584.60279989 Potential matrix (181.52711s) stopped
T25 >> 1462707584.60289097 DistributedAtomicCorrection (74.66143s) started
T25 << 1462707585.58261609 DistributedAtomicCorrection (75.64116s) stopped
T25 >> 1462707585.58265996 Distribute overlap matrix (392.40170s) started
T25 >> 1462707585.58273196 blocked summation (383.47943s) started
T25 << 1462707590.86194706 blocked summation (388.75864s) stopped
T25 >> 1462707590.87148905 Scalapack redistribute (8.21683s) started
T25 << 1462707590.98764896 Scalapack redistribute (8.33299s) stopped
T25 << 1462707590.98773408 Distribute overlap matrix (397.80678s) stopped
T25 >> 1462707590.99377894 Blacs Orbital Layouts (4230.94391s) started
T25 >> 1462707591.00286007 General diagonalize (4212.87068s) started
T25 << 1462707644.92786694 General diagonalize (4266.79569s) stopped
T25 >> 1462707644.92791390 Redistribute coefs (1.34269s) started
T25 << 1462707644.94439101 Redistribute coefs (1.35916s) stopped
T25 >> 1462707644.94443798 Send coefs to domains (16.06685s) started
T25 << 1462707645.03765297 Send coefs to domains (16.16006s) stopped
T25 << 1462707645.03814602 Blacs Orbital Layouts (4284.98827s) stopped
T25 >> 1462707645.03820705 Calculate projections (364.77169s) started
T25 << 1462707649.96730900 Calculate projections (369.70079s) stopped
T25 << 1462707649.96763396 LCAO eigensolver (5310.10779s) stopped
T25 >> 1462707651.27381110 Density (1137.33078s) started
T25 >> 1462707651.27382588 Pseudo density (925.82290s) started
T25 >> 1462707651.27513409 Calculate density matrix (809.78167s) started
T25 << 1462707664.01131392 Calculate density matrix (822.51785s) stopped
T25 >> 1462707664.01137400 Construct density (112.96987s) started
T25 << 1462707665.59400892 Construct density (114.55251s) stopped
T25 >> 1462707665.63965011 Symmetrize density (0.00524s) started
T25 << 1462707665.63971305 Symmetrize density (0.00530s) stopped
T25 << 1462707665.64177990 Pseudo density (940.19086s) stopped
T25 >> 1462707665.64183593 Atomic density matrices (175.92932s) started
T25 << 1462707668.31753612 Atomic density matrices (178.60502s) stopped
T25 >> 1462707668.31757903 Multipole moments (0.58611s) started
T25 << 1462707668.32604694 Multipole moments (0.59458s) stopped
T25 >> 1462707668.32609701 Normalize (0.56274s) started
T25 << 1462707668.33294106 Normalize (0.56959s) stopped
T25 >> 1462707668.33301592 Mix (34.42323s) started
T25 << 1462707668.85274291 Mix (34.94296s) stopped
T25 << 1462707668.85284996 Density (1154.90982s) stopped
T25 >> 1462707668.85307789 Hamiltonian (3368.51107s) started
T25 >> 1462707668.85309792 vbar (1.93917s) started
T25 << 1462707668.88000989 vbar (1.96608s) stopped
T25 >> 1462707668.88014793 XC 3D grid (2006.59870s) started
T25 >> 1462707669.38589501 van der Waals (1937.85075s) started
T25 >> 1462707669.51692390 semilocal (418.38780s) started
T25 << 1462707675.96466708 semilocal (424.83554s) stopped
T25 >> 1462707676.05467200 redistribute (203.90068s) started
T25 << 1462707678.17652106 redistribute (206.02253s) stopped
T25 >> 1462707678.17656708 libvdwxc nonlocal (1301.43998s) started
T25 << 1462707697.27827811 libvdwxc nonlocal (1320.54169s) stopped
T25 >> 1462707697.27833796 redistribute (206.02256s) started
T25 << 1462707698.95510006 redistribute (207.69933s) stopped
T25 << 1462707698.95727491 van der Waals (1967.42213s) stopped
T25 << 1462707699.43699002 XC 3D grid (2037.15555s) stopped
T25 >> 1462707699.43703699 Poisson (609.47601s) started
T25 << 1462707709.42471409 Poisson (619.46369s) stopped
T25 >> 1462707709.42477703 Hartree integrate/restrict (26.21130s) started
T25 << 1462707709.48091793 Hartree integrate/restrict (26.26744s) stopped
T25 >> 1462707709.48096800 Hartree integrate/restrict (26.26748s) started
T25 << 1462707709.80529308 Hartree integrate/restrict (26.59180s) stopped
T25 >> 1462707709.86408401 Atomic (593.51971s) started
T25 >> 1462707709.87829494 XC Correction (430.01280s) started
T25 << 1462707717.54457903 XC Correction (437.67909s) stopped
T25 << 1462707718.46892500 Atomic (602.12455s) stopped
T25 >> 1462707718.46914601 Communicate (127.15132s) started
T25 << 1462707720.84844995 Communicate (129.53062s) stopped
T25 << 1462707720.84847498 Hamiltonian (3420.50647s) stopped
T25 >> 1462707720.84856606 LCAO eigensolver (5310.10781s) started
T25 >> 1462707720.84857988 Potential matrix (181.52717s) started
T25 << 1462707723.18299198 Potential matrix (183.86158s) stopped
T25 >> 1462707723.18308496 DistributedAtomicCorrection (75.64119s) started
T25 << 1462707724.14433098 DistributedAtomicCorrection (76.60244s) stopped
T25 >> 1462707724.14437389 Distribute overlap matrix (397.80679s) started
T25 >> 1462707724.14441895 blocked summation (388.75868s) started
T25 << 1462707729.40006804 blocked summation (394.01432s) stopped
T25 >> 1462707729.41015601 Scalapack redistribute (8.33306s) started
T25 << 1462707729.51757908 Scalapack redistribute (8.44048s) stopped
T25 << 1462707729.51766706 Distribute overlap matrix (403.18008s) stopped
T25 >> 1462707729.52382302 Blacs Orbital Layouts (4284.98833s) started
T25 >> 1462707729.53222299 General diagonalize (4266.79573s) started
T25 << 1462707785.74560809 General diagonalize (4323.00911s) stopped
T25 >> 1462707785.74567699 Redistribute coefs (1.35920s) started
T25 << 1462707785.77703190 Redistribute coefs (1.39056s) stopped
T25 >> 1462707785.77707100 Send coefs to domains (16.16010s) started
T25 << 1462707786.04108000 Send coefs to domains (16.42411s) stopped
T25 << 1462707786.04166293 Blacs Orbital Layouts (4341.50617s) stopped
T25 >> 1462707786.04169297 Calculate projections (369.70084s) started
T25 << 1462707790.99500203 Calculate projections (374.65415s) stopped
T25 << 1462707790.99536800 LCAO eigensolver (5380.25461s) stopped
T25 >> 1462707792.24331188 Density (1154.90984s) started
T25 >> 1462707792.24332690 Pseudo density (940.19090s) started
T25 >> 1462707792.24501300 Calculate density matrix (822.51788s) started
T25 << 1462707805.00495291 Calculate density matrix (835.27782s) stopped
T25 >> 1462707805.00500989 Construct density (114.55256s) started
T25 << 1462707806.58679509 Construct density (116.13435s) stopped
T25 >> 1462707806.66432905 Symmetrize density (0.00532s) started
T25 << 1462707806.66439605 Symmetrize density (0.00539s) stopped
T25 << 1462707806.66673303 Pseudo density (954.61431s) stopped
T25 >> 1462707806.66679192 Atomic density matrices (178.60505s) started
T25 << 1462707809.28965712 Atomic density matrices (181.22791s) stopped
T25 >> 1462707809.28970003 Multipole moments (0.59459s) started
T25 << 1462707809.29955912 Multipole moments (0.60445s) stopped
T25 >> 1462707809.29960990 Normalize (0.56964s) started
T25 << 1462707809.30831599 Normalize (0.57835s) stopped
T25 >> 1462707809.30839205 Mix (34.94306s) started
T25 << 1462707809.82982111 Mix (35.46449s) stopped
T25 << 1462707809.82992506 Density (1172.49645s) stopped
T25 >> 1462707809.83015609 Hamiltonian (3420.50648s) started
T25 >> 1462707809.83017802 vbar (1.96617s) started
T25 << 1462707809.86158204 vbar (1.99757s) stopped
T25 >> 1462707809.86173201 XC 3D grid (2037.15558s) started
T25 >> 1462707810.35430598 van der Waals (1967.42225s) started
T25 >> 1462707810.48702192 semilocal (424.83566s) started
T25 << 1462707817.38223100 semilocal (431.73087s) stopped
T25 >> 1462707817.44726706 redistribute (207.69938s) started
T25 << 1462707819.45254803 redistribute (209.70467s) stopped
T25 >> 1462707819.45258999 libvdwxc nonlocal (1320.54173s) started
T25 << 1462707838.13910508 libvdwxc nonlocal (1339.22825s) stopped
T25 >> 1462707838.13916111 redistribute (209.70470s) started
T25 << 1462707840.82976294 redistribute (212.39530s) stopped
T25 << 1462707840.83194399 van der Waals (1997.89989s) stopped
T25 << 1462707841.31193805 XC 3D grid (2068.60579s) stopped
T25 >> 1462707841.31200290 Poisson (619.46374s) started
T25 << 1462707848.45116711 Poisson (626.60290s) stopped
T25 >> 1462707848.45129991 Hartree integrate/restrict (26.59186s) started
T25 << 1462707848.49318695 Hartree integrate/restrict (26.63375s) stopped
T25 >> 1462707848.49335408 Hartree integrate/restrict (26.63386s) started
T25 << 1462707848.83396792 Hartree integrate/restrict (26.97447s) stopped
T25 >> 1462707848.89293504 Atomic (602.12457s) started
T25 >> 1462707848.90718007 XC Correction (437.67911s) started
T25 << 1462707856.51305699 XC Correction (445.28499s) stopped
T25 << 1462707857.36716509 Atomic (610.59880s) stopped
T25 >> 1462707857.36737394 Communicate (129.53064s) started
T25 << 1462707859.95112109 Communicate (132.11439s) stopped
T25 << 1462707859.95114708 Hamiltonian (3470.62747s) stopped
T25 >> 1462707859.95123911 LCAO eigensolver (5380.25463s) started
T25 >> 1462707859.95125389 Potential matrix (183.86163s) started
T25 << 1462707862.29386997 Potential matrix (186.20425s) stopped
T25 >> 1462707862.29397106 DistributedAtomicCorrection (76.60247s) started
T25 << 1462707863.25389600 DistributedAtomicCorrection (77.56240s) stopped
T25 >> 1462707863.25399494 Distribute overlap matrix (403.18010s) started
T25 >> 1462707863.25402498 blocked summation (394.01436s) started
T25 << 1462707868.45292401 blocked summation (399.21326s) stopped
T25 >> 1462707868.46211600 Scalapack redistribute (8.44054s) started
T25 << 1462707868.61082602 Scalapack redistribute (8.58925s) stopped
T25 << 1462707868.61093712 Distribute overlap matrix (408.53704s) stopped
T25 >> 1462707868.61873698 Blacs Orbital Layouts (4341.50619s) started
T25 >> 1462707868.62758398 General diagonalize (4323.00917s) started
T25 << 1462707924.85330606 General diagonalize (4379.23489s) stopped
T25 >> 1462707924.85335398 Redistribute coefs (1.39059s) started
T25 << 1462707924.88612008 Redistribute coefs (1.42335s) stopped
T25 >> 1462707924.88615894 Send coefs to domains (16.42415s) started
T25 << 1462707925.04484797 Send coefs to domains (16.58284s) stopped
T25 << 1462707925.04537010 Blacs Orbital Layouts (4397.93282s) stopped
T25 >> 1462707925.04539895 Calculate projections (374.65421s) started
T25 << 1462707929.97949910 Calculate projections (379.58831s) stopped
T25 << 1462707929.97986603 LCAO eigensolver (5450.28325s) stopped
T25 >> 1462707931.31289697 Density (1172.49647s) started
T25 >> 1462707931.31291199 Pseudo density (954.61435s) started
T25 >> 1462707931.31410503 Calculate density matrix (835.27786s) started
T25 << 1462707944.01567888 Calculate density matrix (847.97943s) stopped
T25 >> 1462707944.01574206 Construct density (116.13441s) started
T25 << 1462707945.58676004 Construct density (117.70543s) stopped
T25 >> 1462707945.59907389 Symmetrize density (0.00541s) started
T25 << 1462707945.59914088 Symmetrize density (0.00547s) stopped
T25 << 1462707945.60121608 Pseudo density (968.90266s) stopped
T25 >> 1462707945.60127091 Atomic density matrices (181.22794s) started
T25 << 1462707948.27781105 Atomic density matrices (183.90448s) stopped
T25 >> 1462707948.27785397 Multipole moments (0.60447s) started
T25 << 1462707948.28723311 Multipole moments (0.61385s) stopped
T25 >> 1462707948.28728294 Normalize (0.57840s) started
T25 << 1462707948.29394102 Normalize (0.58506s) stopped
T25 >> 1462707948.29400897 Mix (35.46459s) started
T25 << 1462707948.93579102 Mix (36.10638s) stopped
T25 << 1462707948.93585992 Density (1190.11943s) stopped
T25 >> 1462707948.93600297 Hamiltonian (3470.62749s) started
T25 >> 1462707948.93602109 vbar (1.99765s) started
T25 << 1462707948.95554900 vbar (2.01718s) stopped
T25 >> 1462707948.95565391 XC 3D grid (2068.60584s) started
T25 >> 1462707949.45296788 van der Waals (1997.90000s) started
T25 >> 1462707949.59003091 semilocal (431.73096s) started
T25 << 1462707956.41362691 semilocal (438.55456s) stopped
T25 >> 1462707956.48689103 redistribute (212.39541s) started
T25 << 1462707958.94974804 redistribute (214.85827s) stopped
T25 >> 1462707958.94979000 libvdwxc nonlocal (1339.22829s) started
T25 << 1462707977.48481202 libvdwxc nonlocal (1357.76331s) stopped
T25 >> 1462707977.48487306 redistribute (214.85830s) started
T25 << 1462707980.16590309 redistribute (217.53933s) stopped
T25 << 1462707980.16815495 van der Waals (2028.61519s) stopped
T25 << 1462707980.64822602 XC 3D grid (2100.29841s) stopped
T25 >> 1462707980.64826894 Poisson (626.60301s) started
T25 << 1462707984.97077990 Poisson (630.92552s) stopped
T25 >> 1462707984.97087097 Hartree integrate/restrict (26.97450s) started
T25 << 1462707985.01319289 Hartree integrate/restrict (27.01683s) stopped
T25 >> 1462707985.01334095 Hartree integrate/restrict (27.01694s) started
T25 << 1462707985.34549403 Hartree integrate/restrict (27.34909s) stopped
T25 >> 1462707985.40159988 Atomic (610.59882s) started
T25 >> 1462707985.41605592 XC Correction (445.28501s) started
T25 << 1462707993.04572606 XC Correction (452.91468s) stopped
T25 << 1462707993.92190504 Atomic (619.11912s) stopped
T25 >> 1462707993.92212510 Communicate (132.11440s) started
T25 << 1462707996.51025796 Communicate (134.70254s) stopped
T25 << 1462707996.51028490 Hamiltonian (3518.20177s) stopped
T25 >> 1462707996.51039100 LCAO eigensolver (5450.28327s) started
T25 >> 1462707996.51040697 Potential matrix (186.20431s) started
T25 << 1462707998.84743690 Potential matrix (188.54134s) stopped
T25 >> 1462707998.84753704 DistributedAtomicCorrection (77.56244s) started
T25 << 1462707999.83678198 DistributedAtomicCorrection (78.55168s) stopped
T25 >> 1462707999.83687997 Distribute overlap matrix (408.53710s) started
T25 >> 1462707999.83690596 blocked summation (399.21329s) started
T25 << 1462708005.03155303 blocked summation (404.40794s) stopped
T25 >> 1462708005.04172707 Scalapack redistribute (8.58933s) started
T25 << 1462708005.15583992 Scalapack redistribute (8.70345s) stopped
T25 << 1462708005.15592289 Distribute overlap matrix (413.85614s) stopped
T25 >> 1462708005.16087294 Blacs Orbital Layouts (4397.93284s) started
T25 >> 1462708005.16937995 General diagonalize (4379.23493s) started
T25 << 1462708059.82290196 General diagonalize (4433.88845s) stopped
T25 >> 1462708059.82294703 Redistribute coefs (1.42338s) started
T25 << 1462708059.84873700 Redistribute coefs (1.44917s) stopped
T25 >> 1462708059.84877491 Send coefs to domains (16.58289s) started
T25 << 1462708060.06878901 Send coefs to domains (16.80290s) stopped
T25 << 1462708060.06916308 Blacs Orbital Layouts (4452.84113s) stopped
T25 >> 1462708060.06919098 Calculate projections (379.58836s) started
T25 << 1462708065.03776193 Calculate projections (384.55693s) stopped
T25 << 1462708065.03808188 LCAO eigensolver (5518.81096s) stopped
T25 >> 1462708066.25696492 Density (1190.11944s) started
T25 >> 1462708066.25698090 Pseudo density (968.90270s) started
T25 >> 1462708066.25869608 Calculate density matrix (847.97947s) started
T25 << 1462708079.06577802 Calculate density matrix (860.78655s) stopped
T25 >> 1462708079.06583595 Construct density (117.70548s) started
T25 << 1462708080.65269589 Construct density (119.29234s) stopped
T25 >> 1462708080.66603589 Symmetrize density (0.00549s) started
T25 << 1462708080.66610599 Symmetrize density (0.00556s) stopped
T25 << 1462708080.66847301 Pseudo density (983.31419s) stopped
T25 >> 1462708080.66853499 Atomic density matrices (183.90451s) started
T25 << 1462708083.32651711 Atomic density matrices (186.56249s) stopped
T25 >> 1462708083.32656002 Multipole moments (0.61387s) started
T25 << 1462708083.33610892 Multipole moments (0.62341s) stopped
T25 >> 1462708083.33615994 Normalize (0.58511s) started
T25 << 1462708083.34499097 Normalize (0.59395s) stopped
T25 >> 1462708083.34507298 Mix (36.10644s) started
T25 << 1462708083.86270189 Mix (36.62407s) stopped
T25 << 1462708083.86279702 Density (1207.72528s) stopped
T25 >> 1462708083.86297894 Hamiltonian (3518.20178s) started
T25 >> 1462708083.86300611 vbar (2.01724s) started
T25 << 1462708083.88837790 vbar (2.04261s) stopped
T25 >> 1462708083.88852692 XC 3D grid (2100.29845s) started
T25 >> 1462708084.37633300 van der Waals (2028.61524s) started
T25 >> 1462708084.51479912 semilocal (438.55465s) started
T25 << 1462708091.42654109 semilocal (445.46639s) stopped
T25 >> 1462708091.50394607 redistribute (217.53939s) started
T25 << 1462708093.67430997 redistribute (219.70975s) stopped
T25 >> 1462708093.67435288 libvdwxc nonlocal (1357.76336s) started
T25 << 1462708112.81816602 libvdwxc nonlocal (1376.90717s) stopped
T25 >> 1462708112.81823802 redistribute (219.70979s) started
T25 << 1462708114.86513209 redistribute (221.75668s) stopped
T25 << 1462708114.86725497 van der Waals (2059.10617s) stopped
T25 << 1462708115.34773803 XC 3D grid (2131.75766s) stopped
T25 >> 1462708115.34778810 Poisson (630.92559s) started
T25 << 1462708119.66505504 Poisson (635.24286s) stopped
T25 >> 1462708119.66512394 Hartree integrate/restrict (27.34914s) started
T25 << 1462708119.70764089 Hartree integrate/restrict (27.39166s) stopped
T25 >> 1462708119.70774198 Hartree integrate/restrict (27.39173s) started
T25 << 1462708120.05453801 Hartree integrate/restrict (27.73852s) stopped
T25 >> 1462708120.11534691 Atomic (619.11914s) started
T25 >> 1462708120.12959909 XC Correction (452.91471s) started
T25 << 1462708127.69962406 XC Correction (460.48473s) stopped
T25 << 1462708128.60039210 Atomic (627.60419s) stopped
T25 >> 1462708128.60059595 Communicate (134.70255s) started
T25 << 1462708131.22230792 Communicate (137.32427s) stopped
T25 << 1462708131.22233391 Hamiltonian (3565.56114s) stopped
T25 >> 1462708131.22242498 LCAO eigensolver (5518.81098s) started
T25 >> 1462708131.22244000 Potential matrix (188.54139s) started
T25 << 1462708133.55936098 Potential matrix (190.87832s) stopped
T25 >> 1462708133.55949092 DistributedAtomicCorrection (78.55173s) started
T25 << 1462708134.51601100 DistributedAtomicCorrection (79.50825s) stopped
T25 >> 1462708134.51610899 Distribute overlap matrix (413.85616s) started
T25 >> 1462708134.51613593 blocked summation (404.40797s) started
T25 << 1462708139.78091097 blocked summation (409.67274s) stopped
T25 >> 1462708139.79074693 Scalapack redistribute (8.70351s) started
T25 << 1462708139.90360594 Scalapack redistribute (8.81637s) stopped
T25 << 1462708139.90370607 Distribute overlap matrix (419.24375s) stopped
T25 >> 1462708139.90840411 Blacs Orbital Layouts (4452.84115s) started
T25 >> 1462708139.91655803 General diagonalize (4433.88849s) started
T25 << 1462708196.16897607 General diagonalize (4490.14091s) stopped
T25 >> 1462708196.16903090 Redistribute coefs (1.44920s) started
T25 << 1462708196.18561101 Redistribute coefs (1.46578s) stopped
T25 >> 1462708196.18565893 Send coefs to domains (16.80294s) started
T25 << 1462708196.31712294 Send coefs to domains (16.93440s) stopped
T25 << 1462708196.31756210 Blacs Orbital Layouts (4509.25031s) stopped
T25 >> 1462708196.31759000 Calculate projections (384.55699s) started
T25 << 1462708201.29042912 Calculate projections (389.52983s) stopped
T25 << 1462708201.29074597 LCAO eigensolver (5588.87930s) stopped
T25 >> 1462708202.52379799 Density (1207.72529s) started
T25 >> 1462708202.52381396 Pseudo density (983.31424s) started
T25 >> 1462708202.52565289 Calculate density matrix (860.78659s) started
T25 << 1462708215.22950292 Calculate density matrix (873.49044s) stopped
T25 >> 1462708215.22955990 Construct density (119.29240s) started
T25 << 1462708216.81835699 Construct density (120.88119s) stopped
T25 >> 1462708216.84674501 Symmetrize density (0.00558s) started
T25 << 1462708216.84681296 Symmetrize density (0.00565s) stopped
T25 << 1462708216.84916997 Pseudo density (997.63960s) stopped
T25 >> 1462708216.84922791 Atomic density matrices (186.56251s) started
T25 << 1462708219.50168109 Atomic density matrices (189.21497s) stopped
T25 >> 1462708219.50172496 Multipole moments (0.62343s) started
T25 << 1462708219.51029110 Multipole moments (0.63200s) stopped
T25 >> 1462708219.51034403 Normalize (0.59401s) started
T25 << 1462708219.51796198 Normalize (0.60163s) stopped
T25 >> 1462708219.51800704 Mix (36.62416s) started
T25 << 1462708220.10165000 Mix (37.20781s) stopped
T25 << 1462708220.10171604 Density (1225.30321s) stopped
T25 >> 1462708220.10185289 Hamiltonian (3565.56115s) started
T25 >> 1462708220.10187006 vbar (2.04270s) started
T25 << 1462708220.12035394 vbar (2.06118s) stopped
T25 >> 1462708220.12046099 XC 3D grid (2131.75770s) started
T25 >> 1462708220.60576296 van der Waals (2059.10628s) started
T25 >> 1462708220.73604393 semilocal (445.46647s) started
T25 << 1462708227.58626890 semilocal (452.31670s) stopped
T25 >> 1462708227.65607190 redistribute (221.75675s) started
T25 << 1462708229.97182202 redistribute (224.07250s) stopped
T25 >> 1462708229.97186589 libvdwxc nonlocal (1376.90723s) started
T25 << 1462708248.80006790 libvdwxc nonlocal (1395.73543s) stopped
T25 >> 1462708248.80014110 redistribute (224.07253s) started
T25 << 1462708250.74925089 redistribute (226.02164s) stopped
T25 << 1462708250.75145507 van der Waals (2089.25197s) stopped
T25 << 1462708251.23151398 XC 3D grid (2162.86875s) stopped
T25 >> 1462708251.23156404 Poisson (635.24291s) started
T25 << 1462708255.57722712 Poisson (639.58857s) stopped
T25 >> 1462708255.57736611 Hartree integrate/restrict (27.73859s) started
T25 << 1462708255.61644697 Hartree integrate/restrict (27.77767s) stopped
T25 >> 1462708255.61660790 Hartree integrate/restrict (27.77779s) started
T25 << 1462708255.96471310 Hartree integrate/restrict (28.12589s) stopped
T25 >> 1462708256.02377701 Atomic (627.60420s) started
T25 >> 1462708256.03819895 XC Correction (460.48475s) started
T25 << 1462708263.71137500 XC Correction (468.15793s) stopped
T25 << 1462708264.48029304 Atomic (636.06072s) stopped
T25 >> 1462708264.48050690 Communicate (137.32428s) started
T25 << 1462708267.12181807 Communicate (139.96559s) stopped
T25 << 1462708267.12185001 Hamiltonian (3612.58115s) stopped
T25 >> 1462708267.12197709 LCAO eigensolver (5588.87932s) started
T25 >> 1462708267.12199712 Potential matrix (190.87840s) started
T25 << 1462708269.45542097 Potential matrix (193.21183s) stopped
T25 >> 1462708269.45552206 DistributedAtomicCorrection (79.50829s) started
T25 << 1462708270.44184089 DistributedAtomicCorrection (80.49461s) stopped
T25 >> 1462708270.44194007 Distribute overlap matrix (419.24377s) started
T25 >> 1462708270.44196510 blocked summation (409.67277s) started
T25 << 1462708275.65059805 blocked summation (414.88141s) stopped
T25 >> 1462708275.66044497 Scalapack redistribute (8.81643s) started
T25 << 1462708275.77332401 Scalapack redistribute (8.92931s) stopped
T25 << 1462708275.77341390 Distribute overlap matrix (424.57524s) stopped
T25 >> 1462708275.77827811 Blacs Orbital Layouts (4509.25033s) started
T25 >> 1462708275.78630090 General diagonalize (4490.14095s) started
T25 << 1462708332.30839610 General diagonalize (4546.66305s) stopped
T25 >> 1462708332.30844998 Redistribute coefs (1.46582s) started
T25 << 1462708332.32452703 Redistribute coefs (1.48190s) stopped
T25 >> 1462708332.32456994 Send coefs to domains (16.93444s) started
T25 << 1462708332.42364812 Send coefs to domains (17.03352s) stopped
T25 << 1462708332.42406797 Blacs Orbital Layouts (4565.89612s) stopped
T25 >> 1462708332.42409706 Calculate projections (389.52988s) started
T25 << 1462708337.39515996 Calculate projections (394.50095s) stopped
T25 << 1462708337.39547110 LCAO eigensolver (5659.15281s) stopped
T25 >> 1462708338.69399095 Density (1225.30322s) started
T25 >> 1462708338.69400597 Pseudo density (997.63965s) started
T25 >> 1462708338.69602990 Calculate density matrix (873.49048s) started
T25 << 1462708351.38190198 Calculate density matrix (886.17635s) stopped
T25 >> 1462708351.38196111 Construct density (120.88125s) started
T25 << 1462708352.96767902 Construct density (122.46697s) stopped
T25 >> 1462708353.03651309 Symmetrize density (0.00566s) started
T25 << 1462708353.03657603 Symmetrize density (0.00573s) stopped
T25 << 1462708353.03895211 Pseudo density (1011.98459s) stopped
T25 >> 1462708353.03901792 Atomic density matrices (189.21499s) started
T25 << 1462708355.66403198 Atomic density matrices (191.84001s) stopped
T25 >> 1462708355.66407609 Multipole moments (0.63202s) started
T25 << 1462708355.67212796 Multipole moments (0.64007s) stopped
T25 >> 1462708355.67218089 Normalize (0.60166s) started
T25 << 1462708355.67908096 Normalize (0.60856s) stopped
T25 >> 1462708355.67917395 Mix (37.20787s) started
T25 << 1462708356.22043991 Mix (37.74914s) stopped
T25 << 1462708356.22051811 Density (1242.82975s) stopped
T25 >> 1462708356.22069693 Hamiltonian (3612.58116s) started
T25 >> 1462708356.22071600 vbar (2.06124s) started
T25 << 1462708356.25328112 vbar (2.09381s) stopped
T25 >> 1462708356.25342488 XC 3D grid (2162.86879s) started
T25 >> 1462708356.74754190 van der Waals (2089.25208s) started
T25 >> 1462708356.87883806 semilocal (452.31677s) started
T25 << 1462708363.93741393 semilocal (459.37535s) stopped
T25 >> 1462708364.00206590 redistribute (226.02176s) started
T25 << 1462708365.53309989 redistribute (227.55280s) stopped
T25 >> 1462708365.53314590 libvdwxc nonlocal (1395.73549s) started
T25 << 1462708384.96185303 libvdwxc nonlocal (1415.16419s) stopped
T25 >> 1462708384.96192598 redistribute (227.55283s) started
T25 << 1462708388.27552390 redistribute (230.86643s) stopped
T25 << 1462708388.27743912 van der Waals (2120.78198s) stopped
T25 << 1462708388.75813699 XC 3D grid (2195.37350s) stopped
T25 >> 1462708388.75817895 Poisson (639.58868s) started
T25 << 1462708393.23738503 Poisson (644.06789s) stopped
T25 >> 1462708393.23751211 Hartree integrate/restrict (28.12594s) started
T25 << 1462708393.26757407 Hartree integrate/restrict (28.15600s) stopped
T25 >> 1462708393.26770902 Hartree integrate/restrict (28.15609s) started
T25 << 1462708393.64467692 Hartree integrate/restrict (28.53306s) stopped
T25 >> 1462708393.70128989 Atomic (636.06074s) started
T25 >> 1462708393.71571708 XC Correction (468.15795s) started
T25 << 1462708401.37306190 XC Correction (475.81530s) stopped
T25 << 1462708402.23877192 Atomic (644.59822s) stopped
T25 >> 1462708402.23901796 Communicate (139.96561s) started
T25 << 1462708404.78647804 Communicate (142.51307s) stopped
T25 << 1462708404.78650689 Hamiltonian (3661.14697s) stopped
T25 >> 1462708404.78662300 LCAO eigensolver (5659.15283s) started
T25 >> 1462708404.78663802 Potential matrix (193.21188s) started
T25 << 1462708407.14104390 Potential matrix (195.56629s) stopped
T25 >> 1462708407.14114189 DistributedAtomicCorrection (80.49465s) started
T25 << 1462708408.12709188 DistributedAtomicCorrection (81.48060s) stopped
T25 >> 1462708408.12719607 Distribute overlap matrix (424.57525s) started
T25 >> 1462708408.12722206 blocked summation (414.88144s) started
T25 << 1462708413.38985205 blocked summation (420.14407s) stopped
T25 >> 1462708413.39967608 Scalapack redistribute (8.92936s) started
T25 << 1462708413.50130200 Scalapack redistribute (9.03098s) stopped
T25 << 1462708413.50140405 Distribute overlap matrix (429.94946s) stopped
T25 >> 1462708413.50601697 Blacs Orbital Layouts (4565.89614s) started
T25 >> 1462708413.51373410 General diagonalize (4546.66309s) started
T25 << 1462708470.29469204 General diagonalize (4603.44405s) stopped
T25 >> 1462708470.29473805 Redistribute coefs (1.48193s) started
T25 << 1462708470.31096792 Redistribute coefs (1.49816s) stopped
T25 >> 1462708470.31101608 Send coefs to domains (17.03355s) started
T25 << 1462708470.41015005 Send coefs to domains (17.13268s) stopped
T25 << 1462708470.41076589 Blacs Orbital Layouts (4622.80089s) stopped
T25 >> 1462708470.41079402 Calculate projections (394.50101s) started
T25 << 1462708475.37968898 Calculate projections (399.46990s) stopped
T25 << 1462708475.37999511 LCAO eigensolver (5729.74620s) stopped
T25 << 1462708476.67522001 SCF-cycle (10750.05364s) stopped
T25 >> 1462708479.41121292 Force calculation (602.64593s) started
T25 >> 1462708479.41129494 LCAO forces (541.36818s) started
T25 >> 1462708479.41168189 Initial (0.00015s) started
T25 << 1462708479.41169310 Initial (0.00017s) stopped
T25 >> 1462708479.41752791 Get density matrix (251.67611s) started
T25 << 1462708488.73277593 Get density matrix (260.99135s) stopped
T25 >> 1462708488.73281908 Potential (88.05185s) started
T25 << 1462708500.78621006 Potential (100.10524s) stopped
T25 >> 1462708500.78626704 Get density matrix (260.99139s) started
T25 << 1462708527.83984995 Get density matrix (288.04497s) stopped
T25 >> 1462708527.83990788 Prepare TCI loop (17.00170s) started
T25 >> 1462708527.84046197 Get neighbors (15.28212s) started
T25 << 1462708530.08473206 Get neighbors (17.52639s) stopped
T25 >> 1462708530.08507204 broadcast dH (1.71223s) started
T25 << 1462708530.26550508 broadcast dH (1.89267s) stopped
T25 << 1462708530.26555395 Prepare TCI loop (19.42734s) stopped
T25 >> 1462708530.26557302 Not so complicated loop (71.92562s) started
T25 << 1462708540.81202006 Not so complicated loop (82.47207s) stopped
T25 >> 1462708540.93220210 Complicated loop (111.86346s) started
T25 << 1462708557.07800794 Complicated loop (128.00927s) stopped
T25 >> 1462708557.08051801 Wait for sum (0.00072s) started
T25 << 1462708557.08060694 Wait for sum (0.00081s) stopped
T25 << 1462708557.08062100 LCAO forces (619.03751s) stopped
T25 << 1462708566.13664103 Force calculation (689.37135s) stopped
T25 >> 1462708566.15570688 Initialization (920.89867s) started
T25 << 1462708566.15594292 Initialization (920.89891s) stopped
T25 >> 1462708566.15639901 Initialization (920.89893s) started
T25 << 1462708566.15655994 Initialization (920.89909s) stopped
T25 >> 1462708566.15670991 Initialization (920.89910s) started
T25 << 1462708566.15685296 Initialization (920.89925s) stopped
T25 >> 1462708589.46810102 Initialization (920.89927s) started
T25 >> 1462708589.70609689 Basic WFS set positions (0.92469s) started
T25 >> 1462708589.70612192 Redistribute (0.16459s) started
T25 << 1462708589.71185803 Redistribute (0.17033s) stopped
T25 << 1462708589.82756591 Basic WFS set positions (1.04615s) stopped
T25 >> 1462708589.82759595 Basis functions set positions (14.28005s) started
T25 << 1462708591.84072995 Basis functions set positions (16.29318s) stopped
T25 >> 1462708591.84205103 TCI: Calculate S, T, P (184.08494s) started
T25 << 1462708615.87642002 TCI: Calculate S, T, P (208.11931s) stopped
T25 >> 1462708615.87653303 blocked summation (127.38827s) started
T25 << 1462708635.07760596 blocked summation (146.58934s) stopped
T25 >> 1462708635.08674407 Scalapack redistribute (2.23128s) started
T25 << 1462708635.18221688 Scalapack redistribute (2.32675s) stopped
T25 >> 1462708635.18321609 blocked summation (146.58938s) started
T25 << 1462708636.53423691 blocked summation (147.94040s) stopped
T25 >> 1462708636.54423189 Scalapack redistribute (2.32682s) started
T25 << 1462708636.69626808 Scalapack redistribute (2.47885s) stopped
T25 >> 1462708636.69875503 Redistribute (0.42549s) started
T25 << 1462708636.70003605 Redistribute (0.42678s) stopped
T25 >> 1462708638.50736403 Redistribute (0.42680s) started
T25 << 1462708638.50849104 Redistribute (0.42792s) stopped
T25 >> 1462708638.54283905 LCAO WFS Initialize (567.33143s) started
T25 >> 1462708638.54286599 Density initialize from wavefunctions (103.44033s) started
T25 >> 1462708638.54594707 Calculate density matrix (70.72118s) started
T25 << 1462708648.49350810 Calculate density matrix (80.66874s) stopped
T25 >> 1462708648.49356604 Construct density (11.54544s) started
T25 << 1462708650.10114002 Construct density (13.15301s) stopped
T25 >> 1462708650.18428802 Symmetrize density (0.00056s) started
T25 << 1462708650.18435192 Symmetrize density (0.00062s) stopped
T25 << 1462708653.13241506 Density initialize from wavefunctions (118.02988s) stopped
T25 >> 1462708653.13300395 Hamiltonian (462.87011s) started
T25 >> 1462708653.13302302 vbar (0.19596s) started
T25 << 1462708653.15882611 vbar (0.22177s) stopped
T25 >> 1462708653.15900111 XC 3D grid (233.11886s) started
T25 >> 1462708653.66749501 van der Waals (225.12800s) started
T25 >> 1462708653.80423689 semilocal (50.08224s) started
T25 << 1462708660.23030090 semilocal (56.50831s) stopped
T25 >> 1462708660.29387903 redistribute (22.17904s) started
T25 << 1462708661.68162608 redistribute (23.56679s) stopped
T25 >> 1462708661.68169904 libvdwxc nonlocal (151.26354s) started
T25 << 1462708680.25508595 libvdwxc nonlocal (169.83693s) stopped
T25 >> 1462708680.25515890 redistribute (23.56682s) started
T25 << 1462708682.08577204 redistribute (25.39744s) stopped
T25 << 1462708682.08806491 van der Waals (253.54857s) stopped
T25 << 1462708682.56141996 XC 3D grid (262.52127s) stopped
T25 >> 1462708682.56147099 Poisson (132.96762s) started
T25 << 1462708695.62758589 Poisson (146.03373s) stopped
T25 >> 1462708695.62766504 Hartree integrate/restrict (3.14111s) started
T25 << 1462708695.66914392 Hartree integrate/restrict (3.18259s) stopped
T25 >> 1462708695.66922808 Hartree integrate/restrict (3.18264s) started
T25 << 1462708696.00523591 Hartree integrate/restrict (3.51865s) stopped
T25 >> 1462708696.06391191 Atomic (79.45247s) started
T25 >> 1462708696.07891798 XC Correction (56.90118s) started
T25 << 1462708704.85493588 XC Correction (65.67720s) stopped
T25 << 1462708706.79738092 Atomic (90.18593s) stopped
T25 >> 1462708706.79769802 Communicate (13.47126s) started
T25 << 1462708708.24589992 Communicate (14.91946s) stopped
T25 << 1462708708.24592590 Hamiltonian (517.98304s) stopped
T25 << 1462708708.24599504 LCAO WFS Initialize (637.03458s) stopped
T25 << 1462708708.25836992 Initialization (1039.68954s) stopped
T25 >> 1462708708.28607392 SCF-cycle (10750.05366s) started
T25 >> 1462708708.28612089 LCAO eigensolver (5729.74622s) started
T25 >> 1462708708.28613400 Potential matrix (195.56634s) started
T25 << 1462708710.64457703 Potential matrix (197.92479s) stopped
T25 >> 1462708710.64467907 DistributedAtomicCorrection (81.48064s) started
T25 << 1462708711.67310309 DistributedAtomicCorrection (82.50906s) stopped
T25 >> 1462708711.67320299 Distribute overlap matrix (429.94947s) started
T25 >> 1462708711.67326307 blocked summation (420.14410s) started
T25 << 1462708717.13003612 blocked summation (425.60088s) stopped
T25 >> 1462708717.13996506 Scalapack redistribute (9.03104s) started
T25 << 1462708717.23678493 Scalapack redistribute (9.12786s) stopped
T25 << 1462708717.23690510 Distribute overlap matrix (435.51318s) stopped
T25 >> 1462708717.24118710 Blacs Orbital Layouts (4622.80091s) started
T25 >> 1462708717.24859309 General diagonalize (4603.44408s) started
T25 << 1462708774.25210309 General diagonalize (4660.44759s) stopped
T25 >> 1462708774.25214911 Redistribute coefs (1.49819s) started
T25 << 1462708774.26676798 Redistribute coefs (1.51281s) stopped
T25 >> 1462708774.26680994 Send coefs to domains (17.13272s) started
T25 << 1462708774.58994603 Send coefs to domains (17.45585s) stopped
T25 << 1462708774.59021091 Blacs Orbital Layouts (4680.14993s) stopped
T25 >> 1462708774.59023905 Calculate projections (399.46996s) started
T25 << 1462708779.51852894 Calculate projections (404.39825s) stopped
T25 << 1462708779.51889396 LCAO eigensolver (5800.97900s) stopped
T25 >> 1462708780.69850707 Density (1242.82977s) started
T25 >> 1462708780.69852090 Pseudo density (1011.98465s) started
T25 >> 1462708780.70001411 Calculate density matrix (886.17639s) started
T25 << 1462708793.36181211 Calculate density matrix (898.83819s) stopped
T25 >> 1462708793.36187792 Construct density (122.46702s) started
T25 << 1462708794.96958208 Construct density (124.07473s) stopped
T25 >> 1462708794.98342204 Symmetrize density (0.00574s) started
T25 << 1462708794.98347998 Symmetrize density (0.00580s) stopped
T25 << 1462708794.98584700 Pseudo density (1026.27197s) stopped
T25 >> 1462708794.98590207 Atomic density matrices (191.84003s) started
T25 << 1462708797.65351391 Atomic density matrices (194.50764s) stopped
T25 >> 1462708797.65355802 Multipole moments (0.64009s) started
T25 << 1462708797.66167808 Multipole moments (0.64821s) stopped
T25 >> 1462708797.66173100 Normalize (0.60863s) started
T25 << 1462708797.67602491 Normalize (0.62293s) stopped
T25 >> 1462708797.67609000 Mix (37.74921s) started
T25 << 1462708798.12666798 Mix (38.19979s) stopped
T25 << 1462708798.12676501 Density (1260.25802s) stopped
T25 >> 1462708798.12687206 Hamiltonian (3661.14698s) started
T25 >> 1462708798.12689090 vbar (2.09388s) started
T25 << 1462708798.15620708 vbar (2.12320s) stopped
T25 >> 1462708798.15632296 XC 3D grid (2195.37354s) started
T25 >> 1462708798.65355110 van der Waals (2120.78205s) started
T25 >> 1462708798.78551602 semilocal (459.37541s) started
T25 << 1462708805.26172900 semilocal (465.85162s) stopped
T25 >> 1462708805.32479095 redistribute (230.86649s) started
T25 << 1462708807.02189589 redistribute (232.56359s) stopped
T25 >> 1462708807.02193999 libvdwxc nonlocal (1415.16425s) started
T25 << 1462708826.03893900 libvdwxc nonlocal (1434.18125s) stopped
T25 >> 1462708826.03900003 redistribute (232.56363s) started
T25 << 1462708827.75744510 redistribute (234.28207s) stopped
T25 << 1462708827.75989199 van der Waals (2149.88839s) stopped
T25 << 1462708828.24065709 XC 3D grid (2225.45787s) stopped
T25 >> 1462708828.24071288 Poisson (644.06799s) started
T25 << 1462708851.14467311 Poisson (666.97195s) stopped
T25 >> 1462708851.14476705 Hartree integrate/restrict (28.53314s) started
T25 << 1462708851.19335890 Hartree integrate/restrict (28.58173s) stopped
T25 >> 1462708851.19341803 Hartree integrate/restrict (28.58177s) started
T25 << 1462708851.52187896 Hartree integrate/restrict (28.91023s) stopped
T25 >> 1462708851.57739902 Atomic (644.59825s) started
T25 >> 1462708851.59130192 XC Correction (475.81533s) started
T25 << 1462708859.48676801 XC Correction (483.71080s) stopped
T25 << 1462708861.64036012 Atomic (654.66121s) stopped
T25 >> 1462708861.64061403 Communicate (142.51309s) started
T25 << 1462708863.26950407 Communicate (144.14198s) stopped
T25 << 1462708863.26953292 Hamiltonian (3726.28964s) stopped
T25 >> 1462708863.26962900 LCAO eigensolver (5800.97902s) started
T25 >> 1462708863.26964307 Potential matrix (197.92484s) started
T25 << 1462708865.62746692 Potential matrix (200.28267s) stopped
T25 >> 1462708865.62755609 DistributedAtomicCorrection (82.50911s) started
T25 << 1462708866.58284807 DistributedAtomicCorrection (83.46440s) stopped
T25 >> 1462708866.58289099 Distribute overlap matrix (435.51319s) started
T25 >> 1462708866.58296299 blocked summation (425.60091s) started
T25 << 1462708871.86123896 blocked summation (430.87918s) stopped
T25 >> 1462708871.87115693 Scalapack redistribute (9.12793s) started
T25 << 1462708871.97596598 Scalapack redistribute (9.23274s) stopped
T25 << 1462708871.97604489 Distribute overlap matrix (440.90634s) stopped
T25 >> 1462708871.98137307 Blacs Orbital Layouts (4680.14995s) started
T25 >> 1462708871.98909593 General diagonalize (4660.44763s) started
T25 << 1462708929.33069611 General diagonalize (4717.78923s) stopped
T25 >> 1462708929.33076596 Redistribute coefs (1.51285s) started
T25 << 1462708929.35720992 Redistribute coefs (1.53929s) stopped
T25 >> 1462708929.35724998 Send coefs to domains (17.45589s) started
T25 << 1462708929.56681705 Send coefs to domains (17.66546s) stopped
T25 << 1462708929.56704807 Blacs Orbital Layouts (4737.73563s) stopped
T25 >> 1462708929.56707692 Calculate projections (404.39830s) started
T25 << 1462708934.51430988 Calculate projections (409.34554s) stopped
T25 << 1462708934.51465297 LCAO eigensolver (5872.22404s) stopped
T25 >> 1462708935.66248989 Density (1260.25804s) started
T25 >> 1462708935.66250491 Pseudo density (1026.27202s) started
T25 >> 1462708935.66409302 Calculate density matrix (898.83823s) started
T25 << 1462708948.27719092 Calculate density matrix (911.45133s) stopped
T25 >> 1462708948.27724791 Construct density (124.07478s) started
T25 << 1462708949.88996506 Construct density (125.68750s) stopped
T25 >> 1462708949.92055202 Symmetrize density (0.00582s) started
T25 << 1462708949.92061305 Symmetrize density (0.00588s) stopped
T25 << 1462708949.92297196 Pseudo density (1040.53248s) stopped
T25 >> 1462708949.92303991 Atomic density matrices (194.50767s) started
T25 << 1462708952.57250190 Atomic density matrices (197.15713s) stopped
T25 >> 1462708952.57254696 Multipole moments (0.64822s) started
T25 << 1462708952.58045697 Multipole moments (0.65613s) stopped
T25 >> 1462708952.58050704 Normalize (0.62298s) started
T25 << 1462708952.59509301 Normalize (0.63756s) stopped
T25 >> 1462708952.59516096 Mix (38.19988s) started
T25 << 1462708953.08853412 Mix (38.69325s) stopped
T25 << 1462708953.08860993 Density (1277.68416s) stopped
T25 >> 1462708953.08870196 Hamiltonian (3726.28965s) started
T25 >> 1462708953.08871603 vbar (2.12327s) started
T25 << 1462708953.11366391 vbar (2.14821s) stopped
T25 >> 1462708953.11378407 XC 3D grid (2225.45791s) started
T25 >> 1462708953.60570502 van der Waals (2149.88850s) started
T25 >> 1462708953.73715901 semilocal (465.85173s) started
T25 << 1462708960.38561201 semilocal (472.50019s) stopped
T25 >> 1462708960.45026803 redistribute (234.28219s) started
T25 << 1462708962.23148108 redistribute (236.06340s) stopped
T25 >> 1462708962.23152399 libvdwxc nonlocal (1434.18129s) started
T25 << 1462708981.41837406 libvdwxc nonlocal (1453.36814s) stopped
T25 >> 1462708981.41843700 redistribute (236.06344s) started
T25 << 1462708983.37217689 redistribute (238.01718s) stopped
T25 << 1462708983.37433004 van der Waals (2179.65713s) stopped
T25 << 1462708983.85752296 XC 3D grid (2256.20165s) stopped
T25 >> 1462708983.85758901 Poisson (666.97202s) started
T25 << 1462708998.22509789 Poisson (681.33953s) stopped
T25 >> 1462708998.22516298 Hartree integrate/restrict (28.91027s) started
T25 << 1462708998.28055096 Hartree integrate/restrict (28.96565s) stopped
T25 >> 1462708998.28062105 Hartree integrate/restrict (28.96570s) started
T25 << 1462708998.60921407 Hartree integrate/restrict (29.29429s) stopped
T25 >> 1462708998.66378903 Atomic (654.66123s) started
T25 >> 1462708998.67767310 XC Correction (483.71082s) started
T25 << 1462709006.57349491 XC Correction (491.60664s) stopped
T25 << 1462709008.04586506 Atomic (664.04330s) stopped
T25 >> 1462709008.04608989 Communicate (144.14200s) started
T25 << 1462709010.22930288 Communicate (146.32521s) stopped
T25 << 1462709010.22932696 Hamiltonian (3783.43028s) stopped
T25 >> 1462709010.22941208 LCAO eigensolver (5872.22406s) started
T25 >> 1462709010.22942710 Potential matrix (200.28272s) started
T25 << 1462709012.58662200 Potential matrix (202.63991s) stopped
T25 >> 1462709012.58671093 DistributedAtomicCorrection (83.46443s) started
T25 << 1462709013.55854297 DistributedAtomicCorrection (84.43626s) stopped
T25 >> 1462709013.55858493 Distribute overlap matrix (440.90636s) started
T25 >> 1462709013.55863309 blocked summation (430.87922s) started
T25 << 1462709018.84315610 blocked summation (436.16374s) stopped
T25 >> 1462709018.85253096 Scalapack redistribute (9.23277s) started
T25 << 1462709018.95628405 Scalapack redistribute (9.33653s) stopped
T25 << 1462709018.95633507 Distribute overlap matrix (446.30411s) stopped
T25 >> 1462709018.96268797 Blacs Orbital Layouts (4737.73565s) started
T25 >> 1462709018.97052693 General diagonalize (4717.78929s) started
T25 << 1462709075.48588610 General diagonalize (4774.30465s) stopped
T25 >> 1462709075.48593092 Redistribute coefs (1.53932s) started
T25 << 1462709075.50293803 Redistribute coefs (1.55633s) stopped
T25 >> 1462709075.50297904 Send coefs to domains (17.66550s) started
T25 << 1462709075.59368801 Send coefs to domains (17.75621s) stopped
T25 << 1462709075.59396911 Blacs Orbital Layouts (4794.36693s) stopped
T25 >> 1462709075.59400105 Calculate projections (409.34558s) started
T25 << 1462709080.54995394 Calculate projections (414.30154s) stopped
T25 << 1462709080.55032492 LCAO eigensolver (5942.54497s) stopped
T25 >> 1462709081.68194199 Density (1277.68418s) started
T25 >> 1462709081.68195701 Pseudo density (1040.53254s) started
T25 >> 1462709081.68321109 Calculate density matrix (911.45137s) started
T25 << 1462709094.34977198 Calculate density matrix (924.11793s) stopped
T25 >> 1462709094.34983110 Construct density (125.68755s) started
T25 << 1462709095.95100999 Construct density (127.28873s) stopped
T25 >> 1462709095.96329498 Symmetrize density (0.00590s) started
T25 << 1462709095.96336102 Symmetrize density (0.00596s) stopped
T25 << 1462709095.96543407 Pseudo density (1054.81602s) stopped
T25 >> 1462709095.96549296 Atomic density matrices (197.15716s) started
T25 << 1462709098.64776802 Atomic density matrices (199.83943s) stopped
T25 >> 1462709098.64781404 Multipole moments (0.65615s) started
T25 << 1462709098.65822506 Multipole moments (0.66656s) stopped
T25 >> 1462709098.65827799 Normalize (0.63761s) started
T25 << 1462709098.66669393 Normalize (0.64603s) stopped
T25 >> 1462709098.66675091 Mix (38.69333s) started
T25 << 1462709099.16583705 Mix (39.19241s) stopped
T25 << 1462709099.16587901 Density (1295.16811s) stopped
T25 >> 1462709099.16595602 Hamiltonian (3783.43029s) started
T25 >> 1462709099.16597199 vbar (2.14828s) started
T25 << 1462709099.19025707 vbar (2.17257s) stopped
T25 >> 1462709099.19039702 XC 3D grid (2256.20171s) started
T25 >> 1462709099.70322704 van der Waals (2179.65718s) started
T25 >> 1462709099.83155489 semilocal (472.50025s) started
T25 << 1462709106.61660695 semilocal (479.28530s) stopped
T25 >> 1462709106.73033810 redistribute (238.01724s) started
T25 << 1462709107.92476892 redistribute (239.21167s) stopped
T25 >> 1462709107.92481399 libvdwxc nonlocal (1453.36819s) started
T25 << 1462709126.71253610 libvdwxc nonlocal (1472.15591s) stopped
T25 >> 1462709126.71260190 redistribute (239.21171s) started
T25 << 1462709128.73223591 redistribute (241.23134s) stopped
T25 << 1462709128.73416400 van der Waals (2208.68812s) stopped
T25 << 1462709129.21467495 XC 3D grid (2286.22598s) stopped
T25 >> 1462709129.21472001 Poisson (681.33958s) started
T25 << 1462709146.70738602 Poisson (698.83224s) stopped
T25 >> 1462709146.70748591 Hartree integrate/restrict (29.29433s) started
T25 << 1462709146.74531889 Hartree integrate/restrict (29.33216s) stopped
T25 >> 1462709146.74540401 Hartree integrate/restrict (29.33221s) started
T25 << 1462709147.10373712 Hartree integrate/restrict (29.69055s) stopped
T25 >> 1462709147.15930700 Atomic (664.04335s) started
T25 >> 1462709147.17333603 XC Correction (491.60666s) started
T25 << 1462709155.09633207 XC Correction (499.52966s) stopped
T25 << 1462709156.54935288 Atomic (673.43339s) stopped
T25 >> 1462709156.54956198 Communicate (146.32523s) started
T25 << 1462709158.91118789 Communicate (148.68685s) stopped
T25 << 1462709158.91121292 Hamiltonian (3843.17555s) stopped
T25 >> 1462709158.91129804 LCAO eigensolver (5942.54499s) started
T25 >> 1462709158.91131306 Potential matrix (202.63997s) started
T25 << 1462709161.26199198 Potential matrix (204.99065s) stopped
T25 >> 1462709161.26209307 DistributedAtomicCorrection (84.43630s) started
T25 << 1462709162.21705198 DistributedAtomicCorrection (85.39126s) stopped
T25 >> 1462709162.21710110 Distribute overlap matrix (446.30412s) started
T25 >> 1462709162.21714592 blocked summation (436.16378s) started
T25 << 1462709167.52438211 blocked summation (441.47101s) stopped
T25 >> 1462709167.53390002 Scalapack redistribute (9.33656s) started
T25 << 1462709167.64215207 Scalapack redistribute (9.44481s) stopped
T25 << 1462709167.64220190 Distribute overlap matrix (451.72922s) stopped
T25 >> 1462709167.64717698 Blacs Orbital Layouts (4794.36694s) started
T25 >> 1462709167.65485692 General diagonalize (4774.30469s) started
T25 << 1462709224.15104198 General diagonalize (4830.80087s) stopped
T25 >> 1462709224.15109491 Redistribute coefs (1.55636s) started
T25 << 1462709224.18214989 Redistribute coefs (1.58741s) stopped
T25 >> 1462709224.18219304 Send coefs to domains (17.75625s) started
T25 << 1462709224.47348309 Send coefs to domains (18.04754s) stopped
T25 << 1462709224.47377992 Blacs Orbital Layouts (4851.19355s) stopped
T25 >> 1462709224.47380710 Calculate projections (414.30160s) started
T25 << 1462709229.40559411 Calculate projections (419.23338s) stopped
T25 << 1462709229.40596008 LCAO eigensolver (6013.03965s) stopped
T25 >> 1462709230.57886910 Density (1295.16813s) started
T25 >> 1462709230.57888389 Pseudo density (1054.81606s) started
T25 >> 1462709230.58044195 Calculate density matrix (924.11797s) started
T25 << 1462709243.19093990 Calculate density matrix (936.72847s) stopped
T25 >> 1462709243.19099903 Construct density (127.28879s) started
T25 << 1462709244.80169702 Construct density (128.89949s) stopped
T25 >> 1462709244.81516099 Symmetrize density (0.00598s) started
T25 << 1462709244.81522393 Symmetrize density (0.00604s) stopped
T25 << 1462709244.81756902 Pseudo density (1069.05475s) stopped
T25 >> 1462709244.81762505 Atomic density matrices (199.83946s) started
T25 << 1462709247.48778105 Atomic density matrices (202.50962s) stopped
T25 >> 1462709247.48782611 Multipole moments (0.66658s) started
T25 << 1462709247.49701810 Multipole moments (0.67577s) stopped
T25 >> 1462709247.49707198 Normalize (0.64607s) started
T25 << 1462709247.50966692 Normalize (0.65866s) stopped
T25 >> 1462709247.50974107 Mix (39.19246s) started
T25 << 1462709248.02415109 Mix (39.70687s) stopped
T25 << 1462709248.02424192 Density (1312.61350s) stopped
T25 >> 1462709248.02435589 Hamiltonian (3843.17556s) started
T25 >> 1462709248.02437496 vbar (2.17264s) started
T25 << 1462709248.05118489 vbar (2.19945s) stopped
T25 >> 1462709248.05129695 XC 3D grid (2286.22602s) started
T25 >> 1462709248.51436496 van der Waals (2208.68823s) started
T25 >> 1462709248.64860106 semilocal (479.28541s) started
T25 << 1462709255.38036799 semilocal (486.01718s) stopped
T25 >> 1462709255.47826910 redistribute (241.23146s) started
T25 << 1462709257.03393292 redistribute (242.78712s) stopped
T25 >> 1462709257.03397799 libvdwxc nonlocal (1472.15596s) started
T25 << 1462709276.21009898 libvdwxc nonlocal (1491.33208s) stopped
T25 >> 1462709276.21016002 redistribute (242.78716s) started
T25 << 1462709277.86597300 redistribute (244.44297s) stopped
T25 << 1462709277.86806989 van der Waals (2238.04194s) stopped
T25 << 1462709278.35734200 XC 3D grid (2316.53206s) stopped
T25 >> 1462709278.35738492 Poisson (698.83232s) started
T25 << 1462709294.02249408 Poisson (714.49743s) stopped
T25 >> 1462709294.02269912 Hartree integrate/restrict (29.69060s) started
T25 << 1462709294.06531000 Hartree integrate/restrict (29.73321s) stopped
T25 >> 1462709294.06540990 Hartree integrate/restrict (29.73328s) started
T25 << 1462709294.41427398 Hartree integrate/restrict (30.08215s) stopped
T25 >> 1462709294.47040701 Atomic (673.43341s) started
T25 >> 1462709294.48439789 XC Correction (499.52968s) started
T25 << 1462709302.54612589 XC Correction (507.59141s) stopped
T25 << 1462709303.90290594 Atomic (682.86591s) stopped
T25 >> 1462709303.90313196 Communicate (148.68687s) started
T25 << 1462709305.63024998 Communicate (150.41399s) stopped
T25 << 1462709305.63027692 Hamiltonian (3900.78148s) stopped
T25 >> 1462709305.63036895 LCAO eigensolver (6013.03967s) started
T25 >> 1462709305.63038301 Potential matrix (204.99070s) started
T25 << 1462709307.96943498 Potential matrix (207.32975s) stopped
T25 >> 1462709307.96952510 DistributedAtomicCorrection (85.39130s) started
T25 << 1462709308.94665790 DistributedAtomicCorrection (86.36843s) stopped
T25 >> 1462709308.94670200 Distribute overlap matrix (451.72924s) started
T25 >> 1462709308.94675112 blocked summation (441.47105s) started
T25 << 1462709314.23491406 blocked summation (446.75921s) stopped
T25 >> 1462709314.24423790 Scalapack redistribute (9.44485s) started
T25 << 1462709314.36409402 Scalapack redistribute (9.56471s) stopped
T25 << 1462709314.36416793 Distribute overlap matrix (457.14670s) stopped
T25 >> 1462709314.36916494 Blacs Orbital Layouts (4851.19357s) started
T25 >> 1462709314.37684703 General diagonalize (4830.80092s) started
T25 << 1462709370.41832995 General diagonalize (4886.84240s) stopped
T25 >> 1462709370.41837692 Redistribute coefs (1.58745s) started
T25 << 1462709370.43563795 Redistribute coefs (1.60471s) stopped
T25 >> 1462709370.43568397 Send coefs to domains (18.04758s) started
T25 << 1462709370.52580905 Send coefs to domains (18.13770s) stopped
T25 << 1462709370.52608299 Blacs Orbital Layouts (4907.35048s) stopped
T25 >> 1462709370.52611899 Calculate projections (419.23343s) started
T25 << 1462709375.45784402 Calculate projections (424.16516s) stopped
T25 << 1462709375.45802498 LCAO eigensolver (6082.86733s) stopped
T25 >> 1462709376.63333511 Density (1312.61352s) started
T25 >> 1462709376.63334990 Pseudo density (1069.05479s) started
T25 >> 1462709376.63490009 Calculate density matrix (936.72850s) started
T25 << 1462709389.17857289 Calculate density matrix (949.27218s) stopped
T25 >> 1462709389.17863393 Construct density (128.89954s) started
T25 << 1462709390.78870511 Construct density (130.50961s) stopped
T25 >> 1462709390.80245590 Symmetrize density (0.00606s) started
T25 << 1462709390.80251288 Symmetrize density (0.00612s) stopped
T25 << 1462709390.80486298 Pseudo density (1083.22631s) stopped
T25 >> 1462709390.80491805 Atomic density matrices (202.50964s) started
T25 << 1462709393.47333407 Atomic density matrices (205.17806s) stopped
T25 >> 1462709393.47337794 Multipole moments (0.67579s) started
T25 << 1462709393.48157406 Multipole moments (0.68399s) stopped
T25 >> 1462709393.48162603 Normalize (0.65872s) started
T25 << 1462709393.49618697 Normalize (0.67328s) stopped
T25 >> 1462709393.49624991 Mix (39.70695s) started
T25 << 1462709394.03184700 Mix (40.24255s) stopped
T25 << 1462709394.03191805 Density (1330.01210s) stopped
T25 >> 1462709394.03200006 Hamiltonian (3900.78150s) started
T25 >> 1462709394.03201509 vbar (2.19951s) started
T25 << 1462709394.06516004 vbar (2.23266s) stopped
T25 >> 1462709394.06532907 XC 3D grid (2316.53210s) started
T25 >> 1462709394.55299997 van der Waals (2238.04204s) started
T25 >> 1462709394.69109011 semilocal (486.01730s) started
T25 << 1462709401.60834408 semilocal (492.93456s) stopped
T25 >> 1462709401.68871093 redistribute (244.44309s) started
T25 << 1462709403.34118295 redistribute (246.09556s) stopped
T25 >> 1462709403.34122801 libvdwxc nonlocal (1491.33213s) started
T25 << 1462709422.34666204 libvdwxc nonlocal (1510.33756s) stopped
T25 >> 1462709422.34673190 redistribute (246.09560s) started
T25 << 1462709424.08912396 redistribute (247.83799s) stopped
T25 << 1462709424.09127212 van der Waals (2267.58031s) stopped
T25 << 1462709424.58665705 XC 3D grid (2347.05343s) stopped
T25 >> 1462709424.58670092 Poisson (714.49761s) started
T25 << 1462709431.82727289 Poisson (721.73818s) stopped
T25 >> 1462709431.82735491 Hartree integrate/restrict (30.08218s) started
T25 << 1462709431.87568688 Hartree integrate/restrict (30.13051s) stopped
T25 >> 1462709431.87573099 Hartree integrate/restrict (30.13054s) started
T25 << 1462709432.20838189 Hartree integrate/restrict (30.46319s) stopped
T25 >> 1462709432.26622200 Atomic (682.86593s) started
T25 >> 1462709432.28041601 XC Correction (507.59143s) started
T25 << 1462709439.71031594 XC Correction (515.02133s) stopped
T25 << 1462709441.11884403 Atomic (691.71856s) stopped
T25 >> 1462709441.11906600 Communicate (150.41400s) started
T25 << 1462709443.37740993 Communicate (152.67235s) stopped
T25 << 1462709443.37743711 Hamiltonian (3950.12693s) stopped
T25 >> 1462709443.37752700 LCAO eigensolver (6082.86735s) started
T25 >> 1462709443.37754297 Potential matrix (207.32981s) started
T25 << 1462709445.73324895 Potential matrix (209.68551s) stopped
T25 >> 1462709445.73334908 DistributedAtomicCorrection (86.36847s) started
T25 << 1462709446.68048406 DistributedAtomicCorrection (87.31560s) stopped
T25 >> 1462709446.68053293 Distribute overlap matrix (457.14672s) started
T25 >> 1462709446.68057895 blocked summation (446.75924s) started
T25 << 1462709451.89769506 blocked summation (451.97636s) stopped
T25 >> 1462709451.90685511 Scalapack redistribute (9.56476s) started
T25 << 1462709452.02280688 Scalapack redistribute (9.68071s) stopped
T25 << 1462709452.02288389 Distribute overlap matrix (462.48907s) stopped
T25 >> 1462709452.02946711 Blacs Orbital Layouts (4907.35050s) started
T25 >> 1462709452.03855991 General diagonalize (4886.84244s) started
T25 << 1462709508.23244190 General diagonalize (4943.03632s) stopped
T25 >> 1462709508.23248792 Redistribute coefs (1.60474s) started
T25 << 1462709508.24952507 Redistribute coefs (1.62178s) stopped
T25 >> 1462709508.24956989 Send coefs to domains (18.13774s) started
T25 << 1462709508.46189094 Send coefs to domains (18.35006s) stopped
T25 << 1462709508.46234608 Blacs Orbital Layouts (4963.78338s) stopped
T25 >> 1462709508.46237493 Calculate projections (424.16521s) started
T25 << 1462709513.38503790 Calculate projections (429.08787s) stopped
T25 << 1462709513.38522196 LCAO eigensolver (6152.87504s) stopped
T25 >> 1462709514.59875894 Density (1330.01212s) started
T25 >> 1462709514.59877396 Pseudo density (1083.22635s) started
T25 >> 1462709514.60029411 Calculate density matrix (949.27222s) started
T25 << 1462709527.23886395 Calculate density matrix (961.91079s) stopped
T25 >> 1462709527.23891902 Construct density (130.50966s) started
T25 << 1462709528.84181809 Construct density (132.11256s) stopped
T25 >> 1462709528.85537100 Symmetrize density (0.00614s) started
T25 << 1462709528.85542798 Symmetrize density (0.00619s) stopped
T25 << 1462709528.85774398 Pseudo density (1097.48532s) stopped
T25 >> 1462709528.85779810 Atomic density matrices (205.17808s) started
T25 << 1462709531.53724194 Atomic density matrices (207.85753s) stopped
T25 >> 1462709531.53728604 Multipole moments (0.68400s) started
T25 << 1462709531.54626799 Multipole moments (0.69299s) stopped
T25 >> 1462709531.54631901 Normalize (0.67333s) started
T25 << 1462709531.56045294 Normalize (0.68746s) stopped
T25 >> 1462709531.56054497 Mix (40.24262s) started
T25 << 1462709532.15895295 Mix (40.84103s) stopped
T25 << 1462709532.15903997 Density (1347.57240s) stopped
T25 >> 1462709532.15915895 Hamiltonian (3950.12695s) started
T25 >> 1462709532.15917802 vbar (2.23275s) started
T25 << 1462709532.18741107 vbar (2.26099s) stopped
T25 >> 1462709532.18751597 XC 3D grid (2347.05346s) started
T25 >> 1462709532.65559793 van der Waals (2267.58041s) started
T25 >> 1462709532.78953099 semilocal (492.93462s) started
T25 << 1462709539.71821904 semilocal (499.86331s) stopped
T25 >> 1462709539.81263709 redistribute (247.83809s) started
T25 << 1462709541.51136494 redistribute (249.53681s) stopped
T25 >> 1462709541.51141000 libvdwxc nonlocal (1510.33761s) started
T25 << 1462709560.94822311 libvdwxc nonlocal (1529.77443s) stopped
T25 >> 1462709560.94828701 redistribute (249.53685s) started
T25 << 1462709562.58083606 redistribute (251.16940s) stopped
T25 << 1462709562.58251595 van der Waals (2297.50732s) stopped
T25 << 1462709563.07944798 XC 3D grid (2377.94539s) stopped
T25 >> 1462709563.07949090 Poisson (721.73824s) started
T25 << 1462709570.37281489 Poisson (729.03156s) stopped
T25 >> 1462709570.37288809 Hartree integrate/restrict (30.46323s) started
T25 << 1462709570.43530798 Hartree integrate/restrict (30.52565s) stopped
T25 >> 1462709570.43537307 Hartree integrate/restrict (30.52569s) started
T25 << 1462709570.75377703 Hartree integrate/restrict (30.84409s) stopped
T25 >> 1462709570.81311703 Atomic (691.71858s) started
T25 >> 1462709570.82728004 XC Correction (515.02136s) started
T25 << 1462709578.57316494 XC Correction (522.76724s) stopped
T25 << 1462709579.99718404 Atomic (700.90264s) stopped
T25 >> 1462709579.99739408 Communicate (152.67237s) started
T25 << 1462709581.84247088 Communicate (154.51744s) stopped
T25 << 1462709581.84249711 Hamiltonian (3999.81028s) stopped
T25 >> 1462709581.84259009 LCAO eigensolver (6152.87506s) started
T25 >> 1462709581.84260511 Potential matrix (209.68557s) started
T25 << 1462709584.17405891 Potential matrix (212.01702s) stopped
T25 >> 1462709584.17416000 DistributedAtomicCorrection (87.31565s) started
T25 << 1462709585.14127707 DistributedAtomicCorrection (88.28276s) stopped
T25 >> 1462709585.14132690 Distribute overlap matrix (462.48908s) started
T25 >> 1462709585.14137411 blocked summation (451.97639s) started
T25 << 1462709590.40780711 blocked summation (457.24283s) stopped
T25 >> 1462709590.41726208 Scalapack redistribute (9.68075s) started
T25 << 1462709590.51185203 Scalapack redistribute (9.77534s) stopped
T25 << 1462709590.51196003 Distribute overlap matrix (467.85971s) stopped
T25 >> 1462709590.51621699 Blacs Orbital Layouts (4963.78340s) started
T25 >> 1462709590.52375293 General diagonalize (4943.03636s) started
T25 << 1462709646.77690601 General diagonalize (4999.28951s) stopped
T25 >> 1462709646.77695489 Redistribute coefs (1.62182s) started
T25 << 1462709646.79361200 Redistribute coefs (1.63848s) stopped
T25 >> 1462709646.79365396 Send coefs to domains (18.35010s) started
T25 << 1462709647.04301000 Send coefs to domains (18.59945s) stopped
T25 << 1462709647.04329109 Blacs Orbital Layouts (5020.31047s) stopped
T25 >> 1462709647.04331994 Calculate projections (429.08793s) started
T25 << 1462709652.01182699 Calculate projections (434.05643s) stopped
T25 << 1462709652.01200700 LCAO eigensolver (6223.04448s) stopped
T25 >> 1462709653.15459299 Density (1347.57242s) started
T25 >> 1462709653.15460801 Pseudo density (1097.48536s) started
T25 >> 1462709653.15605998 Calculate density matrix (961.91083s) started
T25 << 1462709665.84792304 Calculate density matrix (974.60269s) stopped
T25 >> 1462709665.84798193 Construct density (132.11262s) started
T25 << 1462709667.45250797 Construct density (133.71714s) stopped
T25 >> 1462709667.46737289 Symmetrize density (0.00621s) started
T25 << 1462709667.46743703 Symmetrize density (0.00627s) stopped
T25 << 1462709667.46951604 Pseudo density (1111.80027s) stopped
T25 >> 1462709667.46957397 Atomic density matrices (207.85755s) started
T25 << 1462709670.11998510 Atomic density matrices (210.50796s) stopped
T25 >> 1462709670.12002897 Multipole moments (0.69300s) started
T25 << 1462709670.13016009 Multipole moments (0.70313s) stopped
T25 >> 1462709670.13021207 Normalize (0.68753s) started
T25 << 1462709670.13856792 Normalize (0.69589s) stopped
T25 >> 1462709670.13861108 Mix (40.84111s) started
T25 << 1462709670.67804193 Mix (41.38054s) stopped
T25 << 1462709670.67813492 Density (1365.09596s) stopped
T25 >> 1462709670.67823911 Hamiltonian (3999.81030s) started
T25 >> 1462709670.67825890 vbar (2.26105s) started
T25 << 1462709670.71371198 vbar (2.29650s) stopped
T25 >> 1462709670.71390796 XC 3D grid (2377.94543s) started
T25 >> 1462709671.20362997 van der Waals (2297.50740s) started
T25 >> 1462709671.33108711 semilocal (499.86343s) started
T25 << 1462709679.22826791 semilocal (507.76061s) stopped
T25 >> 1462709679.30441594 redistribute (251.16949s) started
T25 << 1462709680.33205509 redistribute (252.19713s) stopped
T25 >> 1462709680.33209801 libvdwxc nonlocal (1529.77447s) started
T25 << 1462709699.08031988 libvdwxc nonlocal (1548.52270s) stopped
T25 >> 1462709699.08038902 redistribute (252.19716s) started
T25 << 1462709700.91047692 redistribute (254.02725s) stopped
T25 << 1462709700.91166806 van der Waals (2327.21544s) stopped
T25 << 1462709701.40709901 XC 3D grid (2408.63862s) stopped
T25 >> 1462709701.40714598 Poisson (729.03162s) started
T25 << 1462709711.32097912 Poisson (738.94545s) stopped
T25 >> 1462709711.32105303 Hartree integrate/restrict (30.84413s) started
T25 << 1462709711.36416101 Hartree integrate/restrict (30.88723s) stopped
T25 >> 1462709711.36422801 Hartree integrate/restrict (30.88728s) started
T25 << 1462709711.69886804 Hartree integrate/restrict (31.22192s) stopped
T25 >> 1462709711.75717998 Atomic (700.90266s) started
T25 >> 1462709711.77128911 XC Correction (522.76727s) started
T25 << 1462709719.56309295 XC Correction (530.55907s) stopped
T25 << 1462709720.83381891 Atomic (709.97930s) stopped
T25 >> 1462709720.83407402 Communicate (154.51746s) started
T25 << 1462709722.82791495 Communicate (156.51130s) stopped
T25 << 1462709722.82793999 Hamiltonian (4051.96000s) stopped
T25 >> 1462709722.82803893 LCAO eigensolver (6223.04450s) started
T25 >> 1462709722.82805395 Potential matrix (212.01708s) started
T25 << 1462709725.18179107 Potential matrix (214.37082s) stopped
T25 >> 1462709725.18189096 DistributedAtomicCorrection (88.28280s) started
T25 << 1462709726.14539790 DistributedAtomicCorrection (89.24631s) stopped
T25 >> 1462709726.14544892 Distribute overlap matrix (467.85973s) started
T25 >> 1462709726.14549708 blocked summation (457.24286s) started
T25 << 1462709731.35046291 blocked summation (462.44782s) stopped
T25 >> 1462709731.36001396 Scalapack redistribute (9.77540s) started
T25 << 1462709731.47540808 Scalapack redistribute (9.89079s) stopped
T25 << 1462709731.47550511 Distribute overlap matrix (473.18979s) stopped
T25 >> 1462709731.48018289 Blacs Orbital Layouts (5020.31049s) started
T25 >> 1462709731.48780489 General diagonalize (4999.28955s) started
T25 << 1462709787.21404290 General diagonalize (5055.01579s) stopped
T25 >> 1462709787.21408892 Redistribute coefs (1.63851s) started
T25 << 1462709787.23054409 Redistribute coefs (1.65496s) stopped
T25 >> 1462709787.23058796 Send coefs to domains (18.59949s) started
T25 << 1462709787.32564998 Send coefs to domains (18.69455s) stopped
T25 << 1462709787.32591105 Blacs Orbital Layouts (5076.15622s) stopped
T25 >> 1462709787.32594490 Calculate projections (434.05649s) started
T25 << 1462709792.29534197 Calculate projections (439.02589s) stopped
T25 << 1462709792.29551005 LCAO eigensolver (6292.51197s) stopped
T25 >> 1462709793.44275999 Density (1365.09598s) started
T25 >> 1462709793.44277406 Pseudo density (1111.80032s) started
T25 >> 1462709793.44412708 Calculate density matrix (974.60273s) started
T25 << 1462709806.15457797 Calculate density matrix (987.31318s) stopped
T25 >> 1462709806.15463591 Construct density (133.71720s) started
T25 << 1462709807.75883102 Construct density (135.32139s) stopped
T25 >> 1462709807.96233106 Symmetrize density (0.00629s) started
T25 << 1462709807.96239400 Symmetrize density (0.00635s) stopped
T25 << 1462709807.96444607 Pseudo density (1126.32199s) stopped
T25 >> 1462709807.96450400 Atomic density matrices (210.50799s) started
T25 << 1462709810.45314789 Atomic density matrices (212.99663s) stopped
T25 >> 1462709810.45319295 Multipole moments (0.70315s) started
T25 << 1462709810.46186590 Multipole moments (0.71182s) stopped
T25 >> 1462709810.46192002 Normalize (0.69592s) started
T25 << 1462709810.47016406 Normalize (0.70416s) stopped
T25 >> 1462709810.47029495 Mix (41.38063s) started
T25 << 1462709810.99482489 Mix (41.90516s) stopped
T25 << 1462709810.99490690 Density (1382.64812s) stopped
T25 >> 1462709810.99500704 Hamiltonian (4051.96001s) started
T25 >> 1462709810.99502492 vbar (2.29660s) started
T25 << 1462709811.02172303 vbar (2.32330s) stopped
T25 >> 1462709811.02184510 XC 3D grid (2408.63866s) started
T25 >> 1462709811.51994801 van der Waals (2327.21553s) started
T25 >> 1462709811.65425110 semilocal (507.76070s) started
T25 << 1462709819.36268091 semilocal (515.46913s) stopped
T25 >> 1462709819.44619298 redistribute (254.02735s) started
T25 << 1462709820.48099804 redistribute (255.06215s) stopped
T25 >> 1462709820.48104095 libvdwxc nonlocal (1548.52275s) started
T25 << 1462709839.01684189 libvdwxc nonlocal (1567.05855s) stopped
T25 >> 1462709839.01690793 redistribute (255.06218s) started
T25 << 1462709840.86815691 redistribute (256.91343s) stopped
T25 << 1462709840.86984205 van der Waals (2356.56542s) stopped
T25 << 1462709841.36653209 XC 3D grid (2438.98334s) stopped
T25 >> 1462709841.36657906 Poisson (738.94550s) started
T25 << 1462709849.90923691 Poisson (747.48816s) stopped
T25 >> 1462709849.90932298 Hartree integrate/restrict (31.22195s) started
T25 << 1462709849.95202708 Hartree integrate/restrict (31.26465s) stopped
T25 >> 1462709849.95209789 Hartree integrate/restrict (31.26470s) started
T25 << 1462709850.28348398 Hartree integrate/restrict (31.59608s) stopped
T25 >> 1462709850.34325194 Atomic (709.97932s) started
T25 >> 1462709850.35736394 XC Correction (530.55911s) started
T25 << 1462709858.01530695 XC Correction (538.21705s) stopped
T25 << 1462709859.33741593 Atomic (718.97349s) stopped
T25 >> 1462709859.33762288 Communicate (156.51132s) started
T25 << 1462709861.38270807 Communicate (158.55640s) stopped
T25 << 1462709861.38273811 Hamiltonian (4102.34774s) stopped
T25 >> 1462709861.38285899 LCAO eigensolver (6292.51199s) started
T25 >> 1462709861.38287497 Potential matrix (214.37087s) started
T25 << 1462709863.72047305 Potential matrix (216.70847s) stopped
T25 >> 1462709863.72057295 DistributedAtomicCorrection (89.24635s) started
T25 << 1462709864.67746997 DistributedAtomicCorrection (90.20325s) stopped
T25 >> 1462709864.67751908 Distribute overlap matrix (473.18980s) started
T25 >> 1462709864.67756891 blocked summation (462.44786s) started
T25 << 1462709869.93919396 blocked summation (467.70948s) stopped
T25 >> 1462709869.94877601 Scalapack redistribute (9.89085s) started
T25 << 1462709870.04249597 Scalapack redistribute (9.98457s) stopped
T25 << 1462709870.04260302 Distribute overlap matrix (478.55488s) stopped
T25 >> 1462709870.04684591 Blacs Orbital Layouts (5076.15624s) started
T25 >> 1462709870.05436993 General diagonalize (5055.01583s) started
T25 << 1462709925.65637493 General diagonalize (5110.61783s) stopped
T25 >> 1462709925.65642190 Redistribute coefs (1.65500s) started
T25 << 1462709925.69599605 Redistribute coefs (1.69457s) stopped
T25 >> 1462709925.69603705 Send coefs to domains (18.69459s) started
T25 << 1462709926.08377790 Send coefs to domains (19.08233s) stopped
T25 << 1462709926.08404398 Blacs Orbital Layouts (5132.19344s) stopped
T25 >> 1462709926.08407307 Calculate projections (439.02594s) started
T25 << 1462709931.05723691 Calculate projections (443.99910s) stopped
T25 << 1462709931.05741405 LCAO eigensolver (6362.18654s) stopped
T25 >> 1462709932.20388007 Density (1382.64814s) started
T25 >> 1462709932.20389509 Pseudo density (1126.32204s) started
T25 >> 1462709932.20520711 Calculate density matrix (987.31321s) started
T25 << 1462709945.47151494 Calculate density matrix (1000.57952s) stopped
T25 >> 1462709945.47157097 Construct density (135.32144s) started
T25 << 1462709947.07311511 Construct density (136.92298s) stopped
T25 >> 1462709947.10158205 Symmetrize density (0.00637s) started
T25 << 1462709947.10164499 Symmetrize density (0.00644s) stopped
T25 << 1462709947.10372210 Pseudo density (1141.22186s) stopped
T25 >> 1462709947.10378289 Atomic density matrices (212.99666s) started
T25 << 1462709949.78895211 Atomic density matrices (215.68183s) stopped
T25 >> 1462709949.78900003 Multipole moments (0.71184s) started
T25 << 1462709949.79692292 Multipole moments (0.71977s) stopped
T25 >> 1462709949.79697800 Normalize (0.70428s) started
T25 << 1462709949.80545306 Normalize (0.71276s) stopped
T25 >> 1462709949.80549908 Mix (41.90524s) started
T25 << 1462709950.33577609 Mix (42.43552s) stopped
T25 << 1462709950.33586597 Density (1400.78013s) stopped
T25 >> 1462709950.33599901 Hamiltonian (4102.34776s) started
T25 >> 1462709950.33601809 vbar (2.32337s) started
T25 << 1462709950.36844802 vbar (2.35580s) stopped
T25 >> 1462709950.36856794 XC 3D grid (2438.98338s) started
T25 >> 1462709950.87127709 van der Waals (2356.56553s) started
T25 >> 1462709951.00517702 semilocal (515.46923s) started
T25 << 1462709958.95013690 semilocal (523.41419s) stopped
T25 >> 1462709959.01197696 redistribute (256.91352s) started
T25 << 1462709959.92214894 redistribute (257.82369s) stopped
T25 >> 1462709959.92219090 libvdwxc nonlocal (1567.05860s) started
T25 << 1462709979.50936508 libvdwxc nonlocal (1586.64577s) stopped
T25 >> 1462709979.50943589 redistribute (257.82373s) started
T25 << 1462709981.68642592 redistribute (260.00072s) stopped
T25 << 1462709981.68801403 van der Waals (2387.38226s) stopped
T25 << 1462709982.18266010 XC 3D grid (2470.79747s) stopped
T25 >> 1462709982.18272400 Poisson (747.48822s) started
T25 << 1462709988.22944593 Poisson (753.53494s) stopped
T25 >> 1462709988.22958708 Hartree integrate/restrict (31.59612s) started
T25 << 1462709988.25975800 Hartree integrate/restrict (31.62629s) stopped
T25 >> 1462709988.25981808 Hartree integrate/restrict (31.62633s) started
T25 << 1462709988.64231491 Hartree integrate/restrict (32.00882s) stopped
T25 >> 1462709988.70073295 Atomic (718.97351s) started
T25 >> 1462709988.71493506 XC Correction (538.21707s) started
T25 << 1462709996.35051489 XC Correction (545.85265s) stopped
T25 << 1462709997.66562891 Atomic (727.93840s) stopped
T25 >> 1462709997.66590405 Communicate (158.55642s) started
T25 << 1462709999.75499392 Communicate (160.64551s) stopped
T25 << 1462709999.75502110 Hamiltonian (4151.76678s) stopped
T25 >> 1462709999.75511503 LCAO eigensolver (6362.18656s) started
T25 >> 1462709999.75513005 Potential matrix (216.70853s) started
T25 << 1462710002.10221910 Potential matrix (219.05562s) stopped
T25 >> 1462710002.10231900 DistributedAtomicCorrection (90.20329s) started
T25 << 1462710003.09924102 DistributedAtomicCorrection (91.20021s) stopped
T25 >> 1462710003.09935093 Distribute overlap matrix (478.55490s) started
T25 >> 1462710003.09937596 blocked summation (467.70951s) started
T25 << 1462710008.43135595 blocked summation (473.04149s) stopped
T25 >> 1462710008.44103789 Scalapack redistribute (9.98463s) started
T25 << 1462710008.58185697 Scalapack redistribute (10.12545s) stopped
T25 << 1462710008.58197403 Distribute overlap matrix (484.03752s) stopped
T25 >> 1462710008.58637810 Blacs Orbital Layouts (5132.19346s) started
T25 >> 1462710008.59514904 General diagonalize (5110.61787s) started
T25 << 1462710065.65339494 General diagonalize (5167.67612s) stopped
T25 >> 1462710065.65344501 Redistribute coefs (1.69460s) started
T25 << 1462710065.67995691 Redistribute coefs (1.72111s) stopped
T25 >> 1462710065.67999601 Send coefs to domains (19.08237s) started
T25 << 1462710066.06953907 Send coefs to domains (19.47191s) stopped
T25 << 1462710066.06987500 Blacs Orbital Layouts (5189.67696s) stopped
T25 >> 1462710066.06990290 Calculate projections (443.99916s) started
T25 << 1462710070.99758792 Calculate projections (448.92684s) stopped
T25 << 1462710070.99779105 LCAO eigensolver (6433.42924s) stopped
T25 >> 1462710072.12383604 Density (1400.78014s) started
T25 >> 1462710072.12385011 Pseudo density (1141.22192s) started
T25 >> 1462710072.12596202 Calculate density matrix (1000.57956s) started
T25 << 1462710084.92452312 Calculate density matrix (1013.37812s) stopped
T25 >> 1462710084.92458296 Construct density (136.92304s) started
T25 << 1462710086.53698993 Construct density (138.53544s) stopped
T25 >> 1462710086.55184388 Symmetrize density (0.00645s) started
T25 << 1462710086.55193496 Symmetrize density (0.00654s) stopped
T25 << 1462710086.55430102 Pseudo density (1155.65237s) stopped
T25 >> 1462710086.55435491 Atomic density matrices (215.68185s) started
T25 << 1462710089.23189592 Atomic density matrices (218.35940s) stopped
T25 >> 1462710089.23194003 Multipole moments (0.71978s) started
T25 << 1462710089.24087596 Multipole moments (0.72872s) stopped
T25 >> 1462710089.24092698 Normalize (0.71279s) started
T25 << 1462710089.25672007 Normalize (0.72858s) stopped
T25 >> 1462710089.25678396 Mix (42.43560s) started
T25 << 1462710089.82318401 Mix (43.00200s) stopped
T25 << 1462710089.82325196 Density (1418.47956s) stopped
T25 >> 1462710089.82335591 Hamiltonian (4151.76679s) started
T25 >> 1462710089.82337403 vbar (2.35587s) started
T25 << 1462710089.84578204 vbar (2.37827s) stopped
T25 >> 1462710089.84588289 XC 3D grid (2470.79753s) started
T25 >> 1462710090.34841490 van der Waals (2387.38236s) started
T25 >> 1462710090.47968602 semilocal (523.41425s) started
T25 << 1462710097.56326294 semilocal (530.49783s) stopped
T25 >> 1462710097.64998388 redistribute (260.00083s) started
T25 << 1462710099.49657202 redistribute (261.84742s) stopped
T25 >> 1462710099.49661589 libvdwxc nonlocal (1586.64583s) started
T25 << 1462710119.01391697 libvdwxc nonlocal (1606.16313s) stopped
T25 >> 1462710119.01398897 redistribute (261.84745s) started
T25 << 1462710120.69687390 redistribute (263.53034s) stopped
T25 << 1462710120.69894600 van der Waals (2417.73289s) stopped
T25 << 1462710121.19495201 XC 3D grid (2502.14659s) stopped
T25 >> 1462710121.19499612 Poisson (753.53505s) started
T25 << 1462710125.69059896 Poisson (758.03066s) stopped
T25 >> 1462710125.69069290 Hartree integrate/restrict (32.00885s) started
T25 << 1462710125.73466492 Hartree integrate/restrict (32.05283s) stopped
T25 >> 1462710125.73479891 Hartree integrate/restrict (32.05292s) started
T25 << 1462710126.08706808 Hartree integrate/restrict (32.40519s) stopped
T25 >> 1462710126.14524007 Atomic (727.93842s) started
T25 >> 1462710126.15923810 XC Correction (545.85268s) started
T25 << 1462710133.81105590 XC Correction (553.50450s) stopped
T25 << 1462710135.14802098 Atomic (736.94121s) stopped
T25 >> 1462710135.14821601 Communicate (160.64553s) started
T25 << 1462710137.19048095 Communicate (162.68779s) stopped
T25 << 1462710137.19050694 Hamiltonian (4199.13394s) stopped
T25 >> 1462710137.19058800 LCAO eigensolver (6433.42926s) started
T25 >> 1462710137.19060302 Potential matrix (219.05567s) started
T25 << 1462710139.52376795 Potential matrix (221.38884s) stopped
T25 >> 1462710139.52385902 DistributedAtomicCorrection (91.20025s) started
T25 << 1462710140.50927901 DistributedAtomicCorrection (92.18567s) stopped
T25 >> 1462710140.50938106 Distribute overlap matrix (484.03754s) started
T25 >> 1462710140.50940490 blocked summation (473.04152s) started
T25 << 1462710145.83577895 blocked summation (478.36790s) stopped
T25 >> 1462710145.84563899 Scalapack redistribute (10.12552s) started
T25 << 1462710145.93951797 Scalapack redistribute (10.21940s) stopped
T25 << 1462710145.93961596 Distribute overlap matrix (489.46778s) stopped
T25 >> 1462710145.94421196 Blacs Orbital Layouts (5189.67697s) started
T25 >> 1462710145.95184112 General diagonalize (5167.67616s) started
T25 << 1462710202.58714604 General diagonalize (5224.31147s) stopped
T25 >> 1462710202.58719492 Redistribute coefs (1.72114s) started
T25 << 1462710202.61335206 Redistribute coefs (1.74730s) stopped
T25 >> 1462710202.61339211 Send coefs to domains (19.47196s) started
T25 << 1462710203.09943795 Send coefs to domains (19.95800s) stopped
T25 << 1462710203.09985495 Blacs Orbital Layouts (5246.83262s) stopped
T25 >> 1462710203.09988403 Calculate projections (448.92690s) started
T25 << 1462710208.07301092 Calculate projections (453.90002s) stopped
T25 << 1462710208.07321000 LCAO eigensolver (6504.31188s) stopped
T25 >> 1462710209.15200591 Density (1418.47958s) started
T25 >> 1462710209.15202093 Pseudo density (1155.65241s) started
T25 >> 1462710209.15336895 Calculate density matrix (1013.37816s) started
T25 << 1462710221.92654109 Calculate density matrix (1026.15133s) stopped
T25 >> 1462710221.92659497 Construct density (138.53550s) started
T25 << 1462710223.52887988 Construct density (140.13778s) stopped
T25 >> 1462710223.54206705 Symmetrize density (0.00656s) started
T25 << 1462710223.54213095 Symmetrize density (0.00663s) stopped
T25 << 1462710223.54421091 Pseudo density (1170.04460s) stopped
T25 >> 1462710223.54427195 Atomic density matrices (218.35942s) started
T25 << 1462710226.23386502 Atomic density matrices (221.04901s) stopped
T25 >> 1462710226.23390889 Multipole moments (0.72874s) started
T25 << 1462710226.24279690 Multipole moments (0.73763s) stopped
T25 >> 1462710226.24285007 Normalize (0.72863s) started
T25 << 1462710226.25109291 Normalize (0.73687s) stopped
T25 >> 1462710226.25114298 Mix (43.00207s) started
T25 << 1462710226.78999805 Mix (43.54092s) stopped
T25 << 1462710226.79007697 Density (1436.11765s) stopped
T25 >> 1462710226.79017496 Hamiltonian (4199.13395s) started
T25 >> 1462710226.79019594 vbar (2.37833s) started
T25 << 1462710226.82291698 vbar (2.41106s) stopped
T25 >> 1462710226.82305002 XC 3D grid (2502.14663s) started
T25 >> 1462710227.31339598 van der Waals (2417.73300s) started
T25 >> 1462710227.44580603 semilocal (530.49795s) started
T25 << 1462710235.50009894 semilocal (538.55224s) stopped
T25 >> 1462710235.57683611 redistribute (263.53047s) started
T25 << 1462710236.58895707 redistribute (264.54259s) stopped
T25 >> 1462710236.58900404 libvdwxc nonlocal (1606.16318s) started
T25 << 1462710255.92957211 libvdwxc nonlocal (1625.50375s) stopped
T25 >> 1462710255.92964411 redistribute (264.54262s) started
T25 << 1462710257.95837998 redistribute (266.57136s) stopped
T25 << 1462710257.96024108 van der Waals (2448.37984s) stopped
T25 << 1462710258.57195091 XC 3D grid (2533.89553s) stopped
T25 >> 1462710258.57202005 Poisson (758.03072s) started
T25 << 1462710263.06199408 Poisson (762.52070s) stopped
T25 >> 1462710263.06212997 Hartree integrate/restrict (32.40523s) started
T25 << 1462710263.09137392 Hartree integrate/restrict (32.43447s) stopped
T25 >> 1462710263.09149790 Hartree integrate/restrict (32.43456s) started
T25 << 1462710263.47761798 Hartree integrate/restrict (32.82068s) stopped
T25 >> 1462710263.53340912 Atomic (736.94123s) started
T25 >> 1462710263.54735208 XC Correction (553.50452s) started
T25 << 1462710271.13439798 XC Correction (561.09156s) stopped
T25 << 1462710272.37159610 Atomic (745.77941s) stopped
T25 >> 1462710272.37178898 Communicate (162.68781s) started
T25 << 1462710274.58150411 Communicate (164.89752s) stopped
T25 << 1462710274.58152890 Hamiltonian (4246.92531s) stopped
T25 >> 1462710274.58160996 LCAO eigensolver (6504.31189s) started
T25 >> 1462710274.58162403 Potential matrix (221.38889s) started
T25 << 1462710276.93159103 Potential matrix (223.73886s) stopped
T25 >> 1462710276.93167996 DistributedAtomicCorrection (92.18571s) started
T25 << 1462710277.92091703 DistributedAtomicCorrection (93.17495s) stopped
T25 >> 1462710277.92102194 Distribute overlap matrix (489.46779s) started
T25 >> 1462710277.92104602 blocked summation (478.36793s) started
T25 << 1462710283.16729403 blocked summation (483.61418s) stopped
T25 >> 1462710283.17764902 Scalapack redistribute (10.21945s) started
T25 << 1462710283.29189205 Scalapack redistribute (10.33370s) stopped
T25 << 1462710283.29200196 Distribute overlap matrix (494.83877s) stopped
T25 >> 1462710283.29723501 Blacs Orbital Layouts (5246.83264s) started
T25 >> 1462710283.30499601 General diagonalize (5224.31151s) started
T25 << 1462710340.58047605 General diagonalize (5281.58699s) stopped
T25 >> 1462710340.58052301 Redistribute coefs (1.74733s) started
T25 << 1462710340.59742498 Redistribute coefs (1.76423s) stopped
T25 >> 1462710340.59747100 Send coefs to domains (19.95804s) started
T25 << 1462710340.68571997 Send coefs to domains (20.04629s) stopped
T25 << 1462710340.68604803 Blacs Orbital Layouts (5304.22145s) stopped
T25 >> 1462710340.68607497 Calculate projections (453.90008s) started
T25 << 1462710345.63339996 Calculate projections (458.84741s) stopped
T25 << 1462710345.63373208 LCAO eigensolver (6575.36402s) stopped
T25 << 1462710346.78041005 SCF-cycle (12388.54799s) stopped
T25 >> 1462710349.48216391 Force calculation (689.37138s) started
T25 >> 1462710349.48224306 LCAO forces (619.03752s) started
T25 >> 1462710349.48260808 Initial (0.00018s) started
T25 << 1462710349.48261905 Initial (0.00019s) stopped
T25 >> 1462710349.48822308 Get density matrix (288.04500s) started
T25 << 1462710358.93099689 Get density matrix (297.48778s) stopped
T25 >> 1462710358.93104696 Potential (100.10528s) started
T25 << 1462710371.12011695 Potential (112.29435s) stopped
T25 >> 1462710371.12016892 Get density matrix (297.48782s) started
T25 << 1462710398.11667109 Get density matrix (324.48432s) stopped
T25 >> 1462710398.11673188 Prepare TCI loop (19.42735s) started
T25 >> 1462710398.11732411 Get neighbors (17.52645s) started
T25 << 1462710400.31512308 Get neighbors (19.72425s) stopped
T25 >> 1462710400.31609392 broadcast dH (1.89270s) started
T25 << 1462710400.52257490 broadcast dH (2.09918s) stopped
T25 << 1462710400.52261901 Prepare TCI loop (21.83324s) stopped
T25 >> 1462710400.52263808 Not so complicated loop (82.47211s) started
T25 << 1462710410.91025496 Not so complicated loop (92.85972s) stopped
T25 >> 1462710411.02573395 Complicated loop (128.00931s) started
T25 << 1462710427.10232496 Complicated loop (144.08590s) stopped
T25 >> 1462710427.10602093 Wait for sum (0.00083s) started
T25 << 1462710427.10611105 Wait for sum (0.00092s) stopped
T25 << 1462710427.10612512 LCAO forces (696.66140s) stopped
T25 << 1462710436.31152892 Force calculation (776.20075s) stopped
T25 >> 1462710436.32897401 Initialization (1039.68955s) started
T25 << 1462710436.32916307 Initialization (1039.68974s) stopped
T25 >> 1462710436.32940888 Initialization (1039.68976s) started
T25 << 1462710436.32955098 Initialization (1039.68990s) stopped
T25 >> 1462710436.32968998 Initialization (1039.68991s) started
T25 << 1462710436.32983208 Initialization (1039.69006s) stopped
T25 >> 1462710459.76321006 Initialization (1039.69007s) started
T25 >> 1462710459.97075891 Basic WFS set positions (1.04618s) started
T25 >> 1462710459.97077990 Redistribute (0.17035s) started
T25 << 1462710459.99517107 Redistribute (0.19474s) stopped
T25 << 1462710460.11078501 Basic WFS set positions (1.18620s) stopped
T25 >> 1462710460.11081290 Basis functions set positions (16.29321s) started
T25 << 1462710462.05057597 Basis functions set positions (18.23298s) stopped
T25 >> 1462710462.05247688 TCI: Calculate S, T, P (208.11935s) started
T25 << 1462710486.70940399 TCI: Calculate S, T, P (232.77628s) stopped
T25 >> 1462710486.70951009 blocked summation (147.94043s) started
T25 << 1462710504.51328802 blocked summation (165.74421s) stopped
T25 >> 1462710504.52541590 Scalapack redistribute (2.47890s) started
T25 << 1462710504.63421202 Scalapack redistribute (2.58769s) stopped
T25 >> 1462710504.63512206 blocked summation (165.74425s) started
T25 << 1462710505.95663691 blocked summation (167.06576s) stopped
T25 >> 1462710505.96599793 Scalapack redistribute (2.58775s) started
T25 << 1462710506.12450504 Scalapack redistribute (2.74626s) stopped
T25 >> 1462710506.12719989 Redistribute (0.42798s) started
T25 << 1462710506.12891603 Redistribute (0.42970s) stopped
T25 >> 1462710507.94180799 Redistribute (0.42973s) started
T25 << 1462710507.94292903 Redistribute (0.43085s) stopped
T25 >> 1462710507.96394897 LCAO WFS Initialize (637.03460s) started
T25 >> 1462710507.96399903 Density initialize from wavefunctions (118.02994s) started
T25 >> 1462710507.96909809 Calculate density matrix (80.66878s) started
T25 << 1462710518.03900003 Calculate density matrix (90.73868s) stopped
T25 >> 1462710518.03905892 Construct density (13.15307s) started
T25 << 1462710519.70807099 Construct density (14.82208s) stopped
T25 >> 1462710519.72130990 Symmetrize density (0.00064s) started
T25 << 1462710519.72136688 Symmetrize density (0.00070s) stopped
T25 << 1462710522.74582410 Density initialize from wavefunctions (132.81176s) stopped
T25 >> 1462710522.74657702 Hamiltonian (517.98305s) started
T25 >> 1462710522.74659705 vbar (0.22185s) started
T25 << 1462710522.77197695 vbar (0.24723s) stopped
T25 >> 1462710522.77205992 XC 3D grid (262.52132s) started
T25 >> 1462710523.30050707 van der Waals (253.54868s) started
T25 >> 1462710523.43629599 semilocal (56.50837s) started
T25 << 1462710529.89600992 semilocal (62.96808s) stopped
T25 >> 1462710529.95732307 redistribute (25.39756s) started
T25 << 1462710531.85208511 redistribute (27.29232s) stopped
T25 >> 1462710531.85215497 libvdwxc nonlocal (169.83698s) started
T25 << 1462710551.14533210 libvdwxc nonlocal (189.13015s) stopped
T25 >> 1462710551.14537907 redistribute (27.29236s) started
T25 << 1462710552.82479906 redistribute (28.97178s) stopped
T25 << 1462710552.82659411 van der Waals (283.07476s) stopped
T25 << 1462710553.31408691 XC 3D grid (293.06334s) stopped
T25 >> 1462710553.31412792 Poisson (146.03378s) started
T25 << 1462710566.46018291 Poisson (159.17984s) stopped
T25 >> 1462710566.46027708 Hartree integrate/restrict (3.51868s) started
T25 << 1462710566.52531791 Hartree integrate/restrict (3.58372s) stopped
T25 >> 1462710566.52538204 Hartree integrate/restrict (3.58376s) started
T25 << 1462710566.84378099 Hartree integrate/restrict (3.90216s) stopped
T25 >> 1462710566.89893293 Atomic (90.18595s) started
T25 >> 1462710566.91197109 XC Correction (65.67722s) started
T25 << 1462710574.72164702 XC Correction (73.48689s) stopped
T25 << 1462710578.44617009 Atomic (101.73319s) stopped
T25 >> 1462710578.44654012 Communicate (14.91948s) started
T25 << 1462710578.44700789 Communicate (14.91994s) stopped
T25 << 1462710578.44703388 Hamiltonian (573.68351s) stopped
T25 << 1462710578.44708395 LCAO WFS Initialize (707.51774s) stopped
T25 << 1462710578.45903301 Initialization (1158.38590s) stopped
T25 >> 1462710578.48647189 SCF-cycle (12388.54801s) started
T25 >> 1462710578.48651099 LCAO eigensolver (6575.36403s) started
T25 >> 1462710578.48652411 Potential matrix (223.73891s) started
T25 << 1462710580.88538194 Potential matrix (226.13777s) stopped
T25 >> 1462710580.88545203 DistributedAtomicCorrection (93.17498s) started
T25 << 1462710582.04317999 DistributedAtomicCorrection (94.33271s) stopped
T25 >> 1462710582.04322290 Distribute overlap matrix (494.83880s) started
T25 >> 1462710582.04327607 blocked summation (483.61422s) started
T25 << 1462710587.32977891 blocked summation (488.90072s) stopped
T25 >> 1462710587.33923602 Scalapack redistribute (10.33375s) started
T25 << 1462710587.45281792 Scalapack redistribute (10.44733s) stopped
T25 << 1462710587.45291495 Distribute overlap matrix (500.24849s) stopped
T25 >> 1462710587.45786190 Blacs Orbital Layouts (5304.22147s) started
T25 >> 1462710587.46639609 General diagonalize (5281.58703s) started
T25 << 1462710643.77477288 General diagonalize (5337.89540s) stopped
T25 >> 1462710643.77482009 Redistribute coefs (1.76427s) started
T25 << 1462710643.79192805 Redistribute coefs (1.78138s) stopped
T25 >> 1462710643.79197001 Send coefs to domains (20.04632s) started
T25 << 1462710644.10901904 Send coefs to domains (20.36337s) stopped
T25 << 1462710644.10950708 Blacs Orbital Layouts (5360.87311s) stopped
T25 >> 1462710644.10954309 Calculate projections (458.84746s) started
T25 << 1462710649.18509102 Calculate projections (463.92301s) stopped
T25 << 1462710649.18543100 LCAO eigensolver (6646.06295s) stopped
T25 >> 1462710650.06412196 Density (1436.11767s) started
T25 >> 1462710650.06413698 Pseudo density (1170.04465s) started
T25 >> 1462710650.06542301 Calculate density matrix (1026.15137s) started
T25 << 1462710662.64140010 Calculate density matrix (1038.72734s) stopped
T25 >> 1462710662.64145589 Construct density (140.13784s) started
T25 << 1462710664.31028199 Construct density (141.80667s) stopped
T25 >> 1462710664.32305789 Symmetrize density (0.00665s) started
T25 << 1462710664.32312298 Symmetrize density (0.00671s) stopped
T25 << 1462710664.32516789 Pseudo density (1184.30568s) stopped
T25 >> 1462710664.32522607 Atomic density matrices (221.04904s) started
T25 << 1462710666.97625208 Atomic density matrices (223.70007s) stopped
T25 >> 1462710666.97629595 Multipole moments (0.73764s) started
T25 << 1462710666.98586607 Multipole moments (0.74721s) stopped
T25 >> 1462710666.98590302 Normalize (0.73691s) started
T25 << 1462710666.99275208 Normalize (0.74376s) stopped
T25 >> 1462710666.99285603 Mix (43.54100s) started
T25 << 1462710667.40798998 Mix (43.95613s) stopped
T25 << 1462710667.40809393 Density (1453.46164s) stopped
T25 >> 1462710667.40826392 Hamiltonian (4246.92532s) started
T25 >> 1462710667.40828395 vbar (2.41113s) started
T25 << 1462710667.43694901 vbar (2.43980s) stopped
T25 >> 1462710667.43705106 XC 3D grid (2533.89559s) started
T25 >> 1462710667.94212508 van der Waals (2448.37995s) started
T25 >> 1462710668.07642603 semilocal (538.55233s) started
T25 << 1462710674.63688898 semilocal (545.11279s) stopped
T25 >> 1462710674.70170403 redistribute (266.57149s) started
T25 << 1462710676.41170311 redistribute (268.28149s) stopped
T25 >> 1462710676.41174889 libvdwxc nonlocal (1625.50381s) started
T25 << 1462710695.47514510 libvdwxc nonlocal (1644.56720s) stopped
T25 >> 1462710695.47521305 redistribute (268.28152s) started
T25 << 1462710697.24835491 redistribute (270.05466s) stopped
T25 << 1462710697.25061989 van der Waals (2477.68844s) stopped
T25 << 1462710697.73362994 XC 3D grid (2564.19217s) stopped
T25 >> 1462710697.73367405 Poisson (762.52081s) started
T25 << 1462710720.34495807 Poisson (785.13209s) stopped
T25 >> 1462710720.34505105 Hartree integrate/restrict (32.82071s) started
T25 << 1462710720.39384007 Hartree integrate/restrict (32.86950s) stopped
T25 >> 1462710720.39389396 Hartree integrate/restrict (32.86954s) started
T25 << 1462710720.72707701 Hartree integrate/restrict (33.20272s) stopped
T25 >> 1462710720.78359199 Atomic (745.77943s) started
T25 >> 1462710720.79613996 XC Correction (561.09158s) started
T25 << 1462710728.19628096 XC Correction (568.49172s) stopped
T25 << 1462710731.44683790 Atomic (756.44268s) stopped
T25 >> 1462710731.44708800 Communicate (164.89754s) started
T25 << 1462710732.47710109 Communicate (165.92755s) stopped
T25 << 1462710732.47712493 Hamiltonian (4311.99418s) stopped
T25 >> 1462710732.47719407 LCAO eigensolver (6646.06297s) started
T25 >> 1462710732.47720790 Potential matrix (226.13781s) started
T25 << 1462710734.87328005 Potential matrix (228.53388s) stopped
T25 >> 1462710734.87335992 DistributedAtomicCorrection (94.33275s) started
T25 << 1462710735.90392804 DistributedAtomicCorrection (95.36331s) stopped
T25 >> 1462710735.90398192 Distribute overlap matrix (500.24850s) started
T25 >> 1462710735.90404701 blocked summation (488.90075s) started
T25 << 1462710741.05777502 blocked summation (494.05448s) stopped
T25 >> 1462710741.06777191 Scalapack redistribute (10.44738s) started
T25 << 1462710741.17336512 Scalapack redistribute (10.55298s) stopped
T25 << 1462710741.17344189 Distribute overlap matrix (505.51796s) stopped
T25 >> 1462710741.17841601 Blacs Orbital Layouts (5360.87314s) started
T25 >> 1462710741.18665504 General diagonalize (5337.89545s) started
T25 << 1462710798.41973305 General diagonalize (5395.12852s) stopped
T25 >> 1462710798.41978407 Redistribute coefs (1.78141s) started
T25 << 1462710798.44561601 Redistribute coefs (1.80724s) stopped
T25 >> 1462710798.44565797 Send coefs to domains (20.36341s) started
T25 << 1462710798.82471108 Send coefs to domains (20.74246s) stopped
T25 << 1462710798.82515097 Blacs Orbital Layouts (5418.51987s) stopped
T25 >> 1462710798.82518101 Calculate projections (463.92306s) started
T25 << 1462710803.90140796 Calculate projections (468.99929s) stopped
T25 << 1462710803.90177393 LCAO eigensolver (6717.48755s) stopped
T25 >> 1462710804.83606601 Density (1453.46166s) started
T25 >> 1462710804.83608198 Pseudo density (1184.30572s) started
T25 >> 1462710804.83735299 Calculate density matrix (1038.72738s) started
T25 << 1462710817.36955595 Calculate density matrix (1051.25959s) stopped
T25 >> 1462710817.36961198 Construct density (141.80672s) started
T25 << 1462710819.04286194 Construct density (143.47997s) stopped
T25 >> 1462710819.05537701 Symmetrize density (0.00673s) started
T25 << 1462710819.05543804 Symmetrize density (0.00679s) stopped
T25 << 1462710819.05748606 Pseudo density (1198.52713s) stopped
T25 >> 1462710819.05753994 Atomic density matrices (223.70009s) started
T25 << 1462710821.74687099 Atomic density matrices (226.38942s) stopped
T25 >> 1462710821.74691510 Multipole moments (0.74723s) started
T25 << 1462710821.75624895 Multipole moments (0.75657s) stopped
T25 >> 1462710821.75628591 Normalize (0.74385s) started
T25 << 1462710821.76301694 Normalize (0.75058s) stopped
T25 >> 1462710821.76308298 Mix (43.95623s) started
T25 << 1462710822.21594691 Mix (44.40910s) stopped
T25 << 1462710822.21604300 Density (1470.84163s) stopped
T25 >> 1462710822.21618795 Hamiltonian (4311.99420s) started
T25 >> 1462710822.21620488 vbar (2.43986s) started
T25 << 1462710822.24245501 vbar (2.46611s) stopped
T25 >> 1462710822.24258494 XC 3D grid (2564.19220s) started
T25 >> 1462710822.74285889 van der Waals (2477.68856s) started
T25 >> 1462710822.87572002 semilocal (545.11287s) started
T25 << 1462710829.27089691 semilocal (551.50805s) stopped
T25 >> 1462710829.39932704 redistribute (270.05479s) started
T25 << 1462710831.25432611 redistribute (271.90979s) stopped
T25 >> 1462710831.25436997 libvdwxc nonlocal (1644.56725s) started
T25 << 1462710850.74016309 libvdwxc nonlocal (1664.05305s) stopped
T25 >> 1462710850.74022698 redistribute (271.90982s) started
T25 << 1462710852.53066111 redistribute (273.70026s) stopped
T25 << 1462710852.53274894 van der Waals (2507.47845s) stopped
T25 << 1462710853.01285696 XC 3D grid (2594.96247s) stopped
T25 >> 1462710853.01289701 Poisson (785.13217s) started
T25 << 1462710867.35165191 Poisson (799.47092s) stopped
T25 >> 1462710867.35171604 Hartree integrate/restrict (33.20275s) started
T25 << 1462710867.40666103 Hartree integrate/restrict (33.25770s) stopped
T25 >> 1462710867.40670991 Hartree integrate/restrict (33.25773s) started
T25 << 1462710867.73218894 Hartree integrate/restrict (33.58321s) stopped
T25 >> 1462710867.78539610 Atomic (756.44270s) started
T25 >> 1462710867.79777288 XC Correction (568.49175s) started
T25 << 1462710874.75312495 XC Correction (575.44710s) stopped
T25 << 1462710877.76187110 Atomic (766.41917s) stopped
T25 >> 1462710877.76210308 Communicate (165.92757s) started
T25 << 1462710879.53138208 Communicate (167.69685s) stopped
T25 << 1462710879.53140593 Hamiltonian (4369.30941s) stopped
T25 >> 1462710879.53147197 LCAO eigensolver (6717.48757s) started
T25 >> 1462710879.53148508 Potential matrix (228.53392s) started
T25 << 1462710881.92913198 Potential matrix (230.93157s) stopped
T25 >> 1462710881.92920208 DistributedAtomicCorrection (95.36336s) started
T25 << 1462710883.01361299 DistributedAtomicCorrection (96.44777s) stopped
T25 >> 1462710883.01365590 Distribute overlap matrix (505.51797s) started
T25 >> 1462710883.01374602 blocked summation (494.05451s) started
T25 << 1462710888.16500807 blocked summation (499.20577s) stopped
T25 >> 1462710888.17433500 Scalapack redistribute (10.55303s) started
T25 << 1462710888.27611399 Scalapack redistribute (10.65481s) stopped
T25 << 1462710888.27619791 Distribute overlap matrix (510.78052s) stopped
T25 >> 1462710888.28105092 Blacs Orbital Layouts (5418.51989s) started
T25 >> 1462710888.28907704 General diagonalize (5395.12856s) started
T25 << 1462710945.01737094 General diagonalize (5451.85686s) stopped
T25 >> 1462710945.01741910 Redistribute coefs (1.80728s) started
T25 << 1462710945.04491591 Redistribute coefs (1.83477s) stopped
T25 >> 1462710945.04495502 Send coefs to domains (20.74250s) started
T25 << 1462710945.13702202 Send coefs to domains (20.83457s) stopped
T25 << 1462710945.13762808 Blacs Orbital Layouts (5475.37647s) stopped
T25 >> 1462710945.13766694 Calculate projections (468.99934s) started
T25 << 1462710950.24748802 Calculate projections (474.10916s) stopped
T25 << 1462710950.24786901 LCAO eigensolver (6788.20397s) stopped
T25 >> 1462710951.09722710 Density (1470.84166s) started
T25 >> 1462710951.09727097 Pseudo density (1198.52717s) started
T25 >> 1462710951.09881592 Calculate density matrix (1051.25962s) started
T25 << 1462710963.60973096 Calculate density matrix (1063.77054s) stopped
T25 >> 1462710963.60978603 Construct density (143.48002s) started
T25 << 1462710965.28148198 Construct density (145.15171s) stopped
T25 >> 1462710965.29561996 Symmetrize density (0.00681s) started
T25 << 1462710965.29568696 Symmetrize density (0.00687s) stopped
T25 << 1462710965.29802299 Pseudo density (1212.72792s) stopped
T25 >> 1462710965.29808593 Atomic density matrices (226.38945s) started
T25 << 1462710967.94443989 Atomic density matrices (229.03580s) stopped
T25 >> 1462710967.94448495 Multipole moments (0.75658s) started
T25 << 1462710967.95119309 Multipole moments (0.76329s) stopped
T25 >> 1462710967.95123005 Normalize (0.75063s) started
T25 << 1462710967.95816588 Normalize (0.75756s) stopped
T25 >> 1462710967.95820999 Mix (44.40919s) started
T25 << 1462710968.47057104 Mix (44.92155s) stopped
T25 << 1462710968.47065401 Density (1488.21508s) stopped
T25 >> 1462710968.47080803 Hamiltonian (4369.30943s) started
T25 >> 1462710968.47082710 vbar (2.46618s) started
T25 << 1462710968.50240803 vbar (2.49776s) stopped
T25 >> 1462710968.50255489 XC 3D grid (2594.96250s) started
T25 >> 1462710969.00478697 van der Waals (2507.47855s) started
T25 >> 1462710969.13401103 semilocal (551.50815s) started
T25 << 1462710976.24882793 semilocal (558.62297s) stopped
T25 >> 1462710976.31343603 redistribute (273.70032s) started
T25 << 1462710977.35546589 redistribute (274.74235s) stopped
T25 >> 1462710977.35551310 libvdwxc nonlocal (1664.05310s) started
T25 << 1462710996.18311405 libvdwxc nonlocal (1682.88070s) stopped
T25 >> 1462710996.18318701 redistribute (274.74238s) started
T25 << 1462710998.14297199 redistribute (276.70216s) stopped
T25 << 1462710998.14503789 van der Waals (2536.61880s) stopped
T25 << 1462710998.62809110 XC 3D grid (2625.08804s) stopped
T25 >> 1462710998.62813210 Poisson (799.47097s) started
T25 << 1462711017.08378696 Poisson (817.92662s) stopped
T25 >> 1462711017.08392096 Hartree integrate/restrict (33.58325s) started
T25 << 1462711017.12288499 Hartree integrate/restrict (33.62222s) stopped
T25 >> 1462711017.12304711 Hartree integrate/restrict (33.62234s) started
T25 << 1462711017.47500205 Hartree integrate/restrict (33.97429s) stopped
T25 >> 1462711017.52538705 Atomic (766.41919s) started
T25 >> 1462711017.53808689 XC Correction (575.44712s) started
T25 << 1462711024.49713397 XC Correction (582.40617s) stopped
T25 << 1462711027.52979207 Atomic (776.42360s) stopped
T25 >> 1462711027.53006101 Communicate (167.69686s) started
T25 << 1462711029.34906292 Communicate (169.51586s) stopped
T25 << 1462711029.34908891 Hamiltonian (4430.18771s) stopped
T25 >> 1462711029.34916592 LCAO eigensolver (6788.20399s) started
T25 >> 1462711029.34917998 Potential matrix (230.93161s) started
T25 << 1462711031.75769210 Potential matrix (233.34012s) stopped
T25 >> 1462711031.75778508 DistributedAtomicCorrection (96.44781s) started
T25 << 1462711032.83197999 DistributedAtomicCorrection (97.52200s) stopped
T25 >> 1462711032.83207703 Distribute overlap matrix (510.78053s) started
T25 >> 1462711032.83210206 blocked summation (499.20581s) started
T25 << 1462711037.96546006 blocked summation (504.33916s) stopped
T25 >> 1462711037.97594190 Scalapack redistribute (10.65487s) started
T25 << 1462711038.08125901 Scalapack redistribute (10.76019s) stopped
T25 << 1462711038.08131409 Distribute overlap matrix (516.02977s) stopped
T25 >> 1462711038.08687496 Blacs Orbital Layouts (5475.37649s) started
T25 >> 1462711038.09491706 General diagonalize (5451.85690s) started
T25 << 1462711094.67314506 General diagonalize (5508.43512s) stopped
T25 >> 1462711094.67319012 Redistribute coefs (1.83480s) started
T25 << 1462711094.69014597 Redistribute coefs (1.85176s) stopped
T25 >> 1462711094.69018888 Send coefs to domains (20.83460s) started
T25 << 1462711094.78296399 Send coefs to domains (20.92738s) stopped
T25 << 1462711094.78348303 Blacs Orbital Layouts (5532.07310s) stopped
T25 >> 1462711094.78351307 Calculate projections (474.10922s) started
T25 << 1462711099.90028501 Calculate projections (479.22599s) stopped
T25 << 1462711099.90060711 LCAO eigensolver (6858.75543s) stopped
T25 >> 1462711100.74467111 Density (1488.21510s) started
T25 >> 1462711100.74468708 Pseudo density (1212.72798s) started
T25 >> 1462711100.74625993 Calculate density matrix (1063.77057s) started
T25 << 1462711113.20844603 Calculate density matrix (1076.23276s) stopped
T25 >> 1462711113.20850301 Construct density (145.15177s) started
T25 << 1462711114.87850308 Construct density (146.82177s) stopped
T25 >> 1462711114.89261389 Symmetrize density (0.00689s) started
T25 << 1462711114.89268208 Symmetrize density (0.00696s) stopped
T25 << 1462711114.89504790 Pseudo density (1226.87834s) stopped
T25 >> 1462711114.89510798 Atomic density matrices (229.03583s) started
T25 << 1462711117.55757594 Atomic density matrices (231.69830s) stopped
T25 >> 1462711117.55762005 Multipole moments (0.76331s) started
T25 << 1462711117.56613588 Multipole moments (0.77182s) stopped
T25 >> 1462711117.56617403 Normalize (0.75759s) started
T25 << 1462711117.57628608 Normalize (0.76771s) stopped
T25 >> 1462711117.57638907 Mix (44.92163s) started
T25 << 1462711118.09595490 Mix (45.44120s) stopped
T25 << 1462711118.09605408 Density (1505.56648s) stopped
T25 >> 1462711118.09619689 Hamiltonian (4430.18772s) started
T25 >> 1462711118.09621692 vbar (2.49783s) started
T25 << 1462711118.12590694 vbar (2.52752s) stopped
T25 >> 1462711118.12601709 XC 3D grid (2625.08807s) started
T25 >> 1462711118.62368608 van der Waals (2536.61890s) started
T25 >> 1462711118.75548005 semilocal (558.62301s) started
T25 << 1462711126.12319803 semilocal (565.99072s) stopped
T25 >> 1462711126.19520402 redistribute (276.70226s) started
T25 << 1462711127.14469504 redistribute (277.65175s) stopped
T25 >> 1462711127.14473701 libvdwxc nonlocal (1682.88075s) started
T25 << 1462711146.22609305 libvdwxc nonlocal (1701.96211s) stopped
T25 >> 1462711146.22613502 redistribute (277.65178s) started
T25 << 1462711148.30435991 redistribute (279.73001s) stopped
T25 << 1462711148.30616212 van der Waals (2566.30138s) stopped
T25 << 1462711148.79773092 XC 3D grid (2655.75979s) stopped
T25 >> 1462711148.79779911 Poisson (817.92673s) started
T25 << 1462711167.43749309 Poisson (836.56642s) stopped
T25 >> 1462711167.43755102 Hartree integrate/restrict (33.97434s) started
T25 << 1462711167.48038602 Hartree integrate/restrict (34.01718s) stopped
T25 >> 1462711167.48045802 Hartree integrate/restrict (34.01722s) started
T25 << 1462711167.83570194 Hartree integrate/restrict (34.37246s) stopped
T25 >> 1462711167.89336896 Atomic (776.42362s) started
T25 >> 1462711167.90600395 XC Correction (582.40620s) started
T25 << 1462711174.90195894 XC Correction (589.40215s) stopped
T25 << 1462711177.96554804 Atomic (786.49580s) stopped
T25 >> 1462711177.96579194 Communicate (169.51588s) started
T25 << 1462711179.36231089 Communicate (170.91240s) stopped
T25 << 1462711179.36233711 Hamiltonian (4491.45386s) stopped
T25 >> 1462711179.36240697 LCAO eigensolver (6858.75545s) started
T25 >> 1462711179.36242008 Potential matrix (233.34018s) started
T25 << 1462711181.77395391 Potential matrix (235.75171s) stopped
T25 >> 1462711181.77403498 DistributedAtomicCorrection (97.52203s) started
T25 << 1462711182.84939599 DistributedAtomicCorrection (98.59739s) stopped
T25 >> 1462711182.84942889 Distribute overlap matrix (516.02978s) started
T25 >> 1462711182.84951711 blocked summation (504.33920s) started
T25 << 1462711187.94163299 blocked summation (509.43131s) stopped
T25 >> 1462711187.95101309 Scalapack redistribute (10.76022s) started
T25 << 1462711188.09701395 Scalapack redistribute (10.90622s) stopped
T25 << 1462711188.09706903 Distribute overlap matrix (521.27742s) stopped
T25 >> 1462711188.10347795 Blacs Orbital Layouts (5532.07312s) started
T25 >> 1462711188.11226511 General diagonalize (5508.43516s) started
T25 << 1462711242.46711802 General diagonalize (5562.79001s) stopped
T25 >> 1462711242.46716595 Redistribute coefs (1.85179s) started
T25 << 1462711242.48556900 Redistribute coefs (1.87020s) stopped
T25 >> 1462711242.48562407 Send coefs to domains (20.92742s) started
T25 << 1462711242.58673096 Send coefs to domains (21.02852s) stopped
T25 << 1462711242.58717394 Blacs Orbital Layouts (5586.55682s) stopped
T25 >> 1462711242.58720207 Calculate projections (479.22605s) started
T25 << 1462711247.70435405 Calculate projections (484.34320s) stopped
T25 << 1462711247.70467710 LCAO eigensolver (6927.09772s) stopped
T25 >> 1462711248.54825211 Density (1505.56650s) started
T25 >> 1462711248.54826689 Pseudo density (1226.87839s) started
T25 >> 1462711248.54978609 Calculate density matrix (1076.23279s) started
T25 << 1462711261.13089705 Calculate density matrix (1088.81391s) stopped
T25 >> 1462711261.13095188 Construct density (146.82183s) started
T25 << 1462711262.79994512 Construct density (148.49082s) stopped
T25 >> 1462711262.81369996 Symmetrize density (0.00698s) started
T25 << 1462711262.81376791 Symmetrize density (0.00704s) stopped
T25 << 1462711262.81612992 Pseudo density (1241.14625s) stopped
T25 >> 1462711262.81619096 Atomic density matrices (231.69832s) started
T25 << 1462711265.49024296 Atomic density matrices (234.37237s) stopped
T25 >> 1462711265.49028897 Multipole moments (0.77184s) started
T25 << 1462711265.49948907 Multipole moments (0.78104s) stopped
T25 >> 1462711265.49952698 Normalize (0.76779s) started
T25 << 1462711265.50970197 Normalize (0.77797s) stopped
T25 >> 1462711265.50979495 Mix (45.44129s) started
T25 << 1462711266.04462600 Mix (45.97613s) stopped
T25 << 1462711266.04470491 Density (1523.06295s) stopped
T25 >> 1462711266.04484892 Hamiltonian (4491.45387s) started
T25 >> 1462711266.04486704 vbar (2.52758s) started
T25 << 1462711266.07423306 vbar (2.55695s) stopped
T25 >> 1462711266.07436895 XC 3D grid (2655.75984s) started
T25 >> 1462711266.57493901 van der Waals (2566.30147s) started
T25 >> 1462711266.71182895 semilocal (565.99080s) started
T25 << 1462711273.73673201 semilocal (573.01571s) stopped
T25 >> 1462711273.80759811 redistribute (279.73011s) started
T25 << 1462711274.72956610 redistribute (280.65208s) stopped
T25 >> 1462711274.72960806 libvdwxc nonlocal (1701.96214s) started
T25 << 1462711293.49713111 libvdwxc nonlocal (1720.72966s) stopped
T25 >> 1462711293.49717307 redistribute (280.65211s) started
T25 << 1462711295.40615106 redistribute (282.56109s) stopped
T25 << 1462711295.40818501 van der Waals (2595.13471s) stopped
T25 << 1462711295.90405202 XC 3D grid (2685.58953s) stopped
T25 >> 1462711295.90409493 Poisson (836.56646s) started
T25 << 1462711309.91173697 Poisson (850.57411s) stopped
T25 >> 1462711309.91182899 Hartree integrate/restrict (34.37253s) started
T25 << 1462711309.95757103 Hartree integrate/restrict (34.41828s) stopped
T25 >> 1462711309.95763397 Hartree integrate/restrict (34.41832s) started
T25 << 1462711310.29712200 Hartree integrate/restrict (34.75781s) stopped
T25 >> 1462711310.35440493 Atomic (786.49581s) started
T25 >> 1462711310.36706996 XC Correction (589.40219s) started
T25 << 1462711317.42921495 XC Correction (596.46433s) stopped
T25 << 1462711319.86092997 Atomic (796.00234s) stopped
T25 >> 1462711319.86118007 Communicate (170.91241s) started
T25 << 1462711321.38577700 Communicate (172.43701s) stopped
T25 << 1462711321.38580298 Hamiltonian (4546.79483s) stopped
T25 >> 1462711321.38586998 LCAO eigensolver (6927.09773s) started
T25 >> 1462711321.38588405 Potential matrix (235.75176s) started
T25 << 1462711323.79671907 Potential matrix (238.16259s) stopped
T25 >> 1462711323.79681993 DistributedAtomicCorrection (98.59741s) started
T25 << 1462711324.86423111 DistributedAtomicCorrection (99.66482s) stopped
T25 >> 1462711324.86432791 Distribute overlap matrix (521.27743s) started
T25 >> 1462711324.86435390 blocked summation (509.43134s) started
T25 << 1462711330.01956105 blocked summation (514.58655s) stopped
T25 >> 1462711330.02979493 Scalapack redistribute (10.90626s) started
T25 << 1462711330.17942810 Scalapack redistribute (11.05590s) stopped
T25 << 1462711330.17952108 Distribute overlap matrix (526.59262s) stopped
T25 >> 1462711330.18682408 Blacs Orbital Layouts (5586.55684s) started
T25 >> 1462711330.19565392 General diagonalize (5562.79005s) started
T25 << 1462711385.97733808 General diagonalize (5618.57173s) stopped
T25 >> 1462711385.97738409 Redistribute coefs (1.87024s) started
T25 << 1462711385.99521399 Redistribute coefs (1.88807s) stopped
T25 >> 1462711385.99525809 Send coefs to domains (21.02855s) started
T25 << 1462711386.09270906 Send coefs to domains (21.12601s) stopped
T25 << 1462711386.09328604 Blacs Orbital Layouts (5642.46330s) stopped
T25 >> 1462711386.09331489 Calculate projections (484.34326s) started
T25 << 1462711391.16775990 Calculate projections (489.41770s) stopped
T25 << 1462711391.16811800 LCAO eigensolver (6996.87998s) stopped
T25 >> 1462711392.04722905 Density (1523.06297s) started
T25 >> 1462711392.04724407 Pseudo density (1241.14630s) started
T25 >> 1462711392.04852200 Calculate density matrix (1088.81394s) started
T25 << 1462711404.63345289 Calculate density matrix (1101.39887s) stopped
T25 >> 1462711404.63351107 Construct density (148.49088s) started
T25 << 1462711406.29860806 Construct density (150.15598s) stopped
T25 >> 1462711406.31140709 Symmetrize density (0.00706s) started
T25 << 1462711406.31146693 Symmetrize density (0.00712s) stopped
T25 << 1462711406.31349301 Pseudo density (1255.41255s) stopped
T25 >> 1462711406.31354499 Atomic density matrices (234.37240s) started
T25 << 1462711408.98050189 Atomic density matrices (237.03936s) stopped
T25 >> 1462711408.98054504 Multipole moments (0.78106s) started
T25 << 1462711408.98984790 Multipole moments (0.79036s) stopped
T25 >> 1462711408.98988390 Normalize (0.77804s) started
T25 << 1462711408.99658489 Normalize (0.78474s) stopped
T25 >> 1462711408.99664307 Mix (45.97620s) started
T25 << 1462711409.66435695 Mix (46.64392s) stopped
T25 << 1462711409.66441202 Density (1540.68015s) stopped
T25 >> 1462711409.66450191 Hamiltonian (4546.79484s) started
T25 >> 1462711409.66451693 vbar (2.55703s) started
T25 << 1462711409.68111992 vbar (2.57363s) stopped
T25 >> 1462711409.68119502 XC 3D grid (2685.58956s) started
T25 >> 1462711410.24785590 van der Waals (2595.13482s) started
T25 >> 1462711410.37066197 semilocal (573.01582s) started
T25 << 1462711417.03699708 semilocal (579.68215s) stopped
T25 >> 1462711417.15140700 redistribute (282.56121s) started
T25 << 1462711423.81376100 redistribute (289.22356s) stopped
T25 >> 1462711423.81380701 libvdwxc nonlocal (1720.72969s) started
T25 << 1462711442.83443689 libvdwxc nonlocal (1739.75032s) stopped
T25 >> 1462711442.83449697 redistribute (289.22359s) started
T25 << 1462711444.45485210 redistribute (290.84395s) stopped
T25 << 1462711444.45693803 van der Waals (2629.34391s) stopped
T25 << 1462711444.94485307 XC 3D grid (2720.85322s) stopped
T25 >> 1462711444.94489598 Poisson (850.57417s) started
T25 << 1462711452.18138695 Poisson (857.81066s) stopped
T25 >> 1462711452.18145990 Hartree integrate/restrict (34.75784s) started
T25 << 1462711452.23708510 Hartree integrate/restrict (34.81347s) stopped
T25 >> 1462711452.23716092 Hartree integrate/restrict (34.81352s) started
T25 << 1462711452.55839205 Hartree integrate/restrict (35.13475s) stopped
T25 >> 1462711452.61539698 Atomic (796.00236s) started
T25 >> 1462711452.62791705 XC Correction (596.46435s) started
T25 << 1462711459.51542211 XC Correction (603.35186s) stopped
T25 << 1462711462.33771992 Atomic (805.72468s) stopped
T25 >> 1462711462.33796692 Communicate (172.43703s) started
T25 << 1462711463.60590911 Communicate (173.70497s) stopped
T25 << 1462711463.60593510 Hamiltonian (4600.73627s) stopped
T25 >> 1462711463.60600710 LCAO eigensolver (6996.88000s) started
T25 >> 1462711463.60602093 Potential matrix (238.16265s) started
T25 << 1462711465.99498892 Potential matrix (240.55162s) stopped
T25 >> 1462711465.99507809 DistributedAtomicCorrection (99.66486s) started
T25 << 1462711467.06703997 DistributedAtomicCorrection (100.73682s) stopped
T25 >> 1462711467.06713891 Distribute overlap matrix (526.59264s) started
T25 >> 1462711467.06719899 blocked summation (514.58658s) started
T25 << 1462711472.20108604 blocked summation (519.72047s) stopped
T25 >> 1462711472.21113801 Scalapack redistribute (11.05596s) started
T25 << 1462711472.31826305 Scalapack redistribute (11.16309s) stopped
T25 << 1462711472.31832695 Distribute overlap matrix (531.84383s) stopped
T25 >> 1462711472.32457805 Blacs Orbital Layouts (5642.46332s) started
T25 >> 1462711472.33266807 General diagonalize (5618.57177s) started
T25 << 1462711529.21169400 General diagonalize (5675.45080s) stopped
T25 >> 1462711529.21174502 Redistribute coefs (1.88810s) started
T25 << 1462711529.24301696 Redistribute coefs (1.91938s) stopped
T25 >> 1462711529.24305797 Send coefs to domains (21.12604s) started
T25 << 1462711529.52994704 Send coefs to domains (21.41293s) stopped
T25 << 1462711529.53042102 Blacs Orbital Layouts (5699.66916s) stopped
T25 >> 1462711529.53045011 Calculate projections (489.41776s) started
T25 << 1462711534.60556293 Calculate projections (494.49287s) stopped
T25 << 1462711534.60588908 LCAO eigensolver (7067.87988s) stopped
T25 >> 1462711536.91466689 Density (1540.68016s) started
T25 >> 1462711536.91468310 Pseudo density (1255.41259s) started
T25 >> 1462711536.91594911 Calculate density matrix (1101.39891s) started
T25 << 1462711549.47038388 Calculate density matrix (1113.95335s) stopped
T25 >> 1462711549.47044611 Construct density (150.15603s) started
T25 << 1462711551.13822603 Construct density (151.82381s) stopped
T25 >> 1462711551.15129590 Symmetrize density (0.00714s) started
T25 << 1462711551.15136194 Symmetrize density (0.00721s) stopped
T25 << 1462711551.15340304 Pseudo density (1269.65131s) stopped
T25 >> 1462711551.15345812 Atomic density matrices (237.03938s) started
T25 << 1462711553.85177207 Atomic density matrices (239.73769s) stopped
T25 >> 1462711553.85181594 Multipole moments (0.79038s) started
T25 << 1462711553.85934901 Multipole moments (0.79791s) stopped
T25 >> 1462711553.85938597 Normalize (0.78478s) started
T25 << 1462711553.86613488 Normalize (0.79153s) stopped
T25 >> 1462711553.86618900 Mix (46.64397s) started
T25 << 1462711554.44369507 Mix (47.22147s) stopped
T25 << 1462711554.44375992 Density (1558.20926s) stopped
T25 >> 1462711554.44386601 Hamiltonian (4600.73628s) started
T25 >> 1462711554.44388199 vbar (2.57367s) started
T25 << 1462711554.46782589 vbar (2.59761s) stopped
T25 >> 1462711554.46794510 XC 3D grid (2720.85325s) started
T25 >> 1462711554.94696093 van der Waals (2629.34400s) started
T25 >> 1462711555.08341289 semilocal (579.68228s) started
T25 << 1462711561.55255508 semilocal (586.15142s) stopped
T25 >> 1462711561.67800307 redistribute (290.84407s) started
T25 << 1462711563.67271399 redistribute (292.83878s) stopped
T25 >> 1462711563.67275906 libvdwxc nonlocal (1739.75037s) started
T25 << 1462711582.53371406 libvdwxc nonlocal (1758.61132s) stopped
T25 >> 1462711582.53378510 redistribute (292.83882s) started
T25 << 1462711584.21890211 redistribute (294.52393s) stopped
T25 << 1462711584.22123289 van der Waals (2658.61827s) stopped
T25 << 1462711584.70734811 XC 3D grid (2751.09265s) stopped
T25 >> 1462711584.70740104 Poisson (857.81071s) started
T25 << 1462711593.68630910 Poisson (866.78962s) stopped
T25 >> 1462711593.68638992 Hartree integrate/restrict (35.13480s) started
T25 << 1462711593.74180198 Hartree integrate/restrict (35.19021s) stopped
T25 >> 1462711593.74187303 Hartree integrate/restrict (35.19026s) started
T25 << 1462711594.05912209 Hartree integrate/restrict (35.50751s) stopped
T25 >> 1462711594.11235094 Atomic (805.72470s) started
T25 >> 1462711594.12511802 XC Correction (603.35189s) started
T25 << 1462711601.00422812 XC Correction (610.23100s) stopped
T25 << 1462711603.78287292 Atomic (815.39522s) stopped
T25 >> 1462711603.78311610 Communicate (173.70498s) started
T25 << 1462711605.09990096 Communicate (175.02177s) stopped
T25 << 1462711605.09992504 Hamiltonian (4651.39234s) stopped
T25 >> 1462711605.09999800 LCAO eigensolver (7067.87990s) started
T25 >> 1462711605.10001206 Potential matrix (240.55167s) started
T25 << 1462711607.50106597 Potential matrix (242.95272s) stopped
T25 >> 1462711607.50115991 DistributedAtomicCorrection (100.73685s) started
T25 << 1462711608.55400705 DistributedAtomicCorrection (101.78969s) stopped
T25 >> 1462711608.55411005 Distribute overlap matrix (531.84384s) started
T25 >> 1462711608.55413508 blocked summation (519.72050s) started
T25 << 1462711613.68093395 blocked summation (524.84730s) stopped
T25 >> 1462711613.69061494 Scalapack redistribute (11.16313s) started
T25 << 1462711613.80267406 Scalapack redistribute (11.27519s) stopped
T25 << 1462711613.80276203 Distribute overlap matrix (537.09249s) stopped
T25 >> 1462711613.80810809 Blacs Orbital Layouts (5699.66918s) started
T25 >> 1462711613.81635594 General diagonalize (5675.45084s) started
T25 << 1462711670.48670697 General diagonalize (5732.12119s) stopped
T25 >> 1462711670.48675609 Redistribute coefs (1.91941s) started
T25 << 1462711670.50395012 Redistribute coefs (1.93660s) stopped
T25 >> 1462711670.50399804 Send coefs to domains (21.41298s) started
T25 << 1462711670.78021908 Send coefs to domains (21.68920s) stopped
T25 << 1462711670.78095388 Blacs Orbital Layouts (5756.64202s) stopped
T25 >> 1462711670.78098607 Calculate projections (494.49292s) started
T25 << 1462711675.85348797 Calculate projections (499.56542s) stopped
T25 << 1462711675.85385299 LCAO eigensolver (7138.63376s) stopped
T25 >> 1462711676.99747109 Density (1558.20927s) started
T25 >> 1462711676.99748492 Pseudo density (1269.65135s) started
T25 >> 1462711676.99883103 Calculate density matrix (1113.95339s) started
T25 << 1462711689.47216201 Calculate density matrix (1126.42672s) stopped
T25 >> 1462711689.47221589 Construct density (151.82386s) started
T25 << 1462711691.13278508 Construct density (153.48443s) stopped
T25 >> 1462711691.14538908 Symmetrize density (0.00722s) started
T25 << 1462711691.14544606 Symmetrize density (0.00728s) stopped
T25 << 1462711691.14747810 Pseudo density (1283.80135s) stopped
T25 >> 1462711691.14753103 Atomic density matrices (239.73772s) started
T25 << 1462711693.83065009 Atomic density matrices (242.42084s) stopped
T25 >> 1462711693.83069396 Multipole moments (0.79793s) started
T25 << 1462711693.83959389 Multipole moments (0.80683s) stopped
T25 >> 1462711693.83963108 Normalize (0.79157s) started
T25 << 1462711693.84641099 Normalize (0.79835s) stopped
T25 >> 1462711693.84646511 Mix (47.22154s) started
T25 << 1462711694.49884796 Mix (47.87392s) stopped
T25 << 1462711694.49888206 Density (1575.71068s) stopped
T25 >> 1462711694.49897194 Hamiltonian (4651.39235s) started
T25 >> 1462711694.49898696 vbar (2.59768s) started
T25 << 1462711694.51532412 vbar (2.61402s) stopped
T25 >> 1462711694.51539993 XC 3D grid (2751.09270s) started
T25 >> 1462711694.98557401 van der Waals (2658.61838s) started
T25 >> 1462711695.11919498 semilocal (586.15152s) started
T25 << 1462711701.69742393 semilocal (592.72975s) stopped
T25 >> 1462711701.82055712 redistribute (294.52406s) started
T25 << 1462711703.27016497 redistribute (295.97366s) stopped
T25 >> 1462711703.27020907 libvdwxc nonlocal (1758.61137s) started
T25 << 1462711723.32747889 libvdwxc nonlocal (1778.66864s) stopped
T25 >> 1462711723.32754397 redistribute (295.97370s) started
T25 << 1462711724.94050288 redistribute (297.58666s) stopped
T25 << 1462711724.94301009 van der Waals (2688.57581s) stopped
T25 << 1462711725.42593694 XC 3D grid (2782.00324s) stopped
T25 >> 1462711725.42598104 Poisson (866.78968s) started
T25 << 1462711732.82570505 Poisson (874.18941s) stopped
T25 >> 1462711732.82579708 Hartree integrate/restrict (35.50758s) started
T25 << 1462711732.89401793 Hartree integrate/restrict (35.57580s) stopped
T25 >> 1462711732.89407492 Hartree integrate/restrict (35.57584s) started
T25 << 1462711733.21593809 Hartree integrate/restrict (35.89770s) stopped
T25 >> 1462711733.26650691 Atomic (815.39524s) started
T25 >> 1462711733.27895808 XC Correction (610.23102s) started
T25 << 1462711740.09275508 XC Correction (617.04482s) stopped
T25 << 1462711742.89742994 Atomic (825.02616s) stopped
T25 >> 1462711742.89766502 Communicate (175.02178s) started
T25 << 1462711744.27459097 Communicate (176.39871s) stopped
T25 << 1462711744.27461505 Hamiltonian (4701.16800s) stopped
T25 >> 1462711744.27468109 LCAO eigensolver (7138.63377s) started
T25 >> 1462711744.27469492 Potential matrix (242.95277s) started
T25 << 1462711746.68039393 Potential matrix (245.35847s) stopped
T25 >> 1462711746.68048310 DistributedAtomicCorrection (101.78974s) started
T25 << 1462711747.75511003 DistributedAtomicCorrection (102.86436s) stopped
T25 >> 1462711747.75520611 Distribute overlap matrix (537.09251s) started
T25 >> 1462711747.75522900 blocked summation (524.84733s) started
T25 << 1462711752.90512395 blocked summation (529.99723s) stopped
T25 >> 1462711752.91515994 Scalapack redistribute (11.27525s) started
T25 << 1462711753.02071404 Scalapack redistribute (11.38081s) stopped
T25 << 1462711753.02081299 Distribute overlap matrix (542.35811s) stopped
T25 >> 1462711753.02703309 Blacs Orbital Layouts (5756.64205s) started
T25 >> 1462711753.03556705 General diagonalize (5732.12123s) started
T25 << 1462711808.73638201 General diagonalize (5787.82204s) stopped
T25 >> 1462711808.73642707 Redistribute coefs (1.93664s) started
T25 << 1462711808.76173902 Redistribute coefs (1.96195s) stopped
T25 >> 1462711808.76178503 Send coefs to domains (21.68923s) started
T25 << 1462711808.91410089 Send coefs to domains (21.84155s) stopped
T25 << 1462711808.91457510 Blacs Orbital Layouts (5812.52959s) stopped
T25 >> 1462711808.91460299 Calculate projections (499.56548s) started
T25 << 1462711813.99156809 Calculate projections (504.64244s) stopped
T25 << 1462711813.99190211 LCAO eigensolver (7208.35099s) stopped
T25 >> 1462711814.99391794 Density (1575.71070s) started
T25 >> 1462711814.99393201 Pseudo density (1283.80139s) started
T25 >> 1462711814.99514508 Calculate density matrix (1126.42675s) started
T25 << 1462711827.93635106 Calculate density matrix (1139.36796s) stopped
T25 >> 1462711827.93640709 Construct density (153.48448s) started
T25 << 1462711829.59879398 Construct density (155.14687s) stopped
T25 >> 1462711829.61166000 Symmetrize density (0.00730s) started
T25 << 1462711829.61171603 Symmetrize density (0.00735s) stopped
T25 << 1462711829.61375403 Pseudo density (1298.42121s) stopped
T25 >> 1462711829.61380792 Atomic density matrices (242.42086s) started
T25 << 1462711832.26562691 Atomic density matrices (245.07268s) stopped
T25 >> 1462711832.26567197 Multipole moments (0.80685s) started
T25 << 1462711832.27522898 Multipole moments (0.81641s) stopped
T25 >> 1462711832.27526498 Normalize (0.79839s) started
T25 << 1462711832.28217506 Normalize (0.80530s) stopped
T25 >> 1462711832.28225207 Mix (47.87395s) started
T25 << 1462711832.85903096 Mix (48.45073s) stopped
T25 << 1462711832.85911703 Density (1593.57590s) stopped
T25 >> 1462711832.85929108 Hamiltonian (4701.16801s) started
T25 >> 1462711832.85930991 vbar (2.61406s) started
T25 << 1462711832.88780594 vbar (2.64255s) stopped
T25 >> 1462711832.88797688 XC 3D grid (2782.00327s) started
T25 >> 1462711833.38267207 van der Waals (2688.57590s) started
T25 >> 1462711833.51380396 semilocal (592.72989s) started
T25 << 1462711840.70433593 semilocal (599.92042s) stopped
T25 >> 1462711840.77818108 redistribute (297.58674s) started
T25 << 1462711841.70148897 redistribute (298.51005s) stopped
T25 >> 1462711841.70155311 libvdwxc nonlocal (1778.66869s) started
T25 << 1462711860.61575389 libvdwxc nonlocal (1797.58289s) stopped
T25 >> 1462711860.61582708 redistribute (298.51010s) started
T25 << 1462711862.57710791 redistribute (300.47138s) stopped
T25 << 1462711862.57887006 van der Waals (2717.77210s) stopped
T25 << 1462711863.06311488 XC 3D grid (2812.17841s) stopped
T25 >> 1462711863.06315494 Poisson (874.18948s) started
T25 << 1462711868.85807800 Poisson (879.98440s) stopped
T25 >> 1462711868.85818696 Hartree integrate/restrict (35.89773s) started
T25 << 1462711868.89769793 Hartree integrate/restrict (35.93725s) stopped
T25 >> 1462711868.89776301 Hartree integrate/restrict (35.93729s) started
T25 << 1462711869.24422193 Hartree integrate/restrict (36.28374s) stopped
T25 >> 1462711869.29796910 Atomic (825.02619s) started
T25 >> 1462711869.31087399 XC Correction (617.04484s) started
T25 << 1462711876.10591006 XC Correction (623.83987s) stopped
T25 << 1462711878.87447190 Atomic (834.60269s) stopped
T25 >> 1462711878.87474799 Communicate (176.39873s) started
T25 << 1462711880.30321908 Communicate (177.82720s) stopped
T25 << 1462711880.30324602 Hamiltonian (4748.61197s) stopped
T25 >> 1462711880.30331707 LCAO eigensolver (7208.35101s) started
T25 >> 1462711880.30333090 Potential matrix (245.35852s) started
T25 << 1462711882.69587207 Potential matrix (247.75106s) stopped
T25 >> 1462711882.69597101 DistributedAtomicCorrection (102.86440s) started
T25 << 1462711883.76986909 DistributedAtomicCorrection (103.93830s) stopped
T25 >> 1462711883.76996207 Distribute overlap matrix (542.35813s) started
T25 >> 1462711883.76999211 blocked summation (529.99726s) started
T25 << 1462711888.90851688 blocked summation (535.13579s) stopped
T25 >> 1462711888.91815400 Scalapack redistribute (11.38086s) started
T25 << 1462711889.03244901 Scalapack redistribute (11.49516s) stopped
T25 << 1462711889.03256297 Distribute overlap matrix (547.62073s) stopped
T25 >> 1462711889.03831196 Blacs Orbital Layouts (5812.52961s) started
T25 >> 1462711889.04774094 General diagonalize (5787.82208s) started
T25 << 1462711944.64435410 General diagonalize (5843.41869s) stopped
T25 >> 1462711944.64440203 Redistribute coefs (1.96199s) started
T25 << 1462711944.66123390 Redistribute coefs (1.97882s) stopped
T25 >> 1462711944.66128397 Send coefs to domains (21.84159s) started
T25 << 1462711944.75677490 Send coefs to domains (21.93708s) stopped
T25 << 1462711944.75726795 Blacs Orbital Layouts (5868.24856s) stopped
T25 >> 1462711944.75729609 Calculate projections (504.64249s) started
T25 << 1462711949.86540794 Calculate projections (509.75061s) stopped
T25 << 1462711949.86571908 LCAO eigensolver (7277.91341s) stopped
T25 >> 1462711950.71617389 Density (1593.57591s) started
T25 >> 1462711950.71618891 Pseudo density (1298.42125s) started
T25 >> 1462711950.71770000 Calculate density matrix (1139.36800s) started
T25 << 1462711963.29417491 Calculate density matrix (1151.94447s) stopped
T25 >> 1462711963.29422903 Construct density (155.14692s) started
T25 << 1462711964.95912290 Construct density (156.81181s) stopped
T25 >> 1462711964.97262311 Symmetrize density (0.00737s) started
T25 << 1462711964.97268605 Symmetrize density (0.00744s) stopped
T25 << 1462711964.97500992 Pseudo density (1312.68007s) stopped
T25 >> 1462711964.97507095 Atomic density matrices (245.07271s) started
T25 << 1462711967.63679504 Atomic density matrices (247.73443s) stopped
T25 >> 1462711967.63683796 Multipole moments (0.81642s) started
T25 << 1462711967.64671493 Multipole moments (0.82630s) stopped
T25 >> 1462711967.64675093 Normalize (0.80537s) started
T25 << 1462711967.65365791 Normalize (0.81227s) stopped
T25 >> 1462711967.65372896 Mix (48.45081s) started
T25 << 1462711968.21969891 Mix (49.01678s) stopped
T25 << 1462711968.21975088 Density (1611.07949s) stopped
T25 >> 1462711968.21986604 Hamiltonian (4748.61198s) started
T25 >> 1462711968.21988392 vbar (2.64264s) started
T25 << 1462711968.23771691 vbar (2.66048s) stopped
T25 >> 1462711968.23780298 XC 3D grid (2812.17844s) started
T25 >> 1462711968.74087310 van der Waals (2717.77222s) started
T25 >> 1462711968.87484097 semilocal (599.92050s) started
T25 << 1462711976.08904195 semilocal (607.13470s) stopped
T25 >> 1462711976.15882707 redistribute (300.47150s) started
T25 << 1462711977.09348202 redistribute (301.40615s) stopped
T25 >> 1462711977.09352803 libvdwxc nonlocal (1797.58295s) started
T25 << 1462711996.69650793 libvdwxc nonlocal (1817.18593s) stopped
T25 >> 1462711996.69654989 redistribute (301.40618s) started
T25 << 1462711998.79806590 redistribute (303.50770s) stopped
T25 << 1462711998.79985189 van der Waals (2747.83120s) stopped
T25 << 1462711999.28949594 XC 3D grid (2843.23013s) stopped
T25 >> 1462711999.28953910 Poisson (879.98448s) started
T25 << 1462712008.11181903 Poisson (888.80676s) stopped
T25 >> 1462712008.11197805 Hartree integrate/restrict (36.28380s) started
T25 << 1462712008.15047407 Hartree integrate/restrict (36.32230s) stopped
T25 >> 1462712008.15065908 Hartree integrate/restrict (36.32243s) started
T25 << 1462712008.50843692 Hartree integrate/restrict (36.68021s) stopped
T25 >> 1462712008.56317592 Atomic (834.60271s) started
T25 >> 1462712008.57597709 XC Correction (623.83990s) started
T25 << 1462712015.17668605 XC Correction (630.44061s) stopped
T25 << 1462712018.26060104 Atomic (844.30014s) stopped
T25 >> 1462712018.26088905 Communicate (177.82721s) started
T25 << 1462712019.70811105 Communicate (179.27444s) stopped
T25 << 1462712019.70813608 Hamiltonian (4800.10025s) stopped
T25 >> 1462712019.70820808 LCAO eigensolver (7277.91343s) started
T25 >> 1462712019.70822191 Potential matrix (247.75112s) started
T25 << 1462712022.12125897 Potential matrix (250.16415s) stopped
T25 >> 1462712022.12133694 DistributedAtomicCorrection (103.93833s) started
T25 << 1462712023.17666793 DistributedAtomicCorrection (104.99366s) stopped
T25 >> 1462712023.17676592 Distribute overlap matrix (547.62074s) started
T25 >> 1462712023.17679191 blocked summation (535.13582s) started
T25 << 1462712028.30661511 blocked summation (540.26564s) stopped
T25 >> 1462712028.31641889 Scalapack redistribute (11.49523s) started
T25 << 1462712028.42129707 Scalapack redistribute (11.60010s) stopped
T25 << 1462712028.42140388 Distribute overlap matrix (552.86538s) stopped
T25 >> 1462712028.42690802 Blacs Orbital Layouts (5868.24858s) started
T25 >> 1462712028.43524599 General diagonalize (5843.41873s) started
T25 << 1462712086.80183601 General diagonalize (5901.78532s) stopped
T25 >> 1462712086.80188799 Redistribute coefs (1.97886s) started
T25 << 1462712086.82905293 Redistribute coefs (2.00603s) stopped
T25 >> 1462712086.82909489 Send coefs to domains (21.93711s) started
T25 << 1462712087.06825805 Send coefs to domains (22.17628s) stopped
T25 << 1462712087.06866908 Blacs Orbital Layouts (5926.89035s) stopped
T25 >> 1462712087.06869793 Calculate projections (509.75066s) started
T25 << 1462712092.18723297 Calculate projections (514.86919s) stopped
T25 << 1462712092.18755293 LCAO eigensolver (7350.39278s) stopped
T25 >> 1462712093.03951097 Density (1611.07951s) started
T25 >> 1462712093.03952599 Pseudo density (1312.68012s) started
T25 >> 1462712093.04104996 Calculate density matrix (1151.94451s) started
T25 << 1462712105.60179996 Calculate density matrix (1164.50526s) stopped
T25 >> 1462712105.60185289 Construct density (156.81187s) started
T25 << 1462712107.27483296 Construct density (158.48485s) stopped
T25 >> 1462712107.28824806 Symmetrize density (0.00745s) started
T25 << 1462712107.28831100 Symmetrize density (0.00751s) stopped
T25 << 1462712107.29065609 Pseudo density (1326.93125s) stopped
T25 >> 1462712107.29071689 Atomic density matrices (247.73446s) started
T25 << 1462712109.95520401 Atomic density matrices (250.39894s) stopped
T25 >> 1462712109.95524907 Multipole moments (0.82632s) started
T25 << 1462712109.96429801 Multipole moments (0.83537s) stopped
T25 >> 1462712109.96433592 Normalize (0.81233s) started
T25 << 1462712109.97206306 Normalize (0.82006s) stopped
T25 >> 1462712109.97210002 Mix (49.01683s) started
T25 << 1462712110.47834206 Mix (49.52308s) stopped
T25 << 1462712110.47843003 Density (1628.51842s) stopped
T25 >> 1462712110.47857404 Hamiltonian (4800.10026s) started
T25 >> 1462712110.47859502 vbar (2.66052s) started
T25 << 1462712110.51015997 vbar (2.69209s) stopped
T25 >> 1462712110.51032710 XC 3D grid (2843.23016s) started
T25 >> 1462712110.99728608 van der Waals (2747.83126s) started
T25 >> 1462712111.12741399 semilocal (607.13476s) started
T25 << 1462712118.48537993 semilocal (614.49272s) stopped
T25 >> 1462712118.56372690 redistribute (303.50775s) started
T25 << 1462712127.53429794 redistribute (312.47832s) stopped
T25 >> 1462712127.53434110 libvdwxc nonlocal (1817.18596s) started
T25 << 1462712146.11511803 libvdwxc nonlocal (1835.76674s) stopped
T25 >> 1462712146.11517406 redistribute (312.47835s) started
T25 << 1462712147.96323109 redistribute (314.32641s) stopped
T25 << 1462712147.96530294 van der Waals (2784.79927s) stopped
T25 << 1462712148.46295500 XC 3D grid (2881.18279s) stopped
T25 >> 1462712148.46300197 Poisson (888.80691s) started
T25 << 1462712155.62249899 Poisson (895.96640s) stopped
T25 >> 1462712155.62262702 Hartree integrate/restrict (36.68027s) started
T25 << 1462712155.66411209 Hartree integrate/restrict (36.72176s) stopped
T25 >> 1462712155.66425490 Hartree integrate/restrict (36.72186s) started
T25 << 1462712156.00004101 Hartree integrate/restrict (37.05764s) stopped
T25 >> 1462712156.05490208 Atomic (844.30016s) started
T25 >> 1462712156.06783605 XC Correction (630.44064s) started
T25 << 1462712162.84289503 XC Correction (637.21570s) stopped
T25 << 1462712165.75582194 Atomic (854.00108s) stopped
T25 >> 1462712165.75611806 Communicate (179.27445s) started
T25 << 1462712167.24061608 Communicate (180.75895s) stopped
T25 << 1462712167.24064112 Hamiltonian (4856.86233s) stopped
T25 >> 1462712167.24070907 LCAO eigensolver (7350.39279s) started
T25 >> 1462712167.24072289 Potential matrix (250.16420s) started
T25 << 1462712169.65076399 Potential matrix (252.57424s) stopped
T25 >> 1462712169.65084291 DistributedAtomicCorrection (104.99371s) started
T25 << 1462712170.71112204 DistributedAtomicCorrection (106.05398s) stopped
T25 >> 1462712170.71121907 Distribute overlap matrix (552.86539s) started
T25 >> 1462712170.71124411 blocked summation (540.26567s) started
T25 << 1462712175.83441591 blocked summation (545.38884s) stopped
T25 >> 1462712175.84408903 Scalapack redistribute (11.60016s) started
T25 << 1462712175.99043012 Scalapack redistribute (11.74651s) stopped
T25 << 1462712175.99056196 Distribute overlap matrix (558.14474s) stopped
T25 >> 1462712175.99760795 Blacs Orbital Layouts (5926.89037s) started
T25 >> 1462712176.00696206 General diagonalize (5901.78536s) started
T25 << 1462712233.76456690 General diagonalize (5959.54297s) stopped
T25 >> 1462712233.76461506 Redistribute coefs (2.00606s) started
T25 << 1462712233.79176211 Redistribute coefs (2.03321s) stopped
T25 >> 1462712233.79180288 Send coefs to domains (22.17631s) started
T25 << 1462712234.04201794 Send coefs to domains (22.42653s) stopped
T25 << 1462712234.04246402 Blacs Orbital Layouts (5984.93522s) stopped
T25 >> 1462712234.04249501 Calculate projections (514.86925s) started
T25 << 1462712239.14846206 Calculate projections (519.97521s) stopped
T25 << 1462712239.14877892 LCAO eigensolver (7422.30086s) stopped
T25 >> 1462712240.38971496 Density (1628.51844s) started
T25 >> 1462712240.38972902 Pseudo density (1326.93130s) started
T25 >> 1462712240.39155602 Calculate density matrix (1164.50529s) started
T25 << 1462712252.83500504 Calculate density matrix (1176.94874s) stopped
T25 >> 1462712252.83506107 Construct density (158.48491s) started
T25 << 1462712254.50058293 Construct density (160.15043s) stopped
T25 >> 1462712254.51426101 Symmetrize density (0.00753s) started
T25 << 1462712254.51432395 Symmetrize density (0.00760s) stopped
T25 << 1462712254.51665092 Pseudo density (1341.05823s) stopped
T25 >> 1462712254.51671290 Atomic density matrices (250.39897s) started
T25 << 1462712257.21958399 Atomic density matrices (253.10184s) stopped
T25 >> 1462712257.21962810 Multipole moments (0.83538s) started
T25 << 1462712257.22865105 Multipole moments (0.84441s) stopped
T25 >> 1462712257.22868896 Normalize (0.82008s) started
T25 << 1462712257.23628712 Normalize (0.82768s) stopped
T25 >> 1462712257.23633099 Mix (49.52316s) started
T25 << 1462712257.77680898 Mix (50.06364s) stopped
T25 << 1462712257.77690196 Density (1645.90563s) stopped
T25 >> 1462712257.77705407 Hamiltonian (4856.86234s) started
T25 >> 1462712257.77707291 vbar (2.69218s) started
T25 << 1462712257.80865598 vbar (2.72376s) stopped
T25 >> 1462712257.80881596 XC 3D grid (2881.18283s) started
T25 >> 1462712258.30251002 van der Waals (2784.79933s) started
T25 >> 1462712258.43268108 semilocal (614.49280s) started
T25 << 1462712265.89601707 semilocal (621.95614s) stopped
T25 >> 1462712265.95765305 redistribute (314.32647s) started
T25 << 1462712266.88050199 redistribute (315.24932s) stopped
T25 >> 1462712266.88056588 libvdwxc nonlocal (1835.76678s) started
T25 << 1462712285.67624688 libvdwxc nonlocal (1854.56246s) stopped
T25 >> 1462712285.67632008 redistribute (315.24937s) started
T25 << 1462712287.64689708 redistribute (317.21995s) stopped
T25 << 1462712287.64906001 van der Waals (2814.14588s) stopped
T25 << 1462712288.13169098 XC 3D grid (2911.50570s) stopped
T25 >> 1462712288.13176107 Poisson (895.96651s) started
T25 << 1462712292.51521802 Poisson (900.34997s) stopped
T25 >> 1462712292.51534104 Hartree integrate/restrict (37.05771s) started
T25 << 1462712292.55416298 Hartree integrate/restrict (37.09653s) stopped
T25 >> 1462712292.55423594 Hartree integrate/restrict (37.09657s) started
T25 << 1462712292.90573597 Hartree integrate/restrict (37.44807s) stopped
T25 >> 1462712292.96043706 Atomic (854.00110s) started
T25 >> 1462712292.97347498 XC Correction (637.21573s) started
T25 << 1462712299.61847997 XC Correction (643.86073s) stopped
T25 << 1462712302.60959506 Atomic (863.65026s) stopped
T25 >> 1462712302.60988092 Communicate (180.75897s) started
T25 << 1462712304.22687793 Communicate (182.37596s) stopped
T25 << 1462712304.22690296 Hamiltonian (4903.31219s) stopped
T25 >> 1462712304.22697401 LCAO eigensolver (7422.30088s) started
T25 >> 1462712304.22698808 Potential matrix (252.57428s) started
T25 << 1462712306.62115407 Potential matrix (254.96845s) stopped
T25 >> 1462712306.62124801 DistributedAtomicCorrection (106.05402s) started
T25 << 1462712307.67785811 DistributedAtomicCorrection (107.11064s) stopped
T25 >> 1462712307.67795610 Distribute overlap matrix (558.14475s) started
T25 >> 1462712307.67798209 blocked summation (545.38887s) started
T25 << 1462712312.86940908 blocked summation (550.58030s) stopped
T25 >> 1462712312.87916088 Scalapack redistribute (11.74658s) started
T25 << 1462712312.99940991 Scalapack redistribute (11.86683s) stopped
T25 << 1462712312.99948311 Distribute overlap matrix (563.46628s) stopped
T25 >> 1462712313.00454307 Blacs Orbital Layouts (5984.93524s) started
T25 >> 1462712313.01329899 General diagonalize (5959.54301s) started
T25 << 1462712368.27103496 General diagonalize (6014.80075s) stopped
T25 >> 1462712368.27108002 Redistribute coefs (2.03324s) started
T25 << 1462712368.28811097 Redistribute coefs (2.05027s) stopped
T25 >> 1462712368.28815293 Send coefs to domains (22.42657s) started
T25 << 1462712368.41141891 Send coefs to domains (22.54984s) stopped
T25 << 1462712368.41193295 Blacs Orbital Layouts (6040.34263s) stopped
T25 >> 1462712368.41196489 Calculate projections (519.97527s) started
T25 << 1462712373.53059196 Calculate projections (525.09390s) stopped
T25 << 1462712373.53090811 LCAO eigensolver (7491.60482s) stopped
T25 >> 1462712374.97839808 Density (1645.90564s) started
T25 >> 1462712374.97841311 Pseudo density (1341.05828s) started
T25 >> 1462712374.98027301 Calculate density matrix (1176.94878s) started
T25 << 1462712387.50275803 Calculate density matrix (1189.47126s) stopped
T25 >> 1462712387.50281405 Construct density (160.15048s) started
T25 << 1462712389.17497206 Construct density (161.82264s) stopped
T25 >> 1462712389.18811703 Symmetrize density (0.00761s) started
T25 << 1462712389.18817806 Symmetrize density (0.00767s) stopped
T25 << 1462712389.19050288 Pseudo density (1355.27037s) stopped
T25 >> 1462712389.19056392 Atomic density matrices (253.10186s) started
T25 << 1462712391.87944293 Atomic density matrices (255.79074s) stopped
T25 >> 1462712391.87948704 Multipole moments (0.84443s) started
T25 << 1462712391.88922405 Multipole moments (0.85416s) stopped
T25 >> 1462712391.88926196 Normalize (0.82771s) started
T25 << 1462712391.89688897 Normalize (0.83534s) stopped
T25 >> 1462712391.89692807 Mix (50.06373s) started
T25 << 1462712392.41510701 Mix (50.58191s) stopped
T25 << 1462712392.41520691 Density (1663.34245s) stopped
T25 >> 1462712392.41536498 Hamiltonian (4903.31220s) started
T25 >> 1462712392.41538692 vbar (2.72385s) started
T25 << 1462712392.44511795 vbar (2.75358s) stopped
T25 >> 1462712392.44523501 XC 3D grid (2911.50576s) started
T25 >> 1462712392.91453695 van der Waals (2814.14594s) started
T25 >> 1462712393.04822397 semilocal (621.95626s) started
T25 << 1462712400.38821602 semilocal (629.29625s) stopped
T25 >> 1462712400.46320796 redistribute (317.22002s) started
T25 << 1462712401.94242811 redistribute (318.69924s) stopped
T25 >> 1462712401.94247007 libvdwxc nonlocal (1854.56252s) started
T25 << 1462712420.48655796 libvdwxc nonlocal (1873.10661s) stopped
T25 >> 1462712420.48663092 redistribute (318.69928s) started
T25 << 1462712422.45519710 redistribute (320.66784s) stopped
T25 << 1462712422.45743895 van der Waals (2843.68885s) stopped
T25 << 1462712422.93908501 XC 3D grid (2941.99961s) stopped
T25 >> 1462712422.93912601 Poisson (900.35007s) started
T25 << 1462712427.24464011 Poisson (904.65558s) stopped
T25 >> 1462712427.24470711 Hartree integrate/restrict (37.44813s) started
T25 << 1462712427.28757095 Hartree integrate/restrict (37.49100s) stopped
T25 >> 1462712427.28765106 Hartree integrate/restrict (37.49104s) started
T25 << 1462712427.62020206 Hartree integrate/restrict (37.82359s) stopped
T25 >> 1462712427.67256403 Atomic (863.65028s) started
T25 >> 1462712427.68543696 XC Correction (643.86076s) started
T25 << 1462712434.33453894 XC Correction (650.50986s) stopped
T25 << 1462712437.30513692 Atomic (873.28285s) stopped
T25 >> 1462712437.30542588 Communicate (182.37598s) started
T25 << 1462712438.85391808 Communicate (183.92447s) stopped
T25 << 1462712438.85394406 Hamiltonian (4949.75078s) stopped
T25 >> 1462712438.85401511 LCAO eigensolver (7491.60483s) started
T25 >> 1462712438.85402989 Potential matrix (254.96850s) started
T25 << 1462712441.25687289 Potential matrix (257.37134s) stopped
T25 >> 1462712441.25696492 DistributedAtomicCorrection (107.11068s) started
T25 << 1462712442.41974902 DistributedAtomicCorrection (108.27346s) stopped
T25 >> 1462712442.41984797 Distribute overlap matrix (563.46629s) started
T25 >> 1462712442.41987300 blocked summation (550.58033s) started
T25 << 1462712447.50447202 blocked summation (555.66493s) stopped
T25 >> 1462712447.51400495 Scalapack redistribute (11.86687s) started
T25 << 1462712447.62592912 Scalapack redistribute (11.97879s) stopped
T25 << 1462712447.62601590 Distribute overlap matrix (568.67246s) stopped
T25 >> 1462712447.63124990 Blacs Orbital Layouts (6040.34265s) started
T25 >> 1462712447.64081502 General diagonalize (6014.80078s) started
T25 << 1462712502.90220189 General diagonalize (6070.06217s) stopped
T25 >> 1462712502.90225005 Redistribute coefs (2.05030s) started
T25 << 1462712502.91898799 Redistribute coefs (2.06704s) stopped
T25 >> 1462712502.91903496 Send coefs to domains (22.54988s) started
T25 << 1462712503.02686095 Send coefs to domains (22.65770s) stopped
T25 << 1462712503.02732897 Blacs Orbital Layouts (6095.73873s) stopped
T25 >> 1462712503.02735996 Calculate projections (525.09396s) started
T25 << 1462712508.13698196 Calculate projections (530.20358s) stopped
T25 << 1462712508.13729811 LCAO eigensolver (7560.88812s) stopped
T25 >> 1462712508.97262597 Density (1663.34247s) started
T25 >> 1462712508.97264099 Pseudo density (1355.27042s) started
T25 >> 1462712508.97447395 Calculate density matrix (1189.47130s) started
T25 << 1462712521.57188702 Calculate density matrix (1202.06871s) stopped
T25 >> 1462712521.57194209 Construct density (161.82270s) started
T25 << 1462712523.24193001 Construct density (163.49269s) stopped
T25 >> 1462712523.25517201 Symmetrize density (0.00769s) started
T25 << 1462712523.25523496 Symmetrize density (0.00775s) stopped
T25 << 1462712523.25755906 Pseudo density (1369.55533s) stopped
T25 >> 1462712523.25762010 Atomic density matrices (255.79077s) started
T25 << 1462712525.95460510 Atomic density matrices (258.48775s) stopped
T25 >> 1462712525.95464897 Multipole moments (0.85418s) started
T25 << 1462712525.96280694 Multipole moments (0.86234s) stopped
T25 >> 1462712525.96284509 Normalize (0.83537s) started
T25 << 1462712525.97047997 Normalize (0.84300s) stopped
T25 >> 1462712525.97055697 Mix (50.58200s) started
T25 << 1462712526.50745606 Mix (51.11890s) stopped
T25 << 1462712526.50753093 Density (1680.87737s) stopped
T25 >> 1462712526.50764203 Hamiltonian (4949.75079s) started
T25 >> 1462712526.50765896 vbar (2.75365s) started
T25 << 1462712526.53695703 vbar (2.78295s) stopped
T25 >> 1462712526.53704405 XC 3D grid (2941.99964s) started
T25 >> 1462712527.04861999 van der Waals (2843.68896s) started
T25 >> 1462712527.18205905 semilocal (629.29633s) started
T25 << 1462712534.66285491 semilocal (636.77712s) stopped
T25 >> 1462712534.72354293 redistribute (320.66797s) started
T25 << 1462712535.64041305 redistribute (321.58484s) stopped
T25 >> 1462712535.64045501 libvdwxc nonlocal (1873.10666s) started
T25 << 1462712554.74309897 libvdwxc nonlocal (1892.20930s) stopped
T25 >> 1462712554.74316502 redistribute (321.58487s) started
T25 << 1462712556.80993390 redistribute (323.65164s) stopped
T25 << 1462712556.81137800 van der Waals (2873.45172s) stopped
T25 << 1462712557.30464697 XC 3D grid (2972.76725s) stopped
T25 >> 1462712557.30469608 Poisson (904.65563s) started
T25 << 1462712561.65488601 Poisson (909.00582s) stopped
T25 >> 1462712561.65494609 Hartree integrate/restrict (37.82366s) started
T25 << 1462712561.69400406 Hartree integrate/restrict (37.86272s) stopped
T25 >> 1462712561.69407296 Hartree integrate/restrict (37.86276s) started
T25 << 1462712562.04815292 Hartree integrate/restrict (38.21684s) stopped
T25 >> 1462712562.10324407 Atomic (873.28287s) started
T25 >> 1462712562.11615992 XC Correction (650.50989s) started
T25 << 1462712568.70067692 XC Correction (657.09440s) stopped
T25 << 1462712571.74997497 Atomic (882.92961s) stopped
T25 >> 1462712571.75026798 Communicate (183.92448s) started
T25 << 1462712573.33497500 Communicate (185.50919s) stopped
T25 << 1462712573.33500004 Hamiltonian (4996.57815s) stopped
T25 >> 1462712573.33506989 LCAO eigensolver (7560.88814s) started
T25 >> 1462712573.33508396 Potential matrix (257.37140s) started
T25 << 1462712575.72455907 Potential matrix (259.76087s) stopped
T25 >> 1462712575.72463799 DistributedAtomicCorrection (108.27350s) started
T25 << 1462712576.78435993 DistributedAtomicCorrection (109.33322s) stopped
T25 >> 1462712576.78445792 Distribute overlap matrix (568.67248s) started
T25 >> 1462712576.78448391 blocked summation (555.66496s) started
T25 << 1462712581.93188500 blocked summation (560.81237s) stopped
T25 >> 1462712581.94103789 Scalapack redistribute (11.97883s) started
T25 << 1462712582.07711196 Scalapack redistribute (12.11490s) stopped
T25 << 1462712582.07721496 Distribute overlap matrix (573.96523s) stopped
T25 >> 1462712582.08295393 Blacs Orbital Layouts (6095.73875s) started
T25 >> 1462712582.09289098 General diagonalize (6070.06221s) started
T25 << 1462712639.88783598 General diagonalize (6127.85715s) stopped
T25 >> 1462712639.88788509 Redistribute coefs (2.06708s) started
T25 << 1462712639.90541792 Redistribute coefs (2.08461s) stopped
T25 >> 1462712639.90546393 Send coefs to domains (22.65774s) started
T25 << 1462712640.02245593 Send coefs to domains (22.77473s) stopped
T25 << 1462712640.02312899 Blacs Orbital Layouts (6153.67893s) stopped
T25 >> 1462712640.02315807 Calculate projections (530.20363s) started
T25 << 1462712645.09195399 Calculate projections (535.27243s) stopped
T25 << 1462712645.09231210 LCAO eigensolver (7632.64538s) stopped
T25 >> 1462712646.07607007 Density (1680.87739s) started
T25 >> 1462712646.07608509 Pseudo density (1369.55538s) started
T25 >> 1462712646.07739902 Calculate density matrix (1202.06875s) started
T25 << 1462712658.67549896 Calculate density matrix (1214.66685s) stopped
T25 >> 1462712658.67556095 Construct density (163.49275s) started
T25 << 1462712660.34007692 Construct density (165.15726s) stopped
T25 >> 1462712660.35244012 Symmetrize density (0.00777s) started
T25 << 1462712660.35249710 Symmetrize density (0.00783s) stopped
T25 << 1462712660.35454202 Pseudo density (1383.83384s) stopped
T25 >> 1462712660.35459709 Atomic density matrices (258.48778s) started
T25 << 1462712663.05054402 Atomic density matrices (261.18372s) stopped
T25 >> 1462712663.05058789 Multipole moments (0.86236s) started
T25 << 1462712663.05967903 Multipole moments (0.87145s) stopped
T25 >> 1462712663.05971503 Normalize (0.84307s) started
T25 << 1462712663.06644392 Normalize (0.84980s) stopped
T25 >> 1462712663.06651711 Mix (51.11898s) started
T25 << 1462712663.61218190 Mix (51.66464s) stopped
T25 << 1462712663.61227393 Density (1698.41359s) stopped
T25 >> 1462712663.61241794 Hamiltonian (4996.57816s) started
T25 >> 1462712663.61243701 vbar (2.78300s) started
T25 << 1462712663.63816690 vbar (2.80873s) stopped
T25 >> 1462712663.63826799 XC 3D grid (2972.76728s) started
T25 >> 1462712664.14973807 van der Waals (2873.45182s) started
T25 >> 1462712664.27763796 semilocal (636.77718s) started
T25 << 1462712670.79159188 semilocal (643.29113s) stopped
T25 >> 1462712670.89107108 redistribute (323.65177s) started
T25 << 1462712672.47068906 redistribute (325.23139s) stopped
T25 >> 1462712672.47073197 libvdwxc nonlocal (1892.20935s) started
T25 << 1462712691.82603693 libvdwxc nonlocal (1911.56466s) stopped
T25 >> 1462712691.82610297 redistribute (325.23143s) started
T25 << 1462712693.67115498 redistribute (327.07648s) stopped
T25 << 1462712693.67307305 van der Waals (2902.97515s) stopped
T25 << 1462712694.16387510 XC 3D grid (3003.29289s) stopped
T25 >> 1462712694.16391706 Poisson (909.00586s) started
T25 << 1462712697.12079000 Poisson (911.96274s) stopped
T25 >> 1462712697.12085390 Hartree integrate/restrict (38.21691s) started
T25 << 1462712697.16989589 Hartree integrate/restrict (38.26595s) stopped
T25 >> 1462712697.16994309 Hartree integrate/restrict (38.26598s) started
T25 << 1462712697.50740600 Hartree integrate/restrict (38.60344s) stopped
T25 >> 1462712697.56571388 Atomic (882.92963s) started
T25 >> 1462712697.57852101 XC Correction (657.09443s) started
T25 << 1462712704.17381501 XC Correction (663.68972s) stopped
T25 << 1462712707.17993093 Atomic (892.54384s) stopped
T25 >> 1462712707.18023491 Communicate (185.50921s) started
T25 << 1462712708.76148295 Communicate (187.09046s) stopped
T25 << 1462712708.76150894 Hamiltonian (5041.72725s) stopped
T25 >> 1462712708.76158309 LCAO eigensolver (7632.64540s) started
T25 >> 1462712708.76159692 Potential matrix (259.76092s) started
T25 << 1462712711.15911698 Potential matrix (262.15844s) stopped
T25 >> 1462712711.15920091 DistributedAtomicCorrection (109.33327s) started
T25 << 1462712712.23059607 DistributedAtomicCorrection (110.40466s) stopped
T25 >> 1462712712.23062801 Distribute overlap matrix (573.96525s) started
T25 >> 1462712712.23068595 blocked summation (560.81240s) started
T25 << 1462712717.38222909 blocked summation (565.96394s) stopped
T25 >> 1462712717.39123297 Scalapack redistribute (12.11497s) started
T25 << 1462712717.49515796 Scalapack redistribute (12.21889s) stopped
T25 << 1462712717.49527097 Distribute overlap matrix (579.22989s) stopped
T25 >> 1462712717.49975204 Blacs Orbital Layouts (6153.67895s) started
T25 >> 1462712717.50767207 General diagonalize (6127.85719s) started
T25 << 1462712773.69922090 General diagonalize (6184.04874s) stopped
T25 >> 1462712773.69926810 Redistribute coefs (2.08464s) started
T25 << 1462712773.71626091 Redistribute coefs (2.10164s) stopped
T25 >> 1462712773.71630311 Send coefs to domains (22.77477s) started
T25 << 1462712773.81752610 Send coefs to domains (22.87600s) stopped
T25 << 1462712773.81814790 Blacs Orbital Layouts (6209.99734s) stopped
T25 >> 1462712773.81817698 Calculate projections (535.27248s) started
T25 << 1462712778.88593292 Calculate projections (540.34023s) stopped
T25 << 1462712778.88626194 LCAO eigensolver (7702.77007s) stopped
T25 << 1462712779.77956104 SCF-cycle (14589.84110s) stopped
T25 >> 1462712782.38144898 Force calculation (776.20077s) started
T25 >> 1462712782.38153291 LCAO forces (696.66141s) started
T25 >> 1462712782.38190103 Initial (0.00020s) started
T25 << 1462712782.38191199 Initial (0.00021s) stopped
T25 >> 1462712782.38761306 Get density matrix (324.48435s) started
T25 << 1462712791.68444300 Get density matrix (333.78118s) stopped
T25 >> 1462712791.68451500 Potential (112.29440s) started
T25 << 1462712804.28657699 Potential (124.89646s) stopped
T25 >> 1462712804.28662896 Get density matrix (333.78125s) started
T25 << 1462712831.28416991 Get density matrix (360.77879s) stopped
T25 >> 1462712831.28422809 Prepare TCI loop (21.83325s) started
T25 >> 1462712831.28475595 Get neighbors (19.72430s) started
T25 << 1462712833.41565800 Get neighbors (21.85520s) stopped
T25 >> 1462712833.41663694 broadcast dH (2.09920s) started
T25 << 1462712833.70571303 broadcast dH (2.38828s) stopped
T25 << 1462712833.70575690 Prepare TCI loop (24.25478s) stopped
T25 >> 1462712833.70577502 Not so complicated loop (92.85976s) started
T25 << 1462712844.18106103 Not so complicated loop (103.33505s) stopped
T25 >> 1462712844.29833102 Complicated loop (144.08594s) started
T25 << 1462712860.38581705 Complicated loop (160.17342s) stopped
T25 >> 1462712860.38867807 Wait for sum (0.00093s) started
T25 << 1462712860.38876605 Wait for sum (0.00102s) stopped
T25 << 1462712860.38878012 LCAO forces (774.66866s) stopped
T25 << 1462712869.72720098 Force calculation (863.54652s) stopped
T25 >> 1462712869.74622798 Initialization (1158.38592s) started
T25 << 1462712869.74644589 Initialization (1158.38613s) stopped
T25 >> 1462712869.74681497 Initialization (1158.38615s) started
T25 << 1462712869.74696898 Initialization (1158.38631s) stopped
T25 >> 1462712869.74713612 Initialization (1158.38632s) started
T25 << 1462712869.74728799 Initialization (1158.38647s) stopped
T25 >> 1462712893.10391998 Initialization (1158.38649s) started
T25 >> 1462712893.26208806 Basic WFS set positions (1.18622s) started
T25 >> 1462712893.26211190 Redistribute (0.19477s) started
T25 << 1462712893.27292204 Redistribute (0.20558s) stopped
T25 << 1462712893.38704491 Basic WFS set positions (1.31118s) stopped
T25 >> 1462712893.38708210 Basis functions set positions (18.23301s) started
T25 << 1462712895.31789303 Basis functions set positions (20.16382s) stopped
T25 >> 1462712895.31946898 TCI: Calculate S, T, P (232.77631s) started
T25 << 1462712919.05576801 TCI: Calculate S, T, P (256.51261s) stopped
T25 >> 1462712919.05586600 blocked summation (167.06580s) started
T25 << 1462712939.86397600 blocked summation (187.87391s) stopped
T25 >> 1462712939.87623501 Scalapack redistribute (2.74630s) started
T25 << 1462712939.99910808 Scalapack redistribute (2.86918s) stopped
T25 >> 1462712940.00005388 blocked summation (187.87394s) started
T25 << 1462712941.42191505 blocked summation (189.29580s) stopped
T25 >> 1462712941.43223190 Scalapack redistribute (2.86924s) started
T25 << 1462712941.53945494 Scalapack redistribute (2.97647s) stopped
T25 >> 1462712941.54171896 Redistribute (0.43088s) started
T25 << 1462712941.66578603 Redistribute (0.55494s) stopped
T25 >> 1462712943.47950602 Redistribute (0.55497s) started
T25 << 1462712943.48081994 Redistribute (0.55629s) stopped
T25 >> 1462712943.50278306 LCAO WFS Initialize (707.51776s) started
T25 >> 1462712943.50284410 Density initialize from wavefunctions (132.81183s) started
T25 >> 1462712943.50684810 Calculate density matrix (90.73873s) started
T25 << 1462712953.49741793 Calculate density matrix (100.72930s) stopped
T25 >> 1462712953.49747396 Construct density (14.82213s) started
T25 << 1462712955.12659502 Construct density (16.45125s) stopped
T25 >> 1462712955.14078212 Symmetrize density (0.00072s) started
T25 << 1462712955.14083910 Symmetrize density (0.00077s) stopped
T25 << 1462712958.26286602 Density initialize from wavefunctions (147.57185s) stopped
T25 >> 1462712958.26335907 Hamiltonian (573.68352s) started
T25 >> 1462712958.26337695 vbar (0.24727s) started
T25 << 1462712958.27982807 vbar (0.26372s) stopped
T25 >> 1462712958.27991199 XC 3D grid (293.06337s) started
T25 >> 1462712958.73803496 van der Waals (283.07483s) started
T25 >> 1462712958.87513208 semilocal (62.96815s) started
T25 << 1462712965.78714299 semilocal (69.88016s) stopped
T25 >> 1462712965.85844994 redistribute (28.97185s) started
T25 << 1462712967.26651692 redistribute (30.37991s) stopped
T25 >> 1462712967.26658893 libvdwxc nonlocal (189.13019s) started
T25 << 1462712986.73917198 libvdwxc nonlocal (208.60277s) stopped
T25 >> 1462712986.73924208 redistribute (30.37995s) started
T25 << 1462712988.42927694 redistribute (32.06998s) stopped
T25 << 1462712988.43146801 van der Waals (312.76826s) stopped
T25 << 1462712988.91180110 XC 3D grid (323.69526s) stopped
T25 >> 1462712988.91184306 Poisson (159.17990s) started
T25 << 1462713007.69986510 Poisson (177.96793s) stopped
T25 >> 1462713007.69993401 Hartree integrate/restrict (3.90220s) started
T25 << 1462713007.76342702 Hartree integrate/restrict (3.96569s) stopped
T25 >> 1462713007.76350307 Hartree integrate/restrict (3.96575s) started
T25 << 1462713008.07895899 Hartree integrate/restrict (4.28120s) stopped
T25 >> 1462713008.13760495 Atomic (101.73321s) started
T25 >> 1462713008.15214396 XC Correction (73.48692s) started
T25 << 1462713016.56068897 XC Correction (81.89546s) stopped
T25 << 1462713019.21182108 Atomic (112.80743s) stopped
T25 >> 1462713019.21212006 Communicate (14.91996s) started
T25 << 1462713020.39211798 Communicate (16.09996s) stopped
T25 << 1462713020.39214206 Hamiltonian (635.81230s) stopped
T25 << 1462713020.39219904 LCAO WFS Initialize (784.40717s) stopped
T25 << 1462713020.40427089 Initialization (1285.68684s) stopped
T25 >> 1462713020.43208289 SCF-cycle (14589.84113s) started
T25 >> 1462713020.43212795 LCAO eigensolver (7702.77009s) started
T25 >> 1462713020.43214107 Potential matrix (262.15848s) started
T25 << 1462713022.81546307 Potential matrix (264.54181s) stopped
T25 >> 1462713022.81554604 DistributedAtomicCorrection (110.40468s) started
T25 << 1462713023.79327703 DistributedAtomicCorrection (111.38242s) stopped
T25 >> 1462713023.79332089 Distribute overlap matrix (579.22990s) started
T25 >> 1462713023.79336691 blocked summation (565.96398s) started
T25 << 1462713029.35104609 blocked summation (571.52165s) stopped
T25 >> 1462713029.36038494 Scalapack redistribute (12.21896s) started
T25 << 1462713029.46999502 Scalapack redistribute (12.32857s) stopped
T25 << 1462713029.47010207 Distribute overlap matrix (584.90668s) stopped
T25 >> 1462713029.47427201 Blacs Orbital Layouts (6209.99736s) started
T25 >> 1462713029.48223209 General diagonalize (6184.04878s) started
T25 << 1462713087.25709295 General diagonalize (6241.82364s) stopped
T25 >> 1462713087.25713897 Redistribute coefs (2.10167s) started
T25 << 1462713087.27229190 Redistribute coefs (2.11682s) stopped
T25 >> 1462713087.27233410 Send coefs to domains (22.87603s) started
T25 << 1462713087.36933899 Send coefs to domains (22.97304s) stopped
T25 << 1462713087.36979890 Blacs Orbital Layouts (6267.89289s) stopped
T25 >> 1462713087.36982799 Calculate projections (540.34028s) started
T25 << 1462713092.20840406 Calculate projections (545.17886s) stopped
T25 << 1462713092.20874095 LCAO eigensolver (7774.54671s) stopped
T25 >> 1462713093.44899511 Density (1698.41361s) started
T25 >> 1462713093.44900990 Pseudo density (1383.83388s) started
T25 >> 1462713093.45021009 Calculate density matrix (1214.66689s) started
T25 << 1462713106.07380104 Calculate density matrix (1227.29048s) stopped
T25 >> 1462713106.07385898 Construct density (165.15732s) started
T25 << 1462713107.69809389 Construct density (166.78155s) stopped
T25 >> 1462713107.71352100 Symmetrize density (0.00784s) started
T25 << 1462713107.71358109 Symmetrize density (0.00791s) stopped
T25 << 1462713107.71560788 Pseudo density (1398.10048s) stopped
T25 >> 1462713107.71566010 Atomic density matrices (261.18375s) started
T25 << 1462713110.39231491 Atomic density matrices (263.86040s) stopped
T25 >> 1462713110.39235806 Multipole moments (0.87147s) started
T25 << 1462713110.40161490 Multipole moments (0.88072s) stopped
T25 >> 1462713110.40166998 Normalize (0.84985s) started
T25 << 1462713110.40800905 Normalize (0.85619s) stopped
T25 >> 1462713110.40811491 Mix (51.66473s) started
T25 << 1462713110.83956599 Mix (52.09618s) stopped
T25 << 1462713110.83967209 Density (1715.80429s) stopped
T25 >> 1462713110.83983397 Hamiltonian (5041.72727s) started
T25 >> 1462713110.83993196 vbar (2.80878s) started
T25 << 1462713110.86572790 vbar (2.83458s) stopped
T25 >> 1462713110.86581707 XC 3D grid (3003.29292s) started
T25 >> 1462713111.37104297 van der Waals (2902.97526s) started
T25 >> 1462713111.50532889 semilocal (643.29124s) started
T25 << 1462713118.11690211 semilocal (649.90281s) stopped
T25 >> 1462713118.21918797 redistribute (327.07660s) started
T25 << 1462713119.75128388 redistribute (328.60870s) stopped
T25 >> 1462713119.75133204 libvdwxc nonlocal (1911.56471s) started
T25 << 1462713139.36987805 libvdwxc nonlocal (1931.18325s) stopped
T25 >> 1462713139.36992097 redistribute (328.60873s) started
T25 << 1462713141.04089999 redistribute (330.27971s) stopped
T25 << 1462713141.04328704 van der Waals (2932.64750s) stopped
T25 << 1462713141.52292800 XC 3D grid (3033.95004s) stopped
T25 >> 1462713141.52297306 Poisson (911.96279s) started
T25 << 1462713169.97966909 Poisson (940.41948s) stopped
T25 >> 1462713169.97981405 Hartree integrate/restrict (38.60351s) started
T25 << 1462713170.03643703 Hartree integrate/restrict (38.66014s) stopped
T25 >> 1462713170.03649998 Hartree integrate/restrict (38.66018s) started
T25 << 1462713170.35695910 Hartree integrate/restrict (38.98064s) stopped
T25 >> 1462713170.41687703 Atomic (892.54387s) started
T25 >> 1462713170.43050003 XC Correction (663.68975s) started
T25 << 1462713178.32816696 XC Correction (671.58742s) stopped
T25 << 1462713180.96859503 Atomic (903.09559s) stopped
T25 >> 1462713180.96881104 Communicate (187.09047s) started
T25 << 1462713182.31208396 Communicate (188.43374s) stopped
T25 << 1462713182.31210899 Hamiltonian (5113.19954s) stopped
T25 >> 1462713182.31220698 LCAO eigensolver (7774.54673s) started
T25 >> 1462713182.31222200 Potential matrix (264.54185s) started
T25 << 1462713184.69938207 Potential matrix (266.92901s) stopped
T25 >> 1462713184.69946599 DistributedAtomicCorrection (111.38245s) started
T25 << 1462713185.62187290 DistributedAtomicCorrection (112.30486s) stopped
T25 >> 1462713185.62191606 Distribute overlap matrix (584.90670s) started
T25 >> 1462713185.62196207 blocked summation (571.52169s) started
T25 << 1462713190.91494489 blocked summation (576.81467s) stopped
T25 >> 1462713190.92480493 Scalapack redistribute (12.32863s) started
T25 << 1462713191.02081394 Scalapack redistribute (12.42464s) stopped
T25 << 1462713191.02089310 Distribute overlap matrix (590.30568s) stopped
T25 >> 1462713191.02501607 Blacs Orbital Layouts (6267.89291s) started
T25 >> 1462713191.03303909 General diagonalize (6241.82368s) started
T25 << 1462713248.38984489 General diagonalize (6299.18049s) stopped
T25 >> 1462713248.38988996 Redistribute coefs (2.11685s) started
T25 << 1462713248.40480399 Redistribute coefs (2.13177s) stopped
T25 >> 1462713248.40484691 Send coefs to domains (22.97308s) started
T25 << 1462713248.74793410 Send coefs to domains (23.31616s) stopped
T25 << 1462713248.74850392 Blacs Orbital Layouts (6325.61639s) stopped
T25 >> 1462713248.74853492 Calculate projections (545.17891s) started
T25 << 1462713253.61067796 Calculate projections (550.04105s) stopped
T25 << 1462713253.61100698 LCAO eigensolver (7845.84553s) stopped
T25 >> 1462713254.81303310 Density (1715.80431s) started
T25 >> 1462713254.81304908 Pseudo density (1398.10052s) started
T25 >> 1462713254.81424904 Calculate density matrix (1227.29052s) started
T25 << 1462713267.52373695 Calculate density matrix (1240.00001s) stopped
T25 >> 1462713267.52379608 Construct density (166.78160s) started
T25 << 1462713269.15560889 Construct density (168.41342s) stopped
T25 >> 1462713269.16998100 Symmetrize density (0.00792s) started
T25 << 1462713269.17005205 Symmetrize density (0.00799s) stopped
T25 << 1462713269.17209005 Pseudo density (1412.45956s) stopped
T25 >> 1462713269.17214608 Atomic density matrices (263.86043s) started
T25 << 1462713271.79754305 Atomic density matrices (266.48583s) stopped
T25 >> 1462713271.79758692 Multipole moments (0.88074s) started
T25 << 1462713271.80723095 Multipole moments (0.89038s) stopped
T25 >> 1462713271.80728602 Normalize (0.85627s) started
T25 << 1462713271.81403589 Normalize (0.86302s) stopped
T25 >> 1462713271.81411791 Mix (52.09628s) started
T25 << 1462713272.24993396 Mix (52.53210s) stopped
T25 << 1462713272.25003195 Density (1733.24131s) stopped
T25 >> 1462713272.25016499 Hamiltonian (5113.19955s) started
T25 >> 1462713272.25018406 vbar (2.83463s) started
T25 << 1462713272.28127789 vbar (2.86572s) stopped
T25 >> 1462713272.28143811 XC 3D grid (3033.95007s) started
T25 >> 1462713272.79964399 van der Waals (2932.64760s) started
T25 >> 1462713272.93484402 semilocal (649.90294s) started
T25 << 1462713279.68218589 semilocal (656.65028s) stopped
T25 >> 1462713279.76950502 redistribute (330.27983s) started
T25 << 1462713281.17356491 redistribute (331.68389s) stopped
T25 >> 1462713281.17361307 libvdwxc nonlocal (1931.18329s) started
T25 << 1462713300.77173710 libvdwxc nonlocal (1950.78141s) stopped
T25 >> 1462713300.77180505 redistribute (331.68393s) started
T25 << 1462713302.45128393 redistribute (333.36341s) stopped
T25 << 1462713302.45363498 van der Waals (2962.30159s) stopped
T25 << 1462713302.92687798 XC 3D grid (3064.59551s) stopped
T25 >> 1462713302.92692208 Poisson (940.41960s) started
T25 << 1462713320.44093609 Poisson (957.93361s) stopped
T25 >> 1462713320.44104791 Hartree integrate/restrict (38.98068s) started
T25 << 1462713320.50534511 Hartree integrate/restrict (39.04498s) stopped
T25 >> 1462713320.50539589 Hartree integrate/restrict (39.04501s) started
T25 << 1462713320.82104707 Hartree integrate/restrict (39.36066s) stopped
T25 >> 1462713320.88059402 Atomic (903.09561s) started
T25 >> 1462713320.89413905 XC Correction (671.58744s) started
T25 << 1462713328.56372309 XC Correction (679.25702s) stopped
T25 << 1462713330.25826812 Atomic (912.47328s) stopped
T25 >> 1462713330.25848103 Communicate (188.43376s) started
T25 << 1462713332.76090407 Communicate (190.93618s) stopped
T25 << 1462713332.76092792 Hamiltonian (5173.71032s) stopped
T25 >> 1462713332.76102090 LCAO eigensolver (7845.84555s) started
T25 >> 1462713332.76103592 Potential matrix (266.92906s) started
T25 << 1462713335.12939811 Potential matrix (269.29742s) stopped
T25 >> 1462713335.12948489 DistributedAtomicCorrection (112.30489s) started
T25 << 1462713336.07259393 DistributedAtomicCorrection (113.24800s) stopped
T25 >> 1462713336.07263708 Distribute overlap matrix (590.30569s) started
T25 >> 1462713336.07269001 blocked summation (576.81470s) started
T25 << 1462713341.46817398 blocked summation (582.21019s) stopped
T25 >> 1462713341.47716689 Scalapack redistribute (12.42470s) started
T25 << 1462713341.58367205 Scalapack redistribute (12.53121s) stopped
T25 << 1462713341.58377004 Distribute overlap matrix (595.81682s) stopped
T25 >> 1462713341.58807707 Blacs Orbital Layouts (6325.61642s) started
T25 >> 1462713341.59592104 General diagonalize (6299.18052s) started
T25 << 1462713396.93718100 General diagonalize (6354.52178s) stopped
T25 >> 1462713396.93722892 Redistribute coefs (2.13180s) started
T25 << 1462713396.95982194 Redistribute coefs (2.15439s) stopped
T25 >> 1462713396.95986104 Send coefs to domains (23.31620s) started
T25 << 1462713397.07989693 Send coefs to domains (23.43624s) stopped
T25 << 1462713397.08031607 Blacs Orbital Layouts (6381.10866s) stopped
T25 >> 1462713397.08034611 Calculate projections (550.04110s) started
T25 << 1462713401.94813895 Calculate projections (554.90890s) stopped
T25 << 1462713401.94848108 LCAO eigensolver (7915.03301s) stopped
T25 >> 1462713403.13851905 Density (1733.24132s) started
T25 >> 1462713403.13853407 Pseudo density (1412.45961s) started
T25 >> 1462713403.13981700 Calculate density matrix (1240.00005s) started
T25 << 1462713415.78062391 Calculate density matrix (1252.64086s) stopped
T25 >> 1462713415.78067899 Construct density (168.41347s) started
T25 << 1462713417.41303992 Construct density (170.04583s) stopped
T25 >> 1462713417.42761993 Symmetrize density (0.00801s) started
T25 << 1462713417.42768502 Symmetrize density (0.00808s) stopped
T25 << 1462713417.42971802 Pseudo density (1426.75079s) stopped
T25 >> 1462713417.42981410 Atomic density matrices (266.48585s) started
T25 << 1462713420.05119300 Atomic density matrices (269.10723s) stopped
T25 >> 1462713420.05123711 Multipole moments (0.89040s) started
T25 << 1462713420.06098104 Multipole moments (0.90015s) stopped
T25 >> 1462713420.06103897 Normalize (0.86308s) started
T25 << 1462713420.06774902 Normalize (0.86979s) stopped
T25 >> 1462713420.06784892 Mix (52.53218s) started
T25 << 1462713420.54373908 Mix (53.00807s) stopped
T25 << 1462713420.54384303 Density (1750.64665s) stopped
T25 >> 1462713420.54398394 Hamiltonian (5173.71033s) started
T25 >> 1462713420.54400110 vbar (2.86581s) started
T25 << 1462713420.57208395 vbar (2.89389s) stopped
T25 >> 1462713420.57215905 XC 3D grid (3064.59555s) started
T25 >> 1462713421.07488608 van der Waals (2962.30170s) started
T25 >> 1462713421.20887399 semilocal (656.65034s) started
T25 << 1462713428.06521010 semilocal (663.50667s) stopped
T25 >> 1462713428.15037608 redistribute (333.36353s) started
T25 << 1462713429.58703208 redistribute (334.80018s) stopped
T25 >> 1462713429.58707809 libvdwxc nonlocal (1950.78146s) started
T25 << 1462713448.84266591 libvdwxc nonlocal (1970.03705s) stopped
T25 >> 1462713448.84271693 redistribute (334.80022s) started
T25 << 1462713450.51338601 redistribute (336.47089s) stopped
T25 << 1462713450.51583600 van der Waals (2991.74265s) stopped
T25 << 1462713450.99267793 XC 3D grid (3095.01606s) stopped
T25 >> 1462713450.99272108 Poisson (957.93367s) started
T25 << 1462713471.10617399 Poisson (978.04712s) stopped
T25 >> 1462713471.10625196 Hartree integrate/restrict (39.36072s) started
T25 << 1462713471.16179109 Hartree integrate/restrict (39.41626s) stopped
T25 >> 1462713471.16185403 Hartree integrate/restrict (39.41630s) started
T25 << 1462713471.47915101 Hartree integrate/restrict (39.73359s) stopped
T25 >> 1462713471.53955293 Atomic (912.47330s) started
T25 >> 1462713471.55326509 XC Correction (679.25704s) started
T25 << 1462713479.24115705 XC Correction (686.94494s) stopped
T25 << 1462713480.99742889 Atomic (921.93118s) stopped
T25 >> 1462713480.99766302 Communicate (190.93620s) started
T25 << 1462713482.98206306 Communicate (192.92060s) stopped
T25 << 1462713482.98209000 Hamiltonian (5236.14844s) stopped
T25 >> 1462713482.98218989 LCAO eigensolver (7915.03303s) started
T25 >> 1462713482.98220396 Potential matrix (269.29747s) started
T25 << 1462713485.36139011 Potential matrix (271.67666s) stopped
T25 >> 1462713485.36147308 DistributedAtomicCorrection (113.24804s) started
T25 << 1462713486.30290699 DistributedAtomicCorrection (114.18947s) stopped
T25 >> 1462713486.30295110 Distribute overlap matrix (595.81683s) started
T25 >> 1462713486.30300307 blocked summation (582.21022s) started
T25 << 1462713491.62260008 blocked summation (587.52982s) stopped
T25 >> 1462713491.63225102 Scalapack redistribute (12.53128s) started
T25 << 1462713491.76730990 Scalapack redistribute (12.66634s) stopped
T25 << 1462713491.76739812 Distribute overlap matrix (601.28128s) stopped
T25 >> 1462713491.77185106 Blacs Orbital Layouts (6381.10867s) started
T25 >> 1462713491.78026104 General diagonalize (6354.52182s) started
T25 << 1462713548.49029112 General diagonalize (6411.23185s) stopped
T25 >> 1462713548.49033594 Redistribute coefs (2.15442s) started
T25 << 1462713548.50551391 Redistribute coefs (2.16960s) stopped
T25 >> 1462713548.50555706 Send coefs to domains (23.43628s) started
T25 << 1462713548.71845698 Send coefs to domains (23.64918s) stopped
T25 << 1462713548.71912599 Blacs Orbital Layouts (6438.05595s) stopped
T25 >> 1462713548.71915507 Calculate projections (554.90895s) started
T25 << 1462713553.60114408 Calculate projections (559.79093s) stopped
T25 << 1462713553.60153794 LCAO eigensolver (7985.65238s) stopped
T25 >> 1462713554.74025202 Density (1750.64667s) started
T25 >> 1462713554.74026704 Pseudo density (1426.75088s) started
T25 >> 1462713554.74177098 Calculate density matrix (1252.64089s) started
T25 << 1462713567.45358396 Calculate density matrix (1265.35271s) stopped
T25 >> 1462713567.45363808 Construct density (170.04588s) started
T25 << 1462713569.07885504 Construct density (171.67110s) stopped
T25 >> 1462713569.09341407 Symmetrize density (0.00810s) started
T25 << 1462713569.09347796 Symmetrize density (0.00816s) stopped
T25 << 1462713569.09605694 Pseudo density (1441.10667s) stopped
T25 >> 1462713569.09611893 Atomic density matrices (269.10726s) started
T25 << 1462713571.77689195 Atomic density matrices (271.78803s) stopped
T25 >> 1462713571.77693701 Multipole moments (0.90016s) started
T25 << 1462713571.78720999 Multipole moments (0.91044s) stopped
T25 >> 1462713571.78726602 Normalize (0.86986s) started
T25 << 1462713571.79432106 Normalize (0.87692s) stopped
T25 >> 1462713571.79440594 Mix (53.00817s) started
T25 << 1462713572.30632496 Mix (53.52009s) stopped
T25 << 1462713572.30642295 Density (1768.21284s) stopped
T25 >> 1462713572.30657697 Hamiltonian (5236.14845s) started
T25 >> 1462713572.30659699 vbar (2.89393s) started
T25 << 1462713572.34213996 vbar (2.92947s) stopped
T25 >> 1462713572.34228706 XC 3D grid (3095.01610s) started
T25 >> 1462713572.84112191 van der Waals (2991.74277s) started
T25 >> 1462713572.97624993 semilocal (663.50677s) started
T25 << 1462713580.38870406 semilocal (670.91922s) stopped
T25 >> 1462713580.46353793 redistribute (336.47101s) started
T25 << 1462713607.91751194 redistribute (363.92499s) stopped
T25 >> 1462713607.91755605 libvdwxc nonlocal (1970.03709s) started
T25 << 1462713626.88386202 libvdwxc nonlocal (1989.00339s) stopped
T25 >> 1462713626.88392997 redistribute (363.92502s) started
T25 << 1462713628.80183101 redistribute (365.84292s) stopped
T25 << 1462713628.80419207 van der Waals (3047.70584s) stopped
T25 << 1462713629.28131509 XC 3D grid (3151.95513s) stopped
T25 >> 1462713629.28135705 Poisson (978.04718s) started
T25 << 1462713646.55265307 Poisson (995.31847s) stopped
T25 >> 1462713646.55275512 Hartree integrate/restrict (39.73365s) started
T25 << 1462713646.59411311 Hartree integrate/restrict (39.77501s) stopped
T25 >> 1462713646.59423304 Hartree integrate/restrict (39.77510s) started
T25 << 1462713646.97100997 Hartree integrate/restrict (40.15187s) stopped
T25 >> 1462713647.02770805 Atomic (921.93120s) started
T25 >> 1462713647.04161191 XC Correction (686.94496s) started
T25 << 1462713654.74362707 XC Correction (694.64697s) stopped
T25 << 1462713656.45083308 Atomic (931.35432s) stopped
T25 >> 1462713656.45104909 Communicate (192.92062s) started
T25 << 1462713658.48514700 Communicate (194.95471s) stopped
T25 << 1462713658.48517108 Hamiltonian (5322.32704s) stopped
T25 >> 1462713658.48525691 LCAO eigensolver (7985.65239s) started
T25 >> 1462713658.48527193 Potential matrix (271.67671s) started
T25 << 1462713660.85914207 Potential matrix (274.05058s) stopped
T25 >> 1462713660.85924196 DistributedAtomicCorrection (114.18951s) started
T25 << 1462713661.76756692 DistributedAtomicCorrection (115.09783s) stopped
T25 >> 1462713661.76761508 Distribute overlap matrix (601.28129s) started
T25 >> 1462713661.76765490 blocked summation (587.52985s) started
T25 << 1462713667.12811208 blocked summation (592.89031s) stopped
T25 >> 1462713667.13874006 Scalapack redistribute (12.66640s) started
T25 << 1462713667.25805092 Scalapack redistribute (12.78571s) stopped
T25 << 1462713667.25810409 Distribute overlap matrix (606.77178s) stopped
T25 >> 1462713667.26405597 Blacs Orbital Layouts (6438.05597s) started
T25 >> 1462713667.27236700 General diagonalize (6411.23189s) started
T25 << 1462713723.67912412 General diagonalize (6467.63864s) stopped
T25 >> 1462713723.67916799 Redistribute coefs (2.16963s) started
T25 << 1462713723.69436908 Redistribute coefs (2.18483s) stopped
T25 >> 1462713723.69441104 Send coefs to domains (23.64922s) started
T25 << 1462713723.79153299 Send coefs to domains (23.74634s) stopped
T25 << 1462713723.79196906 Blacs Orbital Layouts (6494.58388s) stopped
T25 >> 1462713723.79199910 Calculate projections (559.79099s) started
T25 << 1462713728.67353511 Calculate projections (564.67253s) stopped
T25 << 1462713728.67384601 LCAO eigensolver (8055.84098s) stopped
T25 >> 1462713729.82174706 Density (1768.21286s) started
T25 >> 1462713729.82179093 Pseudo density (1441.10672s) started
T25 >> 1462713729.82332110 Calculate density matrix (1265.35274s) started
T25 << 1462713742.59162807 Calculate density matrix (1278.12105s) stopped
T25 >> 1462713742.59168601 Construct density (171.67116s) started
T25 << 1462713744.21928596 Construct density (173.29876s) stopped
T25 >> 1462713744.23328590 Symmetrize density (0.00818s) started
T25 << 1462713744.23335099 Symmetrize density (0.00824s) stopped
T25 << 1462713744.23566389 Pseudo density (1455.52059s) stopped
T25 >> 1462713744.23572493 Atomic density matrices (271.78805s) started
T25 << 1462713746.89516091 Atomic density matrices (274.44749s) stopped
T25 >> 1462713746.89520502 Multipole moments (0.91045s) started
T25 << 1462713746.90444398 Multipole moments (0.91969s) stopped
T25 >> 1462713746.90450001 Normalize (0.87699s) started
T25 << 1462713746.91160202 Normalize (0.88409s) stopped
T25 >> 1462713746.91167903 Mix (53.52018s) started
T25 << 1462713747.48024011 Mix (54.08874s) stopped
T25 << 1462713747.48030710 Density (1785.87142s) stopped
T25 >> 1462713747.48041797 Hamiltonian (5322.32705s) started
T25 >> 1462713747.48043609 vbar (2.92955s) started
T25 << 1462713747.50770307 vbar (2.95682s) stopped
T25 >> 1462713747.50786209 XC 3D grid (3151.95516s) started
T25 >> 1462713748.00164390 van der Waals (3047.70594s) started
T25 >> 1462713748.13563395 semilocal (670.91930s) started
T25 << 1462713755.03282189 semilocal (677.81649s) stopped
T25 >> 1462713755.09511805 redistribute (365.84305s) started
T25 << 1462713826.89711809 redistribute (437.64505s) stopped
T25 >> 1462713826.89716697 libvdwxc nonlocal (1989.00345s) started
T25 << 1462713845.69401193 libvdwxc nonlocal (2007.80029s) stopped
T25 >> 1462713845.69406891 redistribute (437.64508s) started
T25 << 1462713847.63728094 redistribute (439.58830s) stopped
T25 << 1462713847.63932705 van der Waals (3147.34363s) stopped
T25 << 1462713848.12902904 XC 3D grid (3252.57633s) stopped
T25 >> 1462713848.12906790 Poisson (995.31855s) started
T25 << 1462713866.85150695 Poisson (1014.04099s) stopped
T25 >> 1462713866.85159111 Hartree integrate/restrict (40.15195s) started
T25 << 1462713866.89117908 Hartree integrate/restrict (40.19154s) stopped
T25 >> 1462713866.89124298 Hartree integrate/restrict (40.19158s) started
T25 << 1462713867.23673797 Hartree integrate/restrict (40.53707s) stopped
T25 >> 1462713867.29299307 Atomic (931.35434s) started
T25 >> 1462713867.30690694 XC Correction (694.64699s) started
T25 << 1462713874.99083710 XC Correction (702.33092s) stopped
T25 << 1462713876.71710396 Atomic (940.77845s) stopped
T25 >> 1462713876.71732497 Communicate (194.95473s) started
T25 << 1462713878.51690102 Communicate (196.75431s) stopped
T25 << 1462713878.51692605 Hamiltonian (5453.36356s) stopped
T25 >> 1462713878.51702404 LCAO eigensolver (8055.84100s) started
T25 >> 1462713878.51703906 Potential matrix (274.05063s) started
T25 << 1462713880.89125800 Potential matrix (276.42485s) stopped
T25 >> 1462713880.89135098 DistributedAtomicCorrection (115.09787s) started
T25 << 1462713881.83409405 DistributedAtomicCorrection (116.04062s) stopped
T25 >> 1462713881.83414412 Distribute overlap matrix (606.77179s) started
T25 >> 1462713881.83419108 blocked summation (592.89034s) started
T25 << 1462713887.15550900 blocked summation (598.21166s) stopped
T25 >> 1462713887.16455412 Scalapack redistribute (12.78575s) started
T25 << 1462713887.26973701 Scalapack redistribute (12.89093s) stopped
T25 << 1462713887.26980901 Distribute overlap matrix (612.20746s) stopped
T25 >> 1462713887.27510309 Blacs Orbital Layouts (6494.58390s) started
T25 >> 1462713887.28320003 General diagonalize (6467.63868s) started
T25 << 1462713942.54351306 General diagonalize (6522.89899s) stopped
T25 >> 1462713942.54355907 Redistribute coefs (2.18486s) started
T25 << 1462713942.55886197 Redistribute coefs (2.20017s) stopped
T25 >> 1462713942.55890393 Send coefs to domains (23.74638s) started
T25 << 1462713942.65350795 Send coefs to domains (23.84098s) stopped
T25 << 1462713942.65400100 Blacs Orbital Layouts (6549.96280s) stopped
T25 >> 1462713942.65402889 Calculate projections (564.67258s) started
T25 << 1462713947.54613090 Calculate projections (569.56468s) stopped
T25 << 1462713947.54644895 LCAO eigensolver (8124.87043s) stopped
T25 >> 1462713948.69198608 Density (1785.87143s) started
T25 >> 1462713948.69200206 Pseudo density (1455.52064s) started
T25 >> 1462713948.69399405 Calculate density matrix (1278.12109s) started
T25 << 1462713961.47497511 Calculate density matrix (1290.90207s) stopped
T25 >> 1462713961.47502899 Construct density (173.29881s) started
T25 << 1462713963.10047507 Construct density (174.92426s) stopped
T25 >> 1462713963.11792111 Symmetrize density (0.00826s) started
T25 << 1462713963.11799097 Symmetrize density (0.00833s) stopped
T25 << 1462713963.12030792 Pseudo density (1469.94894s) stopped
T25 >> 1462713963.12036896 Atomic density matrices (274.44751s) started
T25 << 1462713965.77609491 Atomic density matrices (277.10324s) stopped
T25 >> 1462713965.77613997 Multipole moments (0.91971s) started
T25 << 1462713965.78478694 Multipole moments (0.92836s) stopped
T25 >> 1462713965.78484297 Normalize (0.88415s) started
T25 << 1462713965.79192209 Normalize (0.89123s) stopped
T25 >> 1462713965.79200792 Mix (54.08881s) started
T25 << 1462713966.34249496 Mix (54.63929s) stopped
T25 << 1462713966.34257889 Density (1803.52203s) stopped
T25 >> 1462713966.34270000 Hamiltonian (5453.36358s) started
T25 >> 1462713966.34271693 vbar (2.95691s) started
T25 << 1462713966.37350106 vbar (2.98769s) stopped
T25 >> 1462713966.37369990 XC 3D grid (3252.57636s) started
T25 >> 1462713966.86405993 van der Waals (3147.34372s) started
T25 >> 1462713967.00021791 semilocal (677.81656s) started
T25 << 1462713974.00479102 semilocal (684.82113s) stopped
T25 >> 1462713974.06799293 redistribute (439.58841s) started
T25 << 1462713992.84590292 redistribute (458.36632s) stopped
T25 >> 1462713992.84594798 libvdwxc nonlocal (2007.80033s) started
T25 << 1462714011.49289203 libvdwxc nonlocal (2026.44728s) stopped
T25 >> 1462714011.49295592 redistribute (458.36636s) started
T25 << 1462714013.32832599 redistribute (460.20173s) stopped
T25 << 1462714013.33056211 van der Waals (3193.81022s) stopped
T25 << 1462714013.80481195 XC 3D grid (3300.00747s) stopped
T25 >> 1462714013.80485296 Poisson (1014.04105s) started
T25 << 1462714034.92220712 Poisson (1035.15840s) stopped
T25 >> 1462714034.92232203 Hartree integrate/restrict (40.53713s) started
T25 << 1462714034.96552610 Hartree integrate/restrict (40.58033s) stopped
T25 >> 1462714034.96560097 Hartree integrate/restrict (40.58038s) started
T25 << 1462714035.29956293 Hartree integrate/restrict (40.91434s) stopped
T25 >> 1462714035.35657501 Atomic (940.77847s) started
T25 >> 1462714035.37048411 XC Correction (702.33095s) started
T25 << 1462714042.98304009 XC Correction (709.94351s) stopped
T25 << 1462714044.64858508 Atomic (950.07048s) stopped
T25 >> 1462714044.64881897 Communicate (196.75432s) started
T25 << 1462714046.60163593 Communicate (198.70714s) stopped
T25 << 1462714046.60166192 Hamiltonian (5533.62254s) stopped
T25 >> 1462714046.60175300 LCAO eigensolver (8124.87044s) started
T25 >> 1462714046.60176802 Potential matrix (276.42490s) started
T25 << 1462714048.97870803 Potential matrix (278.80184s) stopped
T25 >> 1462714048.97880507 DistributedAtomicCorrection (116.04066s) started
T25 << 1462714049.90753603 DistributedAtomicCorrection (116.96939s) stopped
T25 >> 1462714049.90758491 Distribute overlap matrix (612.20747s) started
T25 >> 1462714049.90762591 blocked summation (598.21169s) started
T25 << 1462714055.21828103 blocked summation (603.52234s) stopped
T25 >> 1462714055.22780490 Scalapack redistribute (12.89097s) started
T25 << 1462714055.33641911 Scalapack redistribute (12.99958s) stopped
T25 << 1462714055.33651400 Distribute overlap matrix (617.63640s) stopped
T25 >> 1462714055.34137988 Blacs Orbital Layouts (6549.96282s) started
T25 >> 1462714055.34972191 General diagonalize (6522.89903s) started
T25 << 1462714111.60373998 General diagonalize (6579.15305s) stopped
T25 >> 1462714111.60381389 Redistribute coefs (2.20020s) started
T25 << 1462714111.62336898 Redistribute coefs (2.21975s) stopped
T25 >> 1462714111.62341809 Send coefs to domains (23.84102s) started
T25 << 1462714111.71478605 Send coefs to domains (23.93238s) stopped
T25 << 1462714111.71532297 Blacs Orbital Layouts (6606.33676s) stopped
T25 >> 1462714111.71535110 Calculate projections (569.56474s) started
T25 << 1462714116.57018709 Calculate projections (574.41957s) stopped
T25 << 1462714116.57055593 LCAO eigensolver (8194.83924s) stopped
T25 >> 1462714117.76951289 Density (1803.52204s) started
T25 >> 1462714117.76952791 Pseudo density (1469.94899s) started
T25 >> 1462714117.77080607 Calculate density matrix (1290.90210s) started
T25 << 1462714130.54531193 Calculate density matrix (1303.67661s) stopped
T25 >> 1462714130.54536891 Construct density (174.92431s) started
T25 << 1462714132.17111206 Construct density (176.55006s) stopped
T25 >> 1462714132.18549204 Symmetrize density (0.00835s) started
T25 << 1462714132.18555307 Symmetrize density (0.00841s) stopped
T25 << 1462714132.18758106 Pseudo density (1484.36705s) stopped
T25 >> 1462714132.18763590 Atomic density matrices (277.10327s) started
T25 << 1462714134.84885192 Atomic density matrices (279.76448s) stopped
T25 >> 1462714134.84889603 Multipole moments (0.92838s) started
T25 << 1462714134.85839009 Multipole moments (0.93787s) stopped
T25 >> 1462714134.85844398 Normalize (0.89129s) started
T25 << 1462714134.86488795 Normalize (0.89774s) stopped
T25 >> 1462714134.86499190 Mix (54.63938s) started
T25 << 1462714135.38777089 Mix (55.16216s) stopped
T25 << 1462714135.38784409 Density (1821.14037s) stopped
T25 >> 1462714135.38795209 Hamiltonian (5533.62255s) started
T25 >> 1462714135.38797498 vbar (2.98780s) started
T25 << 1462714135.41686010 vbar (3.01669s) stopped
T25 >> 1462714135.41698694 XC 3D grid (3300.00750s) started
T25 >> 1462714135.89870691 van der Waals (3193.81033s) started
T25 >> 1462714136.02865911 semilocal (684.82121s) started
T25 << 1462714143.17923093 semilocal (691.97178s) stopped
T25 >> 1462714143.25537109 redistribute (460.20180s) started
T25 << 1462714181.73756909 redistribute (498.68400s) stopped
T25 >> 1462714181.73761392 libvdwxc nonlocal (2026.44733s) started
T25 << 1462714200.94111800 libvdwxc nonlocal (2045.65083s) stopped
T25 >> 1462714200.94120407 redistribute (498.68404s) started
T25 << 1462714202.95340896 redistribute (500.69624s) stopped
T25 << 1462714202.95585895 van der Waals (3260.86748s) stopped
T25 << 1462714203.43255091 XC 3D grid (3368.02307s) stopped
T25 >> 1462714203.43260694 Poisson (1035.15849s) started
T25 << 1462714220.72632003 Poisson (1052.45221s) stopped
T25 >> 1462714220.72642112 Hartree integrate/restrict (40.91441s) started
T25 << 1462714220.77270198 Hartree integrate/restrict (40.96069s) stopped
T25 >> 1462714220.77274394 Hartree integrate/restrict (40.96072s) started
T25 << 1462714221.11973500 Hartree integrate/restrict (41.30771s) stopped
T25 >> 1462714221.17641902 Atomic (950.07050s) started
T25 >> 1462714221.19029903 XC Correction (709.94353s) started
T25 << 1462714228.78641701 XC Correction (717.53965s) stopped
T25 << 1462714230.42365098 Atomic (959.31773s) stopped
T25 >> 1462714230.42386699 Communicate (198.70715s) started
T25 << 1462714232.40783000 Communicate (200.69112s) stopped
T25 << 1462714232.40785503 Hamiltonian (5630.64245s) stopped
T25 >> 1462714232.40794110 LCAO eigensolver (8194.83926s) started
T25 >> 1462714232.40795493 Potential matrix (278.80190s) started
T25 << 1462714234.76867890 Potential matrix (281.16262s) stopped
T25 >> 1462714234.76877904 DistributedAtomicCorrection (116.96943s) started
T25 << 1462714235.69732308 DistributedAtomicCorrection (117.89797s) stopped
T25 >> 1462714235.69737196 Distribute overlap matrix (617.63641s) started
T25 >> 1462714235.69741607 blocked summation (603.52238s) started
T25 << 1462714240.98897505 blocked summation (608.81394s) stopped
T25 >> 1462714240.99865103 Scalapack redistribute (12.99964s) started
T25 << 1462714241.15154791 Scalapack redistribute (13.15254s) stopped
T25 << 1462714241.15165901 Distribute overlap matrix (623.09070s) stopped
T25 >> 1462714241.15850592 Blacs Orbital Layouts (6606.33678s) started
T25 >> 1462714241.16785908 General diagonalize (6579.15311s) started
T25 << 1462714298.22426605 General diagonalize (6636.20952s) stopped
T25 >> 1462714298.22431111 Redistribute coefs (2.21979s) started
T25 << 1462714298.24933696 Redistribute coefs (2.24482s) stopped
T25 >> 1462714298.24937797 Send coefs to domains (23.93242s) started
T25 << 1462714298.74499989 Send coefs to domains (24.42805s) stopped
T25 << 1462714298.74546909 Blacs Orbital Layouts (6663.92374s) stopped
T25 >> 1462714298.74550009 Calculate projections (574.41962s) started
T25 << 1462714303.63934588 Calculate projections (579.31347s) stopped
T25 << 1462714303.63968205 LCAO eigensolver (8266.07100s) stopped
T25 >> 1462714304.81836700 Density (1821.14039s) started
T25 >> 1462714304.81838202 Pseudo density (1484.36709s) started
T25 >> 1462714304.81988001 Calculate density matrix (1303.67665s) started
T25 << 1462714317.46410799 Calculate density matrix (1316.32088s) stopped
T25 >> 1462714317.46416306 Construct density (176.55011s) started
T25 << 1462714319.09415698 Construct density (178.18010s) stopped
T25 >> 1462714319.10786605 Symmetrize density (0.00842s) started
T25 << 1462714319.10792804 Symmetrize density (0.00849s) stopped
T25 << 1462714319.11025810 Pseudo density (1498.65897s) stopped
T25 >> 1462714319.11032009 Atomic density matrices (279.76451s) started
T25 << 1462714321.77455211 Atomic density matrices (282.42874s) stopped
T25 >> 1462714321.77459598 Multipole moments (0.93789s) started
T25 << 1462714321.78388095 Multipole moments (0.94717s) stopped
T25 >> 1462714321.78393698 Normalize (0.89782s) started
T25 << 1462714321.79108691 Normalize (0.90497s) stopped
T25 >> 1462714321.79116607 Mix (55.16223s) started
T25 << 1462714322.36689401 Mix (55.73795s) stopped
T25 << 1462714322.36697793 Density (1838.68900s) stopped
T25 >> 1462714322.36710906 Hamiltonian (5630.64247s) started
T25 >> 1462714322.36712599 vbar (3.01676s) started
T25 << 1462714322.39645195 vbar (3.04608s) stopped
T25 >> 1462714322.39660311 XC 3D grid (3368.02311s) started
T25 >> 1462714322.89150596 van der Waals (3260.86759s) started
T25 >> 1462714323.02339602 semilocal (691.97187s) started
T25 << 1462714329.90954089 semilocal (698.85801s) stopped
T25 >> 1462714329.97912097 redistribute (500.69636s) started
T25 << 1462714331.11809206 redistribute (501.83534s) stopped
T25 >> 1462714331.11813903 libvdwxc nonlocal (2045.65090s) started
T25 << 1462714350.00554991 libvdwxc nonlocal (2064.53831s) stopped
T25 >> 1462714350.00561905 redistribute (501.83537s) started
T25 << 1462714352.00315189 redistribute (503.83290s) stopped
T25 << 1462714352.00523901 van der Waals (3289.98132s) stopped
T25 << 1462714352.48404908 XC 3D grid (3398.11056s) stopped
T25 >> 1462714352.48409104 Poisson (1052.45229s) started
T25 << 1462714365.43304706 Poisson (1065.40125s) stopped
T25 >> 1462714365.43312502 Hartree integrate/restrict (41.30777s) started
T25 << 1462714365.47549391 Hartree integrate/restrict (41.35014s) stopped
T25 >> 1462714365.47558308 Hartree integrate/restrict (41.35019s) started
T25 << 1462714365.81900597 Hartree integrate/restrict (41.69362s) stopped
T25 >> 1462714365.87995791 Atomic (959.31775s) started
T25 >> 1462714365.89374399 XC Correction (717.53967s) started
T25 << 1462714373.42110705 XC Correction (725.06703s) stopped
T25 << 1462714375.00998402 Atomic (968.44778s) stopped
T25 >> 1462714375.01020002 Communicate (200.69113s) started
T25 << 1462714377.10382390 Communicate (202.78476s) stopped
T25 << 1462714377.10385203 Hamiltonian (5685.37921s) stopped
T25 >> 1462714377.10395288 LCAO eigensolver (8266.07102s) started
T25 >> 1462714377.10396791 Potential matrix (281.16268s) started
T25 << 1462714379.48896503 Potential matrix (283.54767s) stopped
T25 >> 1462714379.48906708 DistributedAtomicCorrection (117.89802s) started
T25 << 1462714380.42786193 DistributedAtomicCorrection (118.83681s) stopped
T25 >> 1462714380.42791104 Distribute overlap matrix (623.09072s) started
T25 >> 1462714380.42799592 blocked summation (608.81397s) started
T25 << 1462714385.73241496 blocked summation (614.11839s) stopped
T25 >> 1462714385.74189305 Scalapack redistribute (13.15262s) started
T25 << 1462714385.86279392 Scalapack redistribute (13.27352s) stopped
T25 << 1462714385.86288810 Distribute overlap matrix (628.52569s) stopped
T25 >> 1462714385.86931109 Blacs Orbital Layouts (6663.92376s) started
T25 >> 1462714385.87744188 General diagonalize (6636.20955s) started
T25 << 1462714442.22201204 General diagonalize (6692.55412s) stopped
T25 >> 1462714442.22205806 Redistribute coefs (2.24485s) started
T25 << 1462714442.23778009 Redistribute coefs (2.26057s) stopped
T25 >> 1462714442.23782206 Send coefs to domains (24.42808s) started
T25 << 1462714442.48833609 Send coefs to domains (24.67860s) stopped
T25 << 1462714442.48890090 Blacs Orbital Layouts (6720.54335s) stopped
T25 >> 1462714442.48893094 Calculate projections (579.31352s) started
T25 << 1462714447.34506011 Calculate projections (584.16965s) stopped
T25 << 1462714447.34544110 LCAO eigensolver (8336.31251s) stopped
T25 >> 1462714448.50915790 Density (1838.68902s) started
T25 >> 1462714448.50917292 Pseudo density (1498.65902s) started
T25 >> 1462714448.51049995 Calculate density matrix (1316.32092s) started
T25 << 1462714461.12634110 Calculate density matrix (1328.93676s) stopped
T25 >> 1462714461.12640810 Construct density (178.18016s) started
T25 << 1462714462.75846696 Construct density (179.81222s) stopped
T25 >> 1462714462.77136898 Symmetrize density (0.00851s) started
T25 << 1462714462.77142692 Symmetrize density (0.00856s) stopped
T25 << 1462714462.77347302 Pseudo density (1512.92332s) stopped
T25 >> 1462714462.77352810 Atomic density matrices (282.42877s) started
T25 << 1462714465.46228409 Atomic density matrices (285.11752s) stopped
T25 >> 1462714465.46232700 Multipole moments (0.94719s) started
T25 << 1462714465.47081900 Multipole moments (0.95568s) stopped
T25 >> 1462714465.47087407 Normalize (0.90503s) started
T25 << 1462714465.47827101 Normalize (0.91243s) stopped
T25 >> 1462714465.47843003 Mix (55.73804s) started
T25 << 1462714466.03921390 Mix (56.29882s) stopped
T25 << 1462714466.03930593 Density (1856.21917s) stopped
T25 >> 1462714466.03948402 Hamiltonian (5685.37922s) started
T25 >> 1462714466.03950405 vbar (3.04616s) started
T25 << 1462714466.06616092 vbar (3.07282s) stopped
T25 >> 1462714466.06628990 XC 3D grid (3398.11059s) started
T25 >> 1462714466.56992412 van der Waals (3289.98143s) started
T25 >> 1462714466.68417192 semilocal (698.85809s) started
T25 << 1462714473.19047093 semilocal (705.36439s) stopped
T25 >> 1462714473.27547503 redistribute (503.83301s) started
T25 << 1462714474.57854795 redistribute (505.13609s) stopped
T25 >> 1462714474.57859206 libvdwxc nonlocal (2064.53836s) started
T25 << 1462714494.17586994 libvdwxc nonlocal (2084.13564s) stopped
T25 >> 1462714494.17591310 redistribute (505.13612s) started
T25 << 1462714495.91857004 redistribute (506.87878s) stopped
T25 << 1462714495.92073202 van der Waals (3319.33224s) stopped
T25 << 1462714496.39679098 XC 3D grid (3428.44109s) stopped
T25 >> 1462714496.39683390 Poisson (1065.40130s) started
T25 << 1462714505.08176899 Poisson (1074.08624s) stopped
T25 >> 1462714505.08186507 Hartree integrate/restrict (41.69368s) started
T25 << 1462714505.13565612 Hartree integrate/restrict (41.74747s) stopped
T25 >> 1462714505.13578105 Hartree integrate/restrict (41.74755s) started
T25 << 1462714505.46447206 Hartree integrate/restrict (42.07624s) stopped
T25 >> 1462714505.52505493 Atomic (968.44780s) started
T25 >> 1462714505.53920603 XC Correction (725.06706s) started
T25 << 1462714513.04939699 XC Correction (732.57725s) stopped
T25 << 1462714514.67046690 Atomic (977.59321s) stopped
T25 >> 1462714514.67067504 Communicate (202.78477s) started
T25 << 1462714516.73580694 Communicate (204.84991s) stopped
T25 << 1462714516.73583198 Hamiltonian (5736.07557s) stopped
T25 >> 1462714516.73592210 LCAO eigensolver (8336.31253s) started
T25 >> 1462714516.73593712 Potential matrix (283.54773s) started
T25 << 1462714519.12291789 Potential matrix (285.93471s) stopped
T25 >> 1462714519.12300205 DistributedAtomicCorrection (118.83685s) started
T25 << 1462714520.04944801 DistributedAtomicCorrection (119.76330s) stopped
T25 >> 1462714520.04949093 Distribute overlap matrix (628.52571s) started
T25 >> 1462714520.04953194 blocked summation (614.11842s) started
T25 << 1462714525.32428789 blocked summation (619.39318s) stopped
T25 >> 1462714525.33372402 Scalapack redistribute (13.27358s) started
T25 << 1462714525.46955299 Scalapack redistribute (13.40941s) stopped
T25 << 1462714525.46963000 Distribute overlap matrix (633.94584s) stopped
T25 >> 1462714525.47519588 Blacs Orbital Layouts (6720.54337s) started
T25 >> 1462714525.48369002 General diagonalize (6692.55416s) started
T25 << 1462714582.25385690 General diagonalize (6749.32433s) stopped
T25 >> 1462714582.25391889 Redistribute coefs (2.26061s) started
T25 << 1462714582.26929688 Redistribute coefs (2.27598s) stopped
T25 >> 1462714582.26934004 Send coefs to domains (24.67865s) started
T25 << 1462714582.37347794 Send coefs to domains (24.78279s) stopped
T25 << 1462714582.37420392 Blacs Orbital Layouts (6777.44238s) stopped
T25 >> 1462714582.37423491 Calculate projections (584.16971s) started
T25 << 1462714587.27056289 Calculate projections (589.06604s) stopped
T25 << 1462714587.27096796 LCAO eigensolver (8406.84758s) stopped
T25 >> 1462714588.45111990 Density (1856.21919s) started
T25 >> 1462714588.45113492 Pseudo density (1512.92336s) started
T25 >> 1462714588.45305896 Calculate density matrix (1328.93680s) started
T25 << 1462714601.10701895 Calculate density matrix (1341.59076s) stopped
T25 >> 1462714601.10707211 Construct density (179.81228s) started
T25 << 1462714602.73900199 Construct density (181.44421s) stopped
T25 >> 1462714602.75302601 Symmetrize density (0.00858s) started
T25 << 1462714602.75309110 Symmetrize density (0.00865s) stopped
T25 << 1462714602.75544596 Pseudo density (1527.22767s) stopped
T25 >> 1462714602.75550699 Atomic density matrices (285.11755s) started
T25 << 1462714605.41418910 Atomic density matrices (287.77623s) stopped
T25 >> 1462714605.41423297 Multipole moments (0.95570s) started
T25 << 1462714605.42336011 Multipole moments (0.96483s) stopped
T25 >> 1462714605.42341495 Normalize (0.91254s) started
T25 << 1462714605.43051505 Normalize (0.91964s) stopped
T25 >> 1462714605.43059707 Mix (56.29891s) started
T25 << 1462714606.01336598 Mix (56.88168s) stopped
T25 << 1462714606.01343393 Density (1873.78150s) stopped
T25 >> 1462714606.01356792 Hamiltonian (5736.07558s) started
T25 >> 1462714606.01358604 vbar (3.07289s) started
T25 << 1462714606.04723907 vbar (3.10654s) stopped
T25 >> 1462714606.04741001 XC 3D grid (3428.44113s) started
T25 >> 1462714606.54446602 van der Waals (3319.33233s) started
T25 >> 1462714606.67388511 semilocal (705.36447s) started
T25 << 1462714613.59861398 semilocal (712.28920s) stopped
T25 >> 1462714613.66717696 redistribute (506.87890s) started
T25 << 1462714614.63122797 redistribute (507.84295s) stopped
T25 >> 1462714614.63127589 libvdwxc nonlocal (2084.13567s) started
T25 << 1462714633.83289599 libvdwxc nonlocal (2103.33729s) stopped
T25 >> 1462714633.83296299 redistribute (507.84299s) started
T25 << 1462714635.89239192 redistribute (509.90241s) stopped
T25 << 1462714635.89451599 van der Waals (3348.68238s) stopped
T25 << 1462714636.37424111 XC 3D grid (3458.76796s) stopped
T25 >> 1462714636.37430310 Poisson (1074.08631s) started
T25 << 1462714640.79904604 Poisson (1078.51106s) stopped
T25 >> 1462714640.79916000 Hartree integrate/restrict (42.07631s) started
T25 << 1462714640.83398104 Hartree integrate/restrict (42.11113s) stopped
T25 >> 1462714640.83413601 Hartree integrate/restrict (42.11124s) started
T25 << 1462714641.20218897 Hartree integrate/restrict (42.47930s) stopped
T25 >> 1462714641.25893688 Atomic (977.59323s) started
T25 >> 1462714641.27291012 XC Correction (732.57727s) started
T25 << 1462714648.75678205 XC Correction (740.06115s) stopped
T25 << 1462714650.41735506 Atomic (986.75165s) stopped
T25 >> 1462714650.41762090 Communicate (204.84992s) started
T25 << 1462714652.52440000 Communicate (206.95670s) stopped
T25 << 1462714652.52442503 Hamiltonian (5782.58644s) stopped
T25 >> 1462714652.52451897 LCAO eigensolver (8406.84759s) started
T25 >> 1462714652.52453494 Potential matrix (285.93476s) started
T25 << 1462714654.90562892 Potential matrix (288.31585s) stopped
T25 >> 1462714654.90572000 DistributedAtomicCorrection (119.76333s) started
T25 << 1462714655.82794809 DistributedAtomicCorrection (120.68556s) stopped
T25 >> 1462714655.82800102 Distribute overlap matrix (633.94586s) started
T25 >> 1462714655.82804489 blocked summation (619.39321s) started
T25 << 1462714661.12428498 blocked summation (624.68945s) stopped
T25 >> 1462714661.13430095 Scalapack redistribute (13.40947s) started
T25 << 1462714661.25930810 Scalapack redistribute (13.53448s) stopped
T25 << 1462714661.25938106 Distribute overlap matrix (639.37724s) stopped
T25 >> 1462714661.26619792 Blacs Orbital Layouts (6777.44240s) started
T25 >> 1462714661.27504206 General diagonalize (6749.32438s) started
T25 << 1462714715.39293194 General diagonalize (6803.44227s) stopped
T25 >> 1462714715.39298105 Redistribute coefs (2.27602s) started
T25 << 1462714715.40844107 Redistribute coefs (2.29148s) stopped
T25 >> 1462714715.40848207 Send coefs to domains (24.78283s) started
T25 << 1462714715.49943399 Send coefs to domains (24.87378s) stopped
T25 << 1462714715.49987102 Blacs Orbital Layouts (6831.67608s) stopped
T25 >> 1462714715.49990296 Calculate projections (589.06609s) started
T25 << 1462714720.39419293 Calculate projections (593.96038s) stopped
T25 << 1462714720.39452004 LCAO eigensolver (8474.71759s) stopped
T25 >> 1462714721.57560992 Density (1873.78152s) started
T25 >> 1462714721.57562494 Pseudo density (1527.22772s) started
T25 >> 1462714721.57714701 Calculate density matrix (1341.59080s) started
T25 << 1462714734.31042695 Calculate density matrix (1354.32408s) stopped
T25 >> 1462714734.31048012 Construct density (181.44426s) started
T25 << 1462714735.93935800 Construct density (183.07314s) stopped
T25 >> 1462714735.95305204 Symmetrize density (0.00866s) started
T25 << 1462714735.95311403 Symmetrize density (0.00872s) stopped
T25 << 1462714735.95544505 Pseudo density (1541.60754s) stopped
T25 >> 1462714735.95550299 Atomic density matrices (287.77625s) started
T25 << 1462714738.62957597 Atomic density matrices (290.45033s) stopped
T25 >> 1462714738.62962008 Multipole moments (0.96485s) started
T25 << 1462714738.63923812 Multipole moments (0.97446s) stopped
T25 >> 1462714738.63929510 Normalize (0.91971s) started
T25 << 1462714738.64585805 Normalize (0.92627s) stopped
T25 >> 1462714738.64596510 Mix (56.88174s) started
T25 << 1462714739.17553496 Mix (57.41131s) stopped
T25 << 1462714739.17558408 Density (1891.38149s) stopped
T25 >> 1462714739.17573690 Hamiltonian (5782.58645s) started
T25 >> 1462714739.17576003 vbar (3.10663s) started
T25 << 1462714739.21763992 vbar (3.14851s) stopped
T25 >> 1462714739.21781397 XC 3D grid (3458.76801s) started
T25 >> 1462714739.69276500 van der Waals (3348.68249s) started
T25 >> 1462714739.82469010 semilocal (712.28927s) started
T25 << 1462714746.83740401 semilocal (719.30199s) stopped
T25 >> 1462714746.90200710 redistribute (509.90253s) started
T25 << 1462714769.70076394 redistribute (532.70129s) stopped
T25 >> 1462714769.70081306 libvdwxc nonlocal (2103.33734s) started
T25 << 1462714788.43276811 libvdwxc nonlocal (2122.06930s) stopped
T25 >> 1462714788.43284011 redistribute (532.70133s) started
T25 << 1462714790.37408209 redistribute (534.64257s) stopped
T25 << 1462714790.37617993 van der Waals (3399.36590s) stopped
T25 << 1462714790.85211205 XC 3D grid (3510.40231s) stopped
T25 >> 1462714790.85215306 Poisson (1078.51115s) started
T25 << 1462714795.20272994 Poisson (1082.86172s) stopped
T25 >> 1462714795.20282793 Hartree integrate/restrict (42.47936s) started
T25 << 1462714795.24447489 Hartree integrate/restrict (42.52101s) stopped
T25 >> 1462714795.24454594 Hartree integrate/restrict (42.52106s) started
T25 << 1462714795.58215690 Hartree integrate/restrict (42.85867s) stopped
T25 >> 1462714795.63696003 Atomic (986.75169s) started
T25 >> 1462714795.65064406 XC Correction (740.06118s) started
T25 << 1462714803.12107396 XC Correction (747.53161s) stopped
T25 << 1462714804.82888389 Atomic (995.94362s) stopped
T25 >> 1462714804.82912397 Communicate (206.95672s) started
T25 << 1462714806.78362989 Communicate (208.91122s) stopped
T25 << 1462714806.78365493 Hamiltonian (5850.19437s) stopped
T25 >> 1462714806.78374505 LCAO eigensolver (8474.71761s) started
T25 >> 1462714806.78376007 Potential matrix (288.31590s) started
T25 << 1462714809.16653109 Potential matrix (290.69868s) stopped
T25 >> 1462714809.16661906 DistributedAtomicCorrection (120.68560s) started
T25 << 1462714810.11955500 DistributedAtomicCorrection (121.63854s) stopped
T25 >> 1462714810.11959910 Distribute overlap matrix (639.37725s) started
T25 >> 1462714810.11965990 blocked summation (624.68948s) started
T25 << 1462714815.37732291 blocked summation (629.94714s) stopped
T25 >> 1462714815.38692498 Scalapack redistribute (13.53451s) started
T25 << 1462714815.50779796 Scalapack redistribute (13.65538s) stopped
T25 << 1462714815.50788808 Distribute overlap matrix (644.76554s) stopped
T25 >> 1462714815.51465607 Blacs Orbital Layouts (6831.67610s) started
T25 >> 1462714815.52376699 General diagonalize (6803.44230s) started
T25 << 1462714870.17699409 General diagonalize (6858.09553s) stopped
T25 >> 1462714870.17704606 Redistribute coefs (2.29151s) started
T25 << 1462714870.19295502 Redistribute coefs (2.30742s) stopped
T25 >> 1462714870.19299698 Send coefs to domains (24.87381s) started
T25 << 1462714870.40527701 Send coefs to domains (25.08609s) stopped
T25 << 1462714870.40574193 Blacs Orbital Layouts (6886.56718s) stopped
T25 >> 1462714870.40577006 Calculate projections (593.96043s) started
T25 << 1462714875.26046991 Calculate projections (598.81513s) stopped
T25 << 1462714875.26081610 LCAO eigensolver (8543.19468s) stopped
T25 >> 1462714876.66407394 Density (1891.38151s) started
T25 >> 1462714876.66408992 Pseudo density (1541.60759s) started
T25 >> 1462714876.66537309 Calculate density matrix (1354.32411s) started
T25 << 1462714889.22443295 Calculate density matrix (1366.88317s) stopped
T25 >> 1462714889.22449088 Construct density (183.07320s) started
T25 << 1462714890.85816002 Construct density (184.70687s) stopped
T25 >> 1462714890.87116694 Symmetrize density (0.00874s) started
T25 << 1462714890.87122297 Symmetrize density (0.00880s) stopped
T25 << 1462714890.87326694 Pseudo density (1555.81677s) stopped
T25 >> 1462714890.87332296 Atomic density matrices (290.45035s) started
T25 << 1462714893.57415795 Atomic density matrices (293.15119s) stopped
T25 >> 1462714893.57420206 Multipole moments (0.97448s) started
T25 << 1462714893.58364391 Multipole moments (0.98392s) stopped
T25 >> 1462714893.58369899 Normalize (0.92635s) started
T25 << 1462714893.59009290 Normalize (0.93275s) stopped
T25 >> 1462714893.59018707 Mix (57.41136s) started
T25 << 1462714894.11314988 Mix (57.93433s) stopped
T25 << 1462714894.11322808 Density (1908.83066s) stopped
T25 >> 1462714894.11333990 Hamiltonian (5850.19438s) started
T25 >> 1462714894.11335802 vbar (3.14861s) started
T25 << 1462714894.14283800 vbar (3.17809s) stopped
T25 >> 1462714894.14299011 XC 3D grid (3510.40234s) started
T25 >> 1462714894.62924600 van der Waals (3399.36602s) started
T25 >> 1462714894.76165700 semilocal (719.30207s) started
T25 << 1462714901.38177800 semilocal (725.92219s) stopped
T25 >> 1462714901.46489000 redistribute (534.64267s) started
T25 << 1462714902.99042511 redistribute (536.16821s) stopped
T25 >> 1462714902.99047303 libvdwxc nonlocal (2122.06935s) started
T25 << 1462714922.05878806 libvdwxc nonlocal (2141.13767s) stopped
T25 >> 1462714922.05885506 redistribute (536.16825s) started
T25 << 1462714923.83605003 redistribute (537.94544s) stopped
T25 << 1462714923.83759594 van der Waals (3428.57437s) stopped
T25 << 1462714924.31403303 XC 3D grid (3540.57338s) stopped
T25 >> 1462714924.31408095 Poisson (1082.86180s) started
T25 << 1462714934.28908110 Poisson (1092.83680s) stopped
T25 >> 1462714934.28917694 Hartree integrate/restrict (42.85870s) started
T25 << 1462714934.33789110 Hartree integrate/restrict (42.90742s) stopped
T25 >> 1462714934.33793807 Hartree integrate/restrict (42.90745s) started
T25 << 1462714934.66560602 Hartree integrate/restrict (43.23512s) stopped
T25 >> 1462714934.72414398 Atomic (995.94364s) started
T25 >> 1462714934.73792791 XC Correction (747.53163s) started
T25 << 1462714942.22199702 XC Correction (755.01570s) stopped
T25 << 1462714943.95312309 Atomic (1005.17262s) stopped
T25 >> 1462714943.95337510 Communicate (208.91124s) started
T25 << 1462714945.86903691 Communicate (210.82690s) stopped
T25 << 1462714945.86906290 Hamiltonian (5901.95011s) stopped
T25 >> 1462714945.86915898 LCAO eigensolver (8543.19470s) started
T25 >> 1462714945.86917305 Potential matrix (290.69873s) started
T25 << 1462714948.24527907 Potential matrix (293.07483s) stopped
T25 >> 1462714948.24536991 DistributedAtomicCorrection (121.63858s) started
T25 << 1462714949.20428991 DistributedAtomicCorrection (122.59750s) stopped
T25 >> 1462714949.20433497 Distribute overlap matrix (644.76556s) started
T25 >> 1462714949.20439696 blocked summation (629.94718s) started
T25 << 1462714954.49882603 blocked summation (635.24161s) stopped
T25 >> 1462714954.50824308 Scalapack redistribute (13.65544s) started
T25 << 1462714954.61262608 Scalapack redistribute (13.75982s) stopped
T25 << 1462714954.61272812 Distribute overlap matrix (650.17395s) stopped
T25 >> 1462714954.61757112 Blacs Orbital Layouts (6886.56720s) started
T25 >> 1462714954.62565494 General diagonalize (6858.09557s) started
T25 << 1462715008.82480407 General diagonalize (6912.29472s) stopped
T25 >> 1462715008.82485104 Redistribute coefs (2.30745s) started
T25 << 1462715008.83990598 Redistribute coefs (2.32250s) stopped
T25 >> 1462715008.83994889 Send coefs to domains (25.08613s) started
T25 << 1462715008.95954490 Send coefs to domains (25.20573s) stopped
T25 << 1462715008.96002603 Blacs Orbital Layouts (6940.90966s) stopped
T25 >> 1462715008.96005106 Calculate projections (598.81518s) started
T25 << 1462715013.81198907 Calculate projections (603.66712s) stopped
T25 << 1462715013.81233597 LCAO eigensolver (8611.13788s) stopped
T25 >> 1462715015.03902006 Density (1908.83068s) started
T25 >> 1462715015.03903508 Pseudo density (1555.81681s) started
T25 >> 1462715015.04031897 Calculate density matrix (1366.88321s) started
T25 << 1462715027.68912005 Calculate density matrix (1379.53201s) stopped
T25 >> 1462715027.68917608 Construct density (184.70692s) started
T25 << 1462715029.32037592 Construct density (186.33812s) stopped
T25 >> 1462715029.33356190 Symmetrize density (0.00881s) started
T25 << 1462715029.33361793 Symmetrize density (0.00887s) stopped
T25 << 1462715029.33566689 Pseudo density (1570.11344s) stopped
T25 >> 1462715029.33572292 Atomic density matrices (293.15121s) started
T25 << 1462715032.03057408 Atomic density matrices (295.84606s) stopped
T25 >> 1462715032.03061700 Multipole moments (0.98394s) started
T25 << 1462715032.03910089 Multipole moments (0.99242s) stopped
T25 >> 1462715032.03915596 Normalize (0.93282s) started
T25 << 1462715032.04555011 Normalize (0.93921s) stopped
T25 >> 1462715032.04563904 Mix (57.93440s) started
T25 << 1462715032.61418295 Mix (58.50294s) stopped
T25 << 1462715032.61428189 Density (1926.40594s) stopped
T25 >> 1462715032.61442304 Hamiltonian (5901.95012s) started
T25 >> 1462715032.61444092 vbar (3.17817s) started
T25 << 1462715032.64025593 vbar (3.20399s) stopped
T25 >> 1462715032.64034700 XC 3D grid (3540.57342s) started
T25 >> 1462715033.13225698 van der Waals (3428.57447s) started
T25 >> 1462715033.26484799 semilocal (725.92232s) started
T25 << 1462715039.72321796 semilocal (732.38069s) stopped
T25 >> 1462715039.82456708 redistribute (537.94550s) started
T25 << 1462715041.26924396 redistribute (539.39018s) stopped
T25 >> 1462715041.26928997 libvdwxc nonlocal (2141.13772s) started
T25 << 1462715060.03131199 libvdwxc nonlocal (2159.89974s) stopped
T25 >> 1462715060.03138304 redistribute (539.39021s) started
T25 << 1462715061.69745898 redistribute (541.05629s) stopped
T25 << 1462715061.69899607 van der Waals (3457.14121s) stopped
T25 << 1462715062.18231797 XC 3D grid (3570.11539s) stopped
T25 >> 1462715062.18236303 Poisson (1092.83687s) started
T25 << 1462715072.16445994 Poisson (1102.81897s) stopped
T25 >> 1462715072.16456389 Hartree integrate/restrict (43.23516s) started
T25 << 1462715072.21299791 Hartree integrate/restrict (43.28359s) stopped
T25 >> 1462715072.21308708 Hartree integrate/restrict (43.28365s) started
T25 << 1462715072.53236890 Hartree integrate/restrict (43.60293s) stopped
T25 >> 1462715072.59122801 Atomic (1005.17264s) started
T25 >> 1462715072.60492206 XC Correction (755.01573s) started
T25 << 1462715079.99178195 XC Correction (762.40259s) stopped
T25 << 1462715081.78939795 Atomic (1014.37081s) stopped
T25 >> 1462715081.78963590 Communicate (210.82692s) started
T25 << 1462715083.91059494 Communicate (212.94788s) stopped
T25 << 1462715083.91061902 Hamiltonian (5953.24632s) stopped
T25 >> 1462715083.91071105 LCAO eigensolver (8611.13790s) started
T25 >> 1462715083.91072607 Potential matrix (293.07488s) started
T25 << 1462715086.28859305 Potential matrix (295.45275s) stopped
T25 >> 1462715086.28868198 DistributedAtomicCorrection (122.59753s) started
T25 << 1462715087.23914099 DistributedAtomicCorrection (123.54799s) stopped
T25 >> 1462715087.23918509 Distribute overlap matrix (650.17396s) started
T25 >> 1462715087.23924494 blocked summation (635.24164s) started
T25 << 1462715092.52342200 blocked summation (640.52582s) stopped
T25 >> 1462715092.53233695 Scalapack redistribute (13.75988s) started
T25 << 1462715092.64091802 Scalapack redistribute (13.86846s) stopped
T25 << 1462715092.64100504 Distribute overlap matrix (655.57578s) stopped
T25 >> 1462715092.64693189 Blacs Orbital Layouts (6940.90968s) started
T25 >> 1462715092.65543389 General diagonalize (6912.29476s) started
T25 << 1462715149.62798905 General diagonalize (6969.26732s) stopped
T25 >> 1462715149.62804008 Redistribute coefs (2.32254s) started
T25 << 1462715149.64343500 Redistribute coefs (2.33793s) stopped
T25 >> 1462715149.64347696 Send coefs to domains (25.20577s) started
T25 << 1462715149.99294591 Send coefs to domains (25.55524s) stopped
T25 << 1462715149.99350500 Blacs Orbital Layouts (6998.25625s) stopped
T25 >> 1462715149.99353409 Calculate projections (603.66718s) started
T25 << 1462715154.87842607 Calculate projections (608.55207s) stopped
T25 << 1462715154.87881589 LCAO eigensolver (8682.10600s) stopped
T25 >> 1462715156.01234889 Density (1926.40596s) started
T25 >> 1462715156.01236296 Pseudo density (1570.11349s) started
T25 >> 1462715156.01423001 Calculate density matrix (1379.53205s) started
T25 << 1462715168.78535795 Calculate density matrix (1392.30318s) stopped
T25 >> 1462715168.78541088 Construct density (186.33816s) started
T25 << 1462715170.41391897 Construct density (187.96667s) stopped
T25 >> 1462715170.42754292 Symmetrize density (0.00889s) started
T25 << 1462715170.42760611 Symmetrize density (0.00895s) stopped
T25 << 1462715170.42992806 Pseudo density (1584.53105s) stopped
T25 >> 1462715170.42998910 Atomic density matrices (295.84609s) started
T25 << 1462715173.12227511 Atomic density matrices (298.53837s) stopped
T25 >> 1462715173.12231898 Multipole moments (0.99244s) started
T25 << 1462715173.13149405 Multipole moments (1.00162s) stopped
T25 >> 1462715173.13155007 Normalize (0.93928s) started
T25 << 1462715173.13964009 Normalize (0.94737s) stopped
T25 >> 1462715173.13971806 Mix (58.50304s) started
T25 << 1462715173.69046998 Mix (59.05379s) stopped
T25 << 1462715173.69056892 Density (1944.08418s) stopped
T25 >> 1462715173.69070697 Hamiltonian (5953.24633s) started
T25 >> 1462715173.69072509 vbar (3.20404s) started
T25 << 1462715173.72095108 vbar (3.23426s) stopped
T25 >> 1462715173.72105098 XC 3D grid (3570.11542s) started
T25 >> 1462715174.21823692 van der Waals (3457.14130s) started
T25 >> 1462715174.34792089 semilocal (732.38081s) started
T25 << 1462715181.32986212 semilocal (739.36275s) stopped
T25 >> 1462715181.39185810 redistribute (541.05634s) started
T25 << 1462715216.23311090 redistribute (575.89759s) stopped
T25 >> 1462715216.23316002 libvdwxc nonlocal (2159.89979s) started
T25 << 1462715234.97530890 libvdwxc nonlocal (2178.64194s) stopped
T25 >> 1462715234.97537708 redistribute (575.89763s) started
T25 << 1462715236.90106511 redistribute (577.82332s) stopped
T25 << 1462715236.90316010 van der Waals (3519.82622s) stopped
T25 << 1462715237.38184094 XC 3D grid (3633.77621s) stopped
T25 >> 1462715237.38188291 Poisson (1102.81905s) started
T25 << 1462715244.64140606 Poisson (1110.07857s) stopped
T25 >> 1462715244.64150596 Hartree integrate/restrict (43.60302s) started
T25 << 1462715244.68745589 Hartree integrate/restrict (43.64897s) stopped
T25 >> 1462715244.68750811 Hartree integrate/restrict (43.64900s) started
T25 << 1462715245.02386689 Hartree integrate/restrict (43.98536s) stopped
T25 >> 1462715245.08076406 Atomic (1014.37083s) started
T25 >> 1462715245.09483910 XC Correction (762.40262s) started
T25 << 1462715252.48183799 XC Correction (769.78961s) stopped
T25 << 1462715254.38363695 Atomic (1023.67371s) stopped
T25 >> 1462715254.38384509 Communicate (212.94789s) started
T25 << 1462715256.40004802 Communicate (214.96409s) stopped
T25 << 1462715256.40007305 Hamiltonian (6035.95570s) stopped
T25 >> 1462715256.40016103 LCAO eigensolver (8682.10602s) started
T25 >> 1462715256.40017605 Potential matrix (295.45280s) started
T25 << 1462715258.76544404 Potential matrix (297.81807s) stopped
T25 >> 1462715258.76554203 DistributedAtomicCorrection (123.54803s) started
T25 << 1462715259.69608593 DistributedAtomicCorrection (124.47857s) stopped
T25 >> 1462715259.69613504 Distribute overlap matrix (655.57580s) started
T25 >> 1462715259.69618011 blocked summation (640.52585s) started
T25 << 1462715265.01806998 blocked summation (645.84774s) stopped
T25 >> 1462715265.02730393 Scalapack redistribute (13.86851s) started
T25 << 1462715265.13600302 Scalapack redistribute (13.97721s) stopped
T25 << 1462715265.13611698 Distribute overlap matrix (661.01578s) stopped
T25 >> 1462715265.14170790 Blacs Orbital Layouts (6998.25627s) started
T25 >> 1462715265.15002704 General diagonalize (6969.26736s) started
T25 << 1462715322.22907996 General diagonalize (7026.34641s) stopped
T25 >> 1462715322.22912693 Redistribute coefs (2.33797s) started
T25 << 1462715322.24331594 Redistribute coefs (2.35215s) stopped
T25 >> 1462715322.24335694 Send coefs to domains (25.55527s) started
T25 << 1462715322.34317088 Send coefs to domains (25.65509s) stopped
T25 << 1462715322.34365797 Blacs Orbital Layouts (7055.45822s) stopped
T25 >> 1462715322.34368706 Calculate projections (608.55212s) started
T25 << 1462715327.23600101 Calculate projections (613.44444s) stopped
T25 << 1462715327.23632789 LCAO eigensolver (8752.94219s) stopped
T25 >> 1462715328.35934901 Density (1944.08420s) started
T25 >> 1462715328.35936499 Pseudo density (1584.53110s) started
T25 >> 1462715328.36105108 Calculate density matrix (1392.30321s) started
T25 << 1462715341.04701591 Calculate density matrix (1404.98918s) stopped
T25 >> 1462715341.04706812 Construct density (187.96673s) started
T25 << 1462715342.66972089 Construct density (189.58938s) stopped
T25 >> 1462715342.68335605 Symmetrize density (0.00897s) started
T25 << 1462715342.68341994 Symmetrize density (0.00903s) stopped
T25 << 1462715342.68574691 Pseudo density (1598.85749s) stopped
T25 >> 1462715342.68580890 Atomic density matrices (298.53840s) started
T25 << 1462715345.36979198 Atomic density matrices (301.22238s) stopped
T25 >> 1462715345.36983609 Multipole moments (1.00164s) started
T25 << 1462715345.37772703 Multipole moments (1.00953s) stopped
T25 >> 1462715345.37778306 Normalize (0.94743s) started
T25 << 1462715345.38594389 Normalize (0.95559s) stopped
T25 >> 1462715345.38602209 Mix (59.05389s) started
T25 << 1462715345.94389296 Mix (59.61176s) stopped
T25 << 1462715345.94398999 Density (1961.66884s) stopped
T25 >> 1462715345.94413400 Hamiltonian (6035.95571s) started
T25 >> 1462715345.94415212 vbar (3.23432s) started
T25 << 1462715345.97515392 vbar (3.26532s) stopped
T25 >> 1462715345.97528195 XC 3D grid (3633.77625s) started
T25 >> 1462715346.48498297 van der Waals (3519.82632s) started
T25 >> 1462715346.61620688 semilocal (739.36282s) started
T25 << 1462715353.48896003 semilocal (746.23558s) stopped
T25 >> 1462715353.55332088 redistribute (577.82344s) started
T25 << 1462715354.71654510 redistribute (578.98667s) stopped
T25 >> 1462715354.71659207 libvdwxc nonlocal (2178.64199s) started
T25 << 1462715373.53937602 libvdwxc nonlocal (2197.46478s) stopped
T25 >> 1462715373.53944802 redistribute (578.98670s) started
T25 << 1462715375.46978307 redistribute (580.91704s) stopped
T25 << 1462715375.47174597 van der Waals (3548.81309s) stopped
T25 << 1462715375.95167208 XC 3D grid (3663.75264s) stopped
T25 >> 1462715375.95173693 Poisson (1110.07865s) started
T25 << 1462715380.42354703 Poisson (1114.55046s) stopped
T25 >> 1462715380.42363501 Hartree integrate/restrict (43.98542s) started
T25 << 1462715380.46585608 Hartree integrate/restrict (44.02764s) stopped
T25 >> 1462715380.46600699 Hartree integrate/restrict (44.02776s) started
T25 << 1462715380.80655408 Hartree integrate/restrict (44.36830s) stopped
T25 >> 1462715380.86435604 Atomic (1023.67372s) started
T25 >> 1462715380.87821698 XC Correction (769.78964s) started
T25 << 1462715388.27147794 XC Correction (777.18290s) stopped
T25 << 1462715390.17154288 Atomic (1032.98091s) stopped
T25 >> 1462715390.17176294 Communicate (214.96411s) started
T25 << 1462715392.19301391 Communicate (216.98536s) stopped
T25 << 1462715392.19303894 Hamiltonian (6082.20462s) stopped
T25 >> 1462715392.19312596 LCAO eigensolver (8752.94220s) started
T25 >> 1462715392.19314098 Potential matrix (297.81813s) started
T25 << 1462715394.56370592 Potential matrix (300.18869s) stopped
T25 >> 1462715394.56380200 DistributedAtomicCorrection (124.47861s) started
T25 << 1462715395.49840212 DistributedAtomicCorrection (125.41321s) stopped
T25 >> 1462715395.49845099 Distribute overlap matrix (661.01579s) started
T25 >> 1462715395.49849606 blocked summation (645.84778s) started
T25 << 1462715400.77199292 blocked summation (651.12127s) stopped
T25 >> 1462715400.78125191 Scalapack redistribute (13.97728s) started
T25 << 1462715400.89373803 Scalapack redistribute (14.08976s) stopped
T25 << 1462715400.89383101 Distribute overlap matrix (666.41117s) stopped
T25 >> 1462715400.89916110 Blacs Orbital Layouts (7055.45824s) started
T25 >> 1462715400.90852308 General diagonalize (7026.34645s) started
T25 << 1462715456.90375090 General diagonalize (7082.34168s) stopped
T25 >> 1462715456.90380502 Redistribute coefs (2.35219s) started
T25 << 1462715456.92936993 Redistribute coefs (2.37775s) stopped
T25 >> 1462715456.92941189 Send coefs to domains (25.65512s) started
T25 << 1462715457.07285690 Send coefs to domains (25.79856s) stopped
T25 << 1462715457.07330394 Blacs Orbital Layouts (7111.63238s) stopped
T25 >> 1462715457.07333493 Calculate projections (613.44449s) started
T25 << 1462715461.96671700 Calculate projections (618.33787s) stopped
T25 << 1462715461.96703792 LCAO eigensolver (8822.71612s) stopped
T25 >> 1462715463.14545798 Density (1961.66886s) started
T25 >> 1462715463.14547300 Pseudo density (1598.85754s) started
T25 >> 1462715463.14712596 Calculate density matrix (1404.98921s) started
T25 << 1462715475.94095707 Calculate density matrix (1417.78304s) stopped
T25 >> 1462715475.94101596 Construct density (189.58944s) started
T25 << 1462715477.57123590 Construct density (191.21966s) stopped
T25 >> 1462715477.58532500 Symmetrize density (0.00905s) started
T25 << 1462715477.58538890 Symmetrize density (0.00911s) stopped
T25 << 1462715477.58771491 Pseudo density (1613.29978s) stopped
T25 >> 1462715477.58777499 Atomic density matrices (301.22240s) started
T25 << 1462715480.27926803 Atomic density matrices (303.91390s) stopped
T25 >> 1462715480.27931309 Multipole moments (1.00954s) started
T25 << 1462715480.28772593 Multipole moments (1.01796s) stopped
T25 >> 1462715480.28778195 Normalize (0.95565s) started
T25 << 1462715480.29489899 Normalize (0.96277s) stopped
T25 >> 1462715480.29498196 Mix (59.61185s) started
T25 << 1462715480.89694405 Mix (60.21381s) stopped
T25 << 1462715480.89703989 Density (1979.42044s) stopped
T25 >> 1462715480.89716601 Hamiltonian (6082.20463s) started
T25 >> 1462715480.89718604 vbar (3.26539s) started
T25 << 1462715480.92600203 vbar (3.29420s) stopped
T25 >> 1462715480.92611289 XC 3D grid (3663.75269s) started
T25 >> 1462715481.41140509 van der Waals (3548.81320s) started
T25 >> 1462715481.54519510 semilocal (746.23566s) started
T25 << 1462715488.66750598 semilocal (753.35797s) stopped
T25 >> 1462715488.73522305 redistribute (580.91715s) started
T25 << 1462715489.67284608 redistribute (581.85477s) stopped
T25 >> 1462715489.67289305 libvdwxc nonlocal (2197.46483s) started
T25 << 1462715508.58021808 libvdwxc nonlocal (2216.37216s) stopped
T25 >> 1462715508.58028889 redistribute (581.85481s) started
T25 << 1462715510.51418209 redistribute (583.78870s) stopped
T25 << 1462715510.51604795 van der Waals (3577.91784s) stopped
T25 << 1462715511.00347805 XC 3D grid (3693.83006s) stopped
T25 >> 1462715511.00353098 Poisson (1114.55053s) started
T25 << 1462715515.34429312 Poisson (1118.89129s) stopped
T25 >> 1462715515.34443688 Hartree integrate/restrict (44.36836s) started
T25 << 1462715515.38340092 Hartree integrate/restrict (44.40733s) stopped
T25 >> 1462715515.38356805 Hartree integrate/restrict (44.40745s) started
T25 << 1462715515.72666907 Hartree integrate/restrict (44.75055s) stopped
T25 >> 1462715515.79950094 Atomic (1032.98093s) started
T25 >> 1462715515.81336188 XC Correction (777.18292s) started
T25 << 1462715523.25977206 XC Correction (784.62933s) stopped
T25 << 1462715524.99687505 Atomic (1042.17830s) stopped
T25 >> 1462715524.99711108 Communicate (216.98538s) started
T25 << 1462715527.14559698 Communicate (219.13386s) stopped
T25 << 1462715527.14562297 Hamiltonian (6128.45308s) stopped
T25 >> 1462715527.14571810 LCAO eigensolver (8822.71614s) started
T25 >> 1462715527.14573312 Potential matrix (300.18875s) started
T25 << 1462715529.52300406 Potential matrix (302.56602s) stopped
T25 >> 1462715529.52310491 DistributedAtomicCorrection (125.41325s) started
T25 << 1462715530.45840311 DistributedAtomicCorrection (126.34855s) stopped
T25 >> 1462715530.45850801 Distribute overlap matrix (666.41118s) started
T25 >> 1462715530.45853400 blocked summation (651.12131s) started
T25 << 1462715535.75000906 blocked summation (656.41278s) stopped
T25 >> 1462715535.76016808 Scalapack redistribute (14.08982s) started
T25 << 1462715535.85538411 Scalapack redistribute (14.18503s) stopped
T25 << 1462715535.85548997 Distribute overlap matrix (671.80817s) stopped
T25 >> 1462715535.86203003 Blacs Orbital Layouts (7111.63240s) started
T25 >> 1462715535.87023807 General diagonalize (7082.34172s) started
T25 << 1462715592.08379197 General diagonalize (7138.55528s) stopped
T25 >> 1462715592.08383608 Redistribute coefs (2.37778s) started
T25 << 1462715592.11008692 Redistribute coefs (2.40403s) stopped
T25 >> 1462715592.11014295 Send coefs to domains (25.79860s) started
T25 << 1462715592.65733600 Send coefs to domains (26.34579s) stopped
T25 << 1462715592.65778399 Blacs Orbital Layouts (7168.42816s) stopped
T25 >> 1462715592.65781689 Calculate projections (618.33792s) started
T25 << 1462715597.56067801 Calculate projections (623.24078s) stopped
T25 << 1462715597.56101108 LCAO eigensolver (8893.13143s) stopped
T25 >> 1462715598.67015910 Density (1979.42046s) started
T25 >> 1462715598.67017508 Pseudo density (1613.29983s) started
T25 >> 1462715598.67203093 Calculate density matrix (1417.78308s) started
T25 << 1462715611.33936095 Calculate density matrix (1430.45041s) stopped
T25 >> 1462715611.33941698 Construct density (191.21971s) started
T25 << 1462715612.96316600 Construct density (192.84346s) stopped
T25 >> 1462715612.97640896 Symmetrize density (0.00913s) started
T25 << 1462715612.97647095 Symmetrize density (0.00919s) stopped
T25 << 1462715612.97879004 Pseudo density (1627.60844s) stopped
T25 >> 1462715612.97885394 Atomic density matrices (303.91392s) started
T25 << 1462715615.66718888 Atomic density matrices (306.60226s) stopped
T25 >> 1462715615.66723299 Multipole moments (1.01797s) started
T25 << 1462715615.67592311 Multipole moments (1.02666s) stopped
T25 >> 1462715615.67597890 Normalize (0.96283s) started
T25 << 1462715615.68309808 Normalize (0.96995s) stopped
T25 >> 1462715615.68317890 Mix (60.21391s) started
T25 << 1462715616.25405097 Mix (60.78478s) stopped
T25 << 1462715616.25413203 Density (1997.00443s) stopped
T25 >> 1462715616.25423694 Hamiltonian (6128.45310s) started
T25 >> 1462715616.25425291 vbar (3.29427s) started
T25 << 1462715616.28370595 vbar (3.32372s) stopped
T25 >> 1462715616.28384089 XC 3D grid (3693.83010s) started
T25 >> 1462715616.77569294 van der Waals (3577.91794s) started
T25 >> 1462715616.90991306 semilocal (753.35807s) started
T25 << 1462715623.52363610 semilocal (759.97179s) stopped
T25 >> 1462715623.60253096 redistribute (583.78881s) started
T25 << 1462715659.45546198 redistribute (619.64175s) stopped
T25 >> 1462715659.45550704 libvdwxc nonlocal (2216.37221s) started
T25 << 1462715678.05381298 libvdwxc nonlocal (2234.97052s) stopped
T25 >> 1462715678.05390191 redistribute (619.64178s) started
T25 << 1462715679.88943601 redistribute (621.47732s) stopped
T25 << 1462715679.89191294 van der Waals (3641.03416s) stopped
T25 << 1462715680.36770892 XC 3D grid (3757.91397s) stopped
T25 >> 1462715680.36776400 Poisson (1118.89141s) started
T25 << 1462715684.65105796 Poisson (1123.17470s) stopped
T25 >> 1462715684.65113592 Hartree integrate/restrict (44.75061s) started
T25 << 1462715684.69646192 Hartree integrate/restrict (44.79593s) stopped
T25 >> 1462715684.69655299 Hartree integrate/restrict (44.79599s) started
T25 << 1462715685.02667189 Hartree integrate/restrict (45.12611s) stopped
T25 >> 1462715685.08362603 Atomic (1042.17833s) started
T25 >> 1462715685.09755301 XC Correction (784.62935s) started
T25 << 1462715692.55251694 XC Correction (792.08432s) stopped
T25 << 1462715694.33313107 Atomic (1051.42783s) stopped
T25 >> 1462715694.33336306 Communicate (219.13388s) started
T25 << 1462715696.48223400 Communicate (221.28275s) stopped
T25 << 1462715696.48225904 Hamiltonian (6208.68112s) stopped
T25 >> 1462715696.48235512 LCAO eigensolver (8893.13145s) started
T25 >> 1462715696.48236990 Potential matrix (302.56607s) started
T25 << 1462715698.85553598 Potential matrix (304.93924s) stopped
T25 >> 1462715698.85563111 DistributedAtomicCorrection (126.34859s) started
T25 << 1462715699.77435994 DistributedAtomicCorrection (127.26732s) stopped
T25 >> 1462715699.77441001 Distribute overlap matrix (671.80818s) started
T25 >> 1462715699.77445412 blocked summation (656.41282s) started
T25 << 1462715705.14405894 blocked summation (661.78242s) stopped
T25 >> 1462715705.15362906 Scalapack redistribute (14.18509s) started
T25 << 1462715705.28354597 Scalapack redistribute (14.31501s) stopped
T25 << 1462715705.28361392 Distribute overlap matrix (677.31738s) stopped
T25 >> 1462715705.28891706 Blacs Orbital Layouts (7168.42818s) started
T25 >> 1462715705.29754400 General diagonalize (7138.55531s) started
T25 << 1462715763.18549395 General diagonalize (7196.44326s) stopped
T25 >> 1462715763.18554211 Redistribute coefs (2.40408s) started
T25 << 1462715763.20223999 Redistribute coefs (2.42077s) stopped
T25 >> 1462715763.20228791 Send coefs to domains (26.34583s) started
T25 << 1462715763.35144210 Send coefs to domains (26.49498s) stopped
T25 << 1462715763.35204005 Blacs Orbital Layouts (7226.49130s) stopped
T25 >> 1462715763.35207105 Calculate projections (623.24084s) started
T25 << 1462715768.20144296 Calculate projections (628.09021s) stopped
T25 << 1462715768.20182705 LCAO eigensolver (8964.85092s) stopped
T25 >> 1462715769.46114397 Density (1997.00445s) started
T25 >> 1462715769.46115899 Pseudo density (1627.60849s) started
T25 >> 1462715769.46233797 Calculate density matrix (1430.45045s) started
T25 << 1462715782.13170004 Calculate density matrix (1443.11981s) stopped
T25 >> 1462715782.13175607 Construct density (192.84352s) started
T25 << 1462715783.75914502 Construct density (194.47091s) stopped
T25 >> 1462715783.77204704 Symmetrize density (0.00921s) started
T25 << 1462715783.77210903 Symmetrize density (0.00927s) stopped
T25 << 1462715783.77414203 Pseudo density (1641.92148s) stopped
T25 >> 1462715783.77419710 Atomic density matrices (306.60228s) started
T25 << 1462715786.44192100 Atomic density matrices (309.27001s) stopped
T25 >> 1462715786.44196391 Multipole moments (1.02668s) started
T25 << 1462715786.45072603 Multipole moments (1.03544s) stopped
T25 >> 1462715786.45078111 Normalize (0.97001s) started
T25 << 1462715786.45718098 Normalize (0.97641s) stopped
T25 >> 1462715786.45727801 Mix (60.78486s) started
T25 << 1462715787.04010391 Mix (61.36768s) stopped
T25 << 1462715787.04020000 Density (2014.58350s) stopped
T25 >> 1462715787.04034209 Hamiltonian (6208.68113s) started
T25 >> 1462715787.04035997 vbar (3.32379s) started
T25 << 1462715787.06564307 vbar (3.34908s) stopped
T25 >> 1462715787.06577206 XC 3D grid (3757.91401s) started
T25 >> 1462715787.55698609 van der Waals (3641.03426s) started
T25 >> 1462715787.68908405 semilocal (759.97189s) started
T25 << 1462715794.21691489 semilocal (766.49972s) stopped
T25 >> 1462715794.29870200 redistribute (621.47745s) started
T25 << 1462715795.83051801 redistribute (623.00927s) stopped
T25 >> 1462715795.83056593 libvdwxc nonlocal (2234.97058s) started
T25 << 1462715815.73906708 libvdwxc nonlocal (2254.87908s) stopped
T25 >> 1462715815.73913097 redistribute (623.00930s) started
T25 << 1462715817.41068411 redistribute (624.68086s) stopped
T25 << 1462715817.41301703 van der Waals (3670.89029s) stopped
T25 << 1462715817.88819289 XC 3D grid (3788.73643s) stopped
T25 >> 1462715817.88823605 Poisson (1123.17476s) started
T25 << 1462715822.39566708 Poisson (1127.68219s) stopped
T25 >> 1462715822.39578104 Hartree integrate/restrict (45.12617s) started
T25 << 1462715822.46277308 Hartree integrate/restrict (45.19316s) stopped
T25 >> 1462715822.46283197 Hartree integrate/restrict (45.19320s) started
T25 << 1462715822.78469110 Hartree integrate/restrict (45.51506s) stopped
T25 >> 1462715822.84003592 Atomic (1051.42785s) started
T25 >> 1462715822.85389304 XC Correction (792.08434s) started
T25 << 1462715830.35538292 XC Correction (799.58583s) stopped
T25 << 1462715832.15525889 Atomic (1060.74307s) stopped
T25 >> 1462715832.15546393 Communicate (221.28276s) started
T25 << 1462715834.06774402 Communicate (223.19504s) stopped
T25 << 1462715834.06776905 Hamiltonian (6255.70856s) stopped
T25 >> 1462715834.06785893 LCAO eigensolver (8964.85094s) started
T25 >> 1462715834.06787395 Potential matrix (304.93929s) started
T25 << 1462715836.43036699 Potential matrix (307.30179s) stopped
T25 >> 1462715836.43045211 DistributedAtomicCorrection (127.26736s) started
T25 << 1462715837.37190795 DistributedAtomicCorrection (128.20882s) stopped
T25 >> 1462715837.37195301 Distribute overlap matrix (677.31740s) started
T25 >> 1462715837.37199807 blocked summation (661.78245s) started
T25 << 1462715842.66970801 blocked summation (667.08016s) stopped
T25 >> 1462715842.67927003 Scalapack redistribute (14.31504s) started
T25 << 1462715842.77176595 Scalapack redistribute (14.40754s) stopped
T25 << 1462715842.77183104 Distribute overlap matrix (682.71728s) stopped
T25 >> 1462715842.77714705 Blacs Orbital Layouts (7226.49132s) started
T25 >> 1462715842.78526998 General diagonalize (7196.44330s) started
T25 << 1462715899.44033909 General diagonalize (7253.09837s) stopped
T25 >> 1462715899.44038796 Redistribute coefs (2.42081s) started
T25 << 1462715899.47566891 Redistribute coefs (2.45609s) stopped
T25 >> 1462715899.47571111 Send coefs to domains (26.49502s) started
T25 << 1462715900.55376196 Send coefs to domains (27.57307s) stopped
T25 << 1462715900.55430698 Blacs Orbital Layouts (7284.26848s) stopped
T25 >> 1462715900.55433702 Calculate projections (628.09026s) started
T25 << 1462715905.39079094 Calculate projections (632.92671s) stopped
T25 << 1462715905.39113688 LCAO eigensolver (9036.17422s) stopped
T25 << 1462715906.63246107 SCF-cycle (17476.04150s) stopped
T25 >> 1462715909.33132792 Force calculation (863.54655s) started
T25 >> 1462715909.33140993 LCAO forces (774.66867s) started
T25 >> 1462715909.33177805 Initial (0.00022s) started
T25 << 1462715909.33178902 Initial (0.00023s) stopped
T25 >> 1462715909.35699010 Get density matrix (360.77882s) started
T25 << 1462715918.68700790 Get density matrix (370.10884s) stopped
T25 >> 1462715918.68705392 Potential (124.89650s) started
T25 << 1462715931.04421306 Potential (137.25366s) stopped
T25 >> 1462715931.04426193 Get density matrix (370.10887s) started
T25 << 1462715958.06855798 Get density matrix (397.13317s) stopped
T25 >> 1462715958.06862402 Prepare TCI loop (24.25479s) started
T25 >> 1462715958.06918311 Get neighbors (21.85525s) started
T25 << 1462715960.25333595 Get neighbors (24.03941s) stopped
T25 >> 1462715960.25361896 broadcast dH (2.38830s) started
T25 << 1462715960.48683405 broadcast dH (2.62152s) stopped
T25 << 1462715960.48687911 Prepare TCI loop (26.67305s) stopped
T25 >> 1462715960.48689699 Not so complicated loop (103.33508s) started
T25 << 1462715970.85116410 Not so complicated loop (113.69935s) stopped
T25 >> 1462715970.96635199 Complicated loop (160.17346s) started
T25 << 1462715987.04769802 Complicated loop (176.25480s) stopped
T25 >> 1462715987.05025601 Wait for sum (0.00103s) started
T25 << 1462715987.05033708 Wait for sum (0.00112s) stopped
T25 << 1462715987.05035090 LCAO forces (852.38761s) stopped
T25 << 1462715995.29699612 Force calculation (949.51221s) stopped
T25 >> 1462715995.31512594 Initialization (1285.68686s) started
T25 << 1462715995.31533408 Initialization (1285.68707s) stopped
T25 >> 1462715995.31559992 Initialization (1285.68709s) started
T25 << 1462715995.31575108 Initialization (1285.68724s) stopped
T25 >> 1462715995.31590390 Initialization (1285.68725s) started
T25 << 1462715995.31605101 Initialization (1285.68740s) stopped
T25 >> 1462716018.66423106 Initialization (1285.68742s) started
T25 >> 1462716018.85562301 Basic WFS set positions (1.31121s) started
T25 >> 1462716018.85564590 Redistribute (0.20560s) started
T25 << 1462716018.86086106 Redistribute (0.21082s) stopped
T25 << 1462716018.97487092 Basic WFS set positions (1.43046s) stopped
T25 >> 1462716018.97489905 Basis functions set positions (20.16385s) started
T25 << 1462716020.98426604 Basis functions set positions (22.17322s) stopped
T25 >> 1462716020.98612595 TCI: Calculate S, T, P (256.51264s) started
T25 << 1462716044.65313506 TCI: Calculate S, T, P (280.17965s) stopped
T25 >> 1462716044.65323591 blocked summation (189.29585s) started
T25 << 1462716067.38038707 blocked summation (212.02300s) stopped
T25 >> 1462716067.39508009 Scalapack redistribute (2.97650s) started
T25 << 1462716067.50366497 Scalapack redistribute (3.08509s) stopped
T25 >> 1462716067.50468111 blocked summation (212.02304s) started
T25 << 1462716069.02160501 blocked summation (213.53996s) stopped
T25 >> 1462716069.03155589 Scalapack redistribute (3.08516s) started
T25 << 1462716069.13454199 Scalapack redistribute (3.18814s) stopped
T25 >> 1462716069.13721108 Redistribute (0.55636s) started
T25 << 1462716069.22729206 Redistribute (0.64644s) stopped
T25 >> 1462716070.89752507 Redistribute (0.64648s) started
T25 << 1462716070.89876103 Redistribute (0.64771s) stopped
T25 >> 1462716070.91941094 LCAO WFS Initialize (784.40719s) started
T25 >> 1462716070.91945195 Density initialize from wavefunctions (147.57191s) started
T25 >> 1462716070.92428899 Calculate density matrix (100.72934s) started
T25 << 1462716081.01444602 Calculate density matrix (110.81949s) stopped
T25 >> 1462716081.01450396 Construct density (16.45130s) started
T25 << 1462716082.63312697 Construct density (18.06992s) stopped
T25 >> 1462716082.64608788 Symmetrize density (0.00079s) started
T25 << 1462716082.64614511 Symmetrize density (0.00085s) stopped
T25 << 1462716085.68909097 Density initialize from wavefunctions (162.34155s) stopped
T25 >> 1462716085.68997407 Hamiltonian (635.81232s) started
T25 >> 1462716085.69000506 vbar (0.26377s) started
T25 << 1462716085.71874809 vbar (0.29251s) stopped
T25 >> 1462716085.71886110 XC 3D grid (323.69530s) started
T25 >> 1462716086.20685101 van der Waals (312.76838s) started
T25 >> 1462716086.34263611 semilocal (69.88025s) started
T25 << 1462716093.22758603 semilocal (76.76520s) stopped
T25 >> 1462716093.31304789 redistribute (32.07011s) started
T25 << 1462716094.70205212 redistribute (33.45912s) stopped
T25 >> 1462716094.70211911 libvdwxc nonlocal (208.60282s) started
T25 << 1462716114.70462990 libvdwxc nonlocal (228.60533s) stopped
T25 >> 1462716114.70470095 redistribute (33.45915s) started
T25 << 1462716116.38221598 redistribute (35.13667s) stopped
T25 << 1462716116.38425398 van der Waals (342.94578s) stopped
T25 << 1462716116.86362696 XC 3D grid (354.84006s) stopped
T25 >> 1462716116.86367106 Poisson (177.96798s) started
T25 << 1462716130.10940194 Poisson (191.21371s) stopped
T25 >> 1462716130.10949707 Hartree integrate/restrict (4.28124s) started
T25 << 1462716130.17656994 Hartree integrate/restrict (4.34832s) stopped
T25 >> 1462716130.17663288 Hartree integrate/restrict (4.34835s) started
T25 << 1462716130.49676895 Hartree integrate/restrict (4.66849s) stopped
T25 >> 1462716130.54943609 Atomic (112.80744s) started
T25 >> 1462716130.56374192 XC Correction (81.89548s) started
T25 << 1462716139.13244009 XC Correction (90.46418s) stopped
T25 << 1462716141.73867607 Atomic (123.99668s) stopped
T25 >> 1462716141.73896790 Communicate (16.09997s) started
T25 << 1462716142.81149697 Communicate (17.17250s) stopped
T25 << 1462716142.81152105 Hamiltonian (692.93386s) stopped
T25 << 1462716142.81157589 LCAO WFS Initialize (856.29935s) stopped
T25 << 1462716142.82366300 Initialization (1409.84685s) stopped
T25 >> 1462716142.85127211 SCF-cycle (17476.04153s) started
T25 >> 1462716142.85131598 LCAO eigensolver (9036.17423s) started
T25 >> 1462716142.85132909 Potential matrix (307.30184s) started
T25 << 1462716145.21138906 Potential matrix (309.66190s) stopped
T25 >> 1462716145.21147609 DistributedAtomicCorrection (128.20886s) started
T25 << 1462716146.15271211 DistributedAtomicCorrection (129.15009s) stopped
T25 >> 1462716146.15275598 Distribute overlap matrix (682.71729s) started
T25 >> 1462716146.15280294 blocked summation (667.08020s) started
T25 << 1462716151.76302004 blocked summation (672.69042s) stopped
T25 >> 1462716151.77214289 Scalapack redistribute (14.40757s) started
T25 << 1462716151.88064098 Scalapack redistribute (14.51607s) stopped
T25 << 1462716151.88069105 Distribute overlap matrix (688.44522s) stopped
T25 >> 1462716151.88634396 Blacs Orbital Layouts (7284.26850s) started
T25 >> 1462716151.89472890 General diagonalize (7253.09841s) started
T25 << 1462716209.94025707 General diagonalize (7311.14394s) stopped
T25 >> 1462716209.94032407 Redistribute coefs (2.45612s) started
T25 << 1462716209.95737195 Redistribute coefs (2.47317s) stopped
T25 >> 1462716209.95741510 Send coefs to domains (27.57312s) started
T25 << 1462716210.08252406 Send coefs to domains (27.69823s) stopped
T25 << 1462716210.08297706 Blacs Orbital Layouts (7342.46513s) stopped
T25 >> 1462716210.08300591 Calculate projections (632.92676s) started
T25 << 1462716214.93642592 Calculate projections (637.78018s) stopped
T25 << 1462716214.93677306 LCAO eigensolver (9108.25969s) stopped
T25 >> 1462716216.15229392 Density (2014.58352s) started
T25 >> 1462716216.15230894 Pseudo density (1641.92152s) started
T25 >> 1462716216.15366006 Calculate density matrix (1443.11985s) started
T25 << 1462716228.82107997 Calculate density matrix (1455.78727s) stopped
T25 >> 1462716228.82114291 Construct density (194.47096s) started
T25 << 1462716230.44279790 Construct density (196.09262s) stopped
T25 >> 1462716230.45563698 Symmetrize density (0.00929s) started
T25 << 1462716230.45569801 Symmetrize density (0.00935s) stopped
T25 << 1462716230.45778298 Pseudo density (1656.22700s) stopped
T25 >> 1462716230.45783806 Atomic density matrices (309.27003s) started
T25 << 1462716233.12900710 Atomic density matrices (311.94120s) stopped
T25 >> 1462716233.12906909 Multipole moments (1.03546s) started
T25 << 1462716233.13966203 Multipole moments (1.04605s) stopped
T25 >> 1462716233.13971806 Normalize (0.97648s) started
T25 << 1462716233.14631796 Normalize (0.98308s) stopped
T25 >> 1462716233.14640689 Mix (61.36777s) started
T25 << 1462716233.57969809 Mix (61.80107s) stopped
T25 << 1462716233.57981801 Density (2032.01104s) stopped
T25 >> 1462716233.57998109 Hamiltonian (6255.70857s) started
T25 >> 1462716233.57999897 vbar (3.34915s) started
T25 << 1462716233.61939192 vbar (3.38854s) stopped
T25 >> 1462716233.61950707 XC 3D grid (3788.73647s) started
T25 >> 1462716234.12356710 van der Waals (3670.89039s) started
T25 >> 1462716234.25705910 semilocal (766.49982s) started
T25 << 1462716240.88210011 semilocal (773.12487s) stopped
T25 >> 1462716240.98855996 redistribute (624.68098s) started
T25 << 1462716242.56734490 redistribute (626.25976s) stopped
T25 >> 1462716242.56739092 libvdwxc nonlocal (2254.87913s) started
T25 << 1462716262.49399590 libvdwxc nonlocal (2274.80574s) stopped
T25 >> 1462716262.49406791 redistribute (626.25979s) started
T25 << 1462716264.40612793 redistribute (628.17185s) stopped
T25 << 1462716264.40798211 van der Waals (3701.17481s) stopped
T25 << 1462716264.89190292 XC 3D grid (3820.00886s) stopped
T25 >> 1462716264.89194608 Poisson (1127.68229s) started
T25 << 1462716277.89700794 Poisson (1140.68735s) stopped
T25 >> 1462716277.89707398 Hartree integrate/restrict (45.51510s) started
T25 << 1462716277.95235205 Hartree integrate/restrict (45.57038s) stopped
T25 >> 1462716277.95241404 Hartree integrate/restrict (45.57042s) started
T25 << 1462716278.29192996 Hartree integrate/restrict (45.90994s) stopped
T25 >> 1462716278.34780908 Atomic (1060.74309s) started
T25 >> 1462716278.36166000 XC Correction (799.58586s) started
T25 << 1462716286.61837411 XC Correction (807.84257s) stopped
T25 << 1462716289.27892709 Atomic (1071.67421s) stopped
T25 >> 1462716289.27919412 Communicate (223.19506s) started
T25 << 1462716290.26118398 Communicate (224.17705s) stopped
T25 << 1462716290.26120996 Hamiltonian (6312.38980s) stopped
T25 >> 1462716290.26131296 LCAO eigensolver (9108.25971s) started
T25 >> 1462716290.26132798 Potential matrix (309.66195s) started
T25 << 1462716292.65041304 Potential matrix (312.05103s) stopped
T25 >> 1462716292.65050507 DistributedAtomicCorrection (129.15013s) started
T25 << 1462716293.58643293 DistributedAtomicCorrection (130.08606s) stopped
T25 >> 1462716293.58647704 Distribute overlap matrix (688.44524s) started
T25 >> 1462716293.58652592 blocked summation (672.69045s) started
T25 << 1462716298.87482095 blocked summation (677.97874s) stopped
T25 >> 1462716298.88467789 Scalapack redistribute (14.51611s) started
T25 << 1462716298.99223399 Scalapack redistribute (14.62366s) stopped
T25 << 1462716298.99229789 Distribute overlap matrix (693.85106s) stopped
T25 >> 1462716298.99819994 Blacs Orbital Layouts (7342.46515s) started
T25 >> 1462716299.00698400 General diagonalize (7311.14400s) started
T25 << 1462716354.51336503 General diagonalize (7366.65038s) stopped
T25 >> 1462716354.51343393 Redistribute coefs (2.47321s) started
T25 << 1462716354.53104305 Redistribute coefs (2.49082s) stopped
T25 >> 1462716354.53108692 Send coefs to domains (27.69827s) started
T25 << 1462716354.60847211 Send coefs to domains (27.77565s) stopped
T25 << 1462716354.60901904 Blacs Orbital Layouts (7398.07597s) stopped
T25 >> 1462716354.60905409 Calculate projections (637.78024s) started
T25 << 1462716359.45881200 Calculate projections (642.63000s) stopped
T25 << 1462716359.45915294 LCAO eigensolver (9177.45755s) stopped
T25 >> 1462716360.64707994 Density (2032.01106s) started
T25 >> 1462716360.64709496 Pseudo density (1656.22704s) started
T25 >> 1462716360.64850497 Calculate density matrix (1455.78732s) started
T25 << 1462716373.26677799 Calculate density matrix (1468.40559s) stopped
T25 >> 1462716373.26683307 Construct density (196.09267s) started
T25 << 1462716374.88325000 Construct density (197.70909s) stopped
T25 >> 1462716374.93416500 Symmetrize density (0.00937s) started
T25 << 1462716374.93422508 Symmetrize density (0.00943s) stopped
T25 << 1462716374.93632293 Pseudo density (1670.51627s) stopped
T25 >> 1462716374.93637991 Atomic density matrices (311.94123s) started
T25 << 1462716377.55946398 Atomic density matrices (314.56431s) stopped
T25 >> 1462716377.55950809 Multipole moments (1.04607s) started
T25 << 1462716377.56874895 Multipole moments (1.05531s) stopped
T25 >> 1462716377.56880403 Normalize (0.98315s) started
T25 << 1462716377.57545900 Normalize (0.98981s) stopped
T25 >> 1462716377.57558489 Mix (61.80118s) started
T25 << 1462716378.06896400 Mix (62.29456s) stopped
T25 << 1462716378.06905389 Density (2049.43304s) stopped
T25 >> 1462716378.06917906 Hamiltonian (6312.38982s) started
T25 >> 1462716378.06919599 vbar (3.38861s) started
T25 << 1462716378.09575510 vbar (3.41516s) stopped
T25 >> 1462716378.09588099 XC 3D grid (3820.00890s) started
T25 >> 1462716378.60417104 van der Waals (3701.17486s) started
T25 >> 1462716378.73500299 semilocal (773.12496s) started
T25 << 1462716385.39130402 semilocal (779.78126s) stopped
T25 >> 1462716385.48145509 redistribute (628.17194s) started
T25 << 1462716386.80172491 redistribute (629.49221s) stopped
T25 >> 1462716386.80176997 libvdwxc nonlocal (2274.80579s) started
T25 << 1462716406.62758803 libvdwxc nonlocal (2294.63161s) stopped
T25 >> 1462716406.62763000 redistribute (629.49225s) started
T25 << 1462716408.55545497 redistribute (631.42007s) stopped
T25 << 1462716408.55690002 van der Waals (3731.12758s) stopped
T25 << 1462716409.03736210 XC 3D grid (3850.95038s) stopped
T25 >> 1462716409.03740597 Poisson (1140.68740s) started
T25 << 1462716415.00665212 Poisson (1146.65665s) stopped
T25 >> 1462716415.00671506 Hartree integrate/restrict (45.90997s) started
T25 << 1462716415.05540490 Hartree integrate/restrict (45.95866s) stopped
T25 >> 1462716415.05544996 Hartree integrate/restrict (45.95869s) started
T25 << 1462716415.40263605 Hartree integrate/restrict (46.30588s) stopped
T25 >> 1462716415.45502901 Atomic (1071.67423s) started
T25 >> 1462716415.46850395 XC Correction (807.84260s) started
T25 << 1462716423.40651393 XC Correction (815.78061s) stopped
T25 << 1462716425.19622111 Atomic (1081.41542s) stopped
T25 >> 1462716425.19644594 Communicate (224.17707s) started
T25 << 1462716427.41386509 Communicate (226.39449s) stopped
T25 << 1462716427.41388988 Hamiltonian (6361.73453s) stopped
T25 >> 1462716427.41398311 LCAO eigensolver (9177.45757s) started
T25 >> 1462716427.41399789 Potential matrix (312.05108s) started
T25 << 1462716429.80459189 Potential matrix (314.44168s) stopped
T25 >> 1462716429.80468011 DistributedAtomicCorrection (130.08609s) started
T25 << 1462716430.75689507 DistributedAtomicCorrection (131.03831s) stopped
T25 >> 1462716430.75693798 Distribute overlap matrix (693.85107s) started
T25 >> 1462716430.75698400 blocked summation (677.97878s) started
T25 << 1462716436.05095196 blocked summation (683.27275s) stopped
T25 >> 1462716436.06103897 Scalapack redistribute (14.62370s) started
T25 << 1462716436.15695405 Scalapack redistribute (14.71961s) stopped
T25 << 1462716436.15705204 Distribute overlap matrix (699.25118s) stopped
T25 >> 1462716436.16230893 Blacs Orbital Layouts (7398.07599s) started
T25 >> 1462716436.17126107 General diagonalize (7366.65043s) started
T25 << 1462716493.14621711 General diagonalize (7423.62539s) stopped
T25 >> 1462716493.14626503 Redistribute coefs (2.49085s) started
T25 << 1462716493.17694306 Redistribute coefs (2.52153s) stopped
T25 >> 1462716493.17727590 Send coefs to domains (27.77569s) started
T25 << 1462716493.99409008 Send coefs to domains (28.59251s) stopped
T25 << 1462716493.99458289 Blacs Orbital Layouts (7455.90826s) stopped
T25 >> 1462716493.99461699 Calculate projections (642.63005s) started
T25 << 1462716498.89134693 Calculate projections (647.52678s) stopped
T25 << 1462716498.89171696 LCAO eigensolver (9248.93530s) stopped
T25 >> 1462716500.06781101 Density (2049.43306s) started
T25 >> 1462716500.06782603 Pseudo density (1670.51631s) started
T25 >> 1462716500.06950212 Calculate density matrix (1468.40563s) started
T25 << 1462716512.69522095 Calculate density matrix (1481.03134s) stopped
T25 >> 1462716512.69527698 Construct density (197.70914s) started
T25 << 1462716514.32214403 Construct density (199.33601s) stopped
T25 >> 1462716514.33589411 Symmetrize density (0.00948s) started
T25 << 1462716514.33596206 Symmetrize density (0.00954s) stopped
T25 << 1462716514.33835196 Pseudo density (1684.78684s) stopped
T25 >> 1462716514.33840990 Atomic density matrices (314.56433s) started
T25 << 1462716517.00116706 Atomic density matrices (317.22709s) stopped
T25 >> 1462716517.00121498 Multipole moments (1.05533s) started
T25 << 1462716517.00966501 Multipole moments (1.06378s) stopped
T25 >> 1462716517.00972104 Normalize (0.98991s) started
T25 << 1462716517.01749992 Normalize (0.99769s) stopped
T25 >> 1462716517.01756001 Mix (62.29465s) started
T25 << 1462716517.51066399 Mix (62.78775s) stopped
T25 << 1462716517.51075006 Density (2066.87599s) stopped
T25 >> 1462716517.51086307 Hamiltonian (6361.73454s) started
T25 >> 1462716517.51088095 vbar (3.41523s) started
T25 << 1462716517.54300094 vbar (3.44735s) stopped
T25 >> 1462716517.54310298 XC 3D grid (3850.95041s) started
T25 >> 1462716518.06679296 van der Waals (3731.12763s) started
T25 >> 1462716518.20161009 semilocal (779.78133s) started
T25 << 1462716525.31882596 semilocal (786.89854s) stopped
T25 >> 1462716525.38278699 redistribute (631.42016s) started
T25 << 1462716526.30218911 redistribute (632.33956s) stopped
T25 >> 1462716526.30223298 libvdwxc nonlocal (2294.63164s) started
T25 << 1462716544.84350204 libvdwxc nonlocal (2313.17291s) stopped
T25 >> 1462716544.84355807 redistribute (632.33959s) started
T25 << 1462716546.60992789 redistribute (634.10596s) stopped
T25 << 1462716546.61213708 van der Waals (3759.67297s) stopped
T25 << 1462716547.10157490 XC 3D grid (3880.50889s) stopped
T25 >> 1462716547.10163903 Poisson (1146.65669s) started
T25 << 1462716555.66632795 Poisson (1155.22138s) stopped
T25 >> 1462716555.66642189 Hartree integrate/restrict (46.30594s) started
T25 << 1462716555.71270108 Hartree integrate/restrict (46.35222s) stopped
T25 >> 1462716555.71274495 Hartree integrate/restrict (46.35225s) started
T25 << 1462716556.15584707 Hartree integrate/restrict (46.79535s) stopped
T25 >> 1462716556.21025705 Atomic (1081.41544s) started
T25 >> 1462716556.22424006 XC Correction (815.78063s) started
T25 << 1462716564.12739205 XC Correction (823.68379s) stopped
T25 << 1462716565.85275793 Atomic (1091.05795s) stopped
T25 >> 1462716565.85303903 Communicate (226.39450s) started
T25 << 1462716568.20893192 Communicate (228.75040s) stopped
T25 << 1462716568.20895910 Hamiltonian (6412.43263s) stopped
T25 >> 1462716568.20907211 LCAO eigensolver (9248.93532s) started
T25 >> 1462716568.20908809 Potential matrix (314.44173s) started
T25 << 1462716570.59191108 Potential matrix (316.82455s) stopped
T25 >> 1462716570.59201288 DistributedAtomicCorrection (131.03834s) started
T25 << 1462716571.56483197 DistributedAtomicCorrection (132.01116s) stopped
T25 >> 1462716571.56487989 Distribute overlap matrix (699.25119s) started
T25 >> 1462716571.56493211 blocked summation (683.27278s) started
T25 << 1462716576.86185789 blocked summation (688.56971s) stopped
T25 >> 1462716576.87149000 Scalapack redistribute (14.71967s) started
T25 << 1462716576.99839211 Scalapack redistribute (14.84657s) stopped
T25 << 1462716576.99845791 Distribute overlap matrix (704.68477s) stopped
T25 >> 1462716577.00334907 Blacs Orbital Layouts (7455.90828s) started
T25 >> 1462716577.01155996 General diagonalize (7423.62543s) started
T25 << 1462716633.44535494 General diagonalize (7480.05922s) stopped
T25 >> 1462716633.44540095 Redistribute coefs (2.52185s) started
T25 << 1462716633.46061301 Redistribute coefs (2.53706s) stopped
T25 >> 1462716633.46065593 Send coefs to domains (28.59255s) started
T25 << 1462716633.61554193 Send coefs to domains (28.74743s) stopped
T25 << 1462716633.61609197 Blacs Orbital Layouts (7512.52103s) stopped
T25 >> 1462716633.61612201 Calculate projections (647.52681s) started
T25 << 1462716638.50820994 Calculate projections (652.41890s) stopped
T25 << 1462716638.50838494 LCAO eigensolver (9319.23463s) stopped
T25 >> 1462716639.90021706 Density (2066.87601s) started
T25 >> 1462716639.90023398 Pseudo density (1684.78689s) started
T25 >> 1462716639.90177011 Calculate density matrix (1481.03138s) started
T25 << 1462716652.62649608 Calculate density matrix (1493.75611s) stopped
T25 >> 1462716652.62655306 Construct density (199.33606s) started
T25 << 1462716654.25017905 Construct density (200.95969s) stopped
T25 >> 1462716654.26457310 Symmetrize density (0.00956s) started
T25 << 1462716654.26463103 Symmetrize density (0.00962s) stopped
T25 << 1462716654.26702595 Pseudo density (1699.15368s) stopped
T25 >> 1462716654.26708603 Atomic density matrices (317.22712s) started
T25 << 1462716656.94525695 Atomic density matrices (319.90529s) stopped
T25 >> 1462716656.94530106 Multipole moments (1.06380s) started
T25 << 1462716656.95548010 Multipole moments (1.07398s) stopped
T25 >> 1462716656.95553708 Normalize (0.99774s) started
T25 << 1462716656.96328712 Normalize (1.00549s) stopped
T25 >> 1462716656.96334791 Mix (62.78783s) started
T25 << 1462716657.45606494 Mix (63.28055s) stopped
T25 << 1462716657.45613909 Density (2084.43193s) stopped
T25 >> 1462716657.45624709 Hamiltonian (6412.43265s) started
T25 >> 1462716657.45626402 vbar (3.44741s) started
T25 << 1462716657.48771691 vbar (3.47887s) stopped
T25 >> 1462716657.48786497 XC 3D grid (3880.50894s) started
T25 >> 1462716657.97682905 van der Waals (3759.67306s) started
T25 >> 1462716658.11101389 semilocal (786.89862s) started
T25 << 1462716664.79393792 semilocal (793.58154s) stopped
T25 >> 1462716664.88619089 redistribute (634.10610s) started
T25 << 1462716672.84422112 redistribute (642.06413s) stopped
T25 >> 1462716672.84426093 libvdwxc nonlocal (2313.17295s) started
T25 << 1462716691.70349908 libvdwxc nonlocal (2332.03219s) stopped
T25 >> 1462716691.70356989 redistribute (642.06416s) started
T25 << 1462716693.64232993 redistribute (644.00292s) stopped
T25 << 1462716693.64435506 van der Waals (3795.34058s) stopped
T25 << 1462716694.13802505 XC 3D grid (3917.15910s) stopped
T25 >> 1462716694.13806510 Poisson (1155.22145s) started
T25 << 1462716699.91097903 Poisson (1160.99437s) stopped
T25 >> 1462716699.91109991 Hartree integrate/restrict (46.79541s) started
T25 << 1462716699.94819307 Hartree integrate/restrict (46.83250s) stopped
T25 >> 1462716699.94837999 Hartree integrate/restrict (46.83263s) started
T25 << 1462716700.29626799 Hartree integrate/restrict (47.18052s) stopped
T25 >> 1462716700.35359311 Atomic (1091.05797s) started
T25 >> 1462716700.36772490 XC Correction (823.68382s) started
T25 << 1462716708.29744101 XC Correction (831.61353s) stopped
T25 << 1462716710.05018592 Atomic (1100.75456s) stopped
T25 >> 1462716710.05043101 Communicate (228.75041s) started
T25 << 1462716712.34672499 Communicate (231.04671s) stopped
T25 << 1462716712.34675002 Hamiltonian (6467.32315s) stopped
T25 >> 1462716712.34684110 LCAO eigensolver (9319.23465s) started
T25 >> 1462716712.34685612 Potential matrix (316.82461s) started
T25 << 1462716714.72334790 Potential matrix (319.20110s) stopped
T25 >> 1462716714.72344589 DistributedAtomicCorrection (132.01120s) started
T25 << 1462716715.64349508 DistributedAtomicCorrection (132.93125s) stopped
T25 >> 1462716715.64354396 Distribute overlap matrix (704.68478s) started
T25 >> 1462716715.64358592 blocked summation (688.56974s) started
T25 << 1462716721.02809811 blocked summation (693.95425s) stopped
T25 >> 1462716721.03793907 Scalapack redistribute (14.84660s) started
T25 << 1462716721.15911007 Scalapack redistribute (14.96778s) stopped
T25 << 1462716721.15919209 Distribute overlap matrix (710.20043s) stopped
T25 >> 1462716721.16401196 Blacs Orbital Layouts (7512.52105s) started
T25 >> 1462716721.17331791 General diagonalize (7480.05926s) started
T25 << 1462716777.22652602 General diagonalize (7536.11247s) stopped
T25 >> 1462716777.22660303 Redistribute coefs (2.53710s) started
T25 << 1462716777.25427294 Redistribute coefs (2.56477s) stopped
T25 >> 1462716777.25431395 Send coefs to domains (28.74747s) started
T25 << 1462716777.98616791 Send coefs to domains (29.47932s) stopped
T25 << 1462716777.98663211 Blacs Orbital Layouts (7569.34367s) stopped
T25 >> 1462716777.98666310 Calculate projections (652.41896s) started
T25 << 1462716782.88257408 Calculate projections (657.31487s) stopped
T25 << 1462716782.88273001 LCAO eigensolver (9389.77054s) stopped
T25 >> 1462716784.06877589 Density (2084.43195s) started
T25 >> 1462716784.06879210 Pseudo density (1699.15373s) started
T25 >> 1462716784.07066488 Calculate density matrix (1493.75614s) started
T25 << 1462716796.72647405 Calculate density matrix (1506.41195s) stopped
T25 >> 1462716796.72652793 Construct density (200.95975s) started
T25 << 1462716798.34291911 Construct density (202.57614s) stopped
T25 >> 1462716798.35665202 Symmetrize density (0.00964s) started
T25 << 1462716798.35671806 Symmetrize density (0.00970s) stopped
T25 << 1462716798.35910511 Pseudo density (1713.44404s) stopped
T25 >> 1462716798.35916591 Atomic density matrices (319.90531s) started
T25 << 1462716801.01676893 Atomic density matrices (322.56292s) stopped
T25 >> 1462716801.01681304 Multipole moments (1.07400s) started
T25 << 1462716801.02661395 Multipole moments (1.08380s) stopped
T25 >> 1462716801.02666998 Normalize (1.00553s) started
T25 << 1462716801.03423405 Normalize (1.01310s) stopped
T25 >> 1462716801.03428507 Mix (63.28062s) started
T25 << 1462716801.56589890 Mix (63.81223s) stopped
T25 << 1462716801.56598592 Density (2101.92916s) stopped
T25 >> 1462716801.56610703 Hamiltonian (6467.32316s) started
T25 >> 1462716801.56612611 vbar (3.47894s) started
T25 << 1462716801.59828711 vbar (3.51111s) stopped
T25 >> 1462716801.59841299 XC 3D grid (3917.15913s) started
T25 >> 1462716802.08527493 van der Waals (3795.34068s) started
T25 >> 1462716802.22107100 semilocal (793.58167s) started
T25 << 1462716871.59153605 semilocal (862.95213s) stopped
T25 >> 1462716871.67381692 redistribute (644.00304s) started
T25 << 1462716932.59743094 redistribute (704.92665s) stopped
T25 >> 1462716932.59747410 libvdwxc nonlocal (2332.03224s) started
T25 << 1462716951.76967597 libvdwxc nonlocal (2351.20444s) stopped
T25 >> 1462716951.76974392 redistribute (704.92669s) started
T25 << 1462716953.83293295 redistribute (706.98988s) stopped
T25 << 1462716953.83535695 van der Waals (3947.09076s) stopped
T25 << 1462716954.32873702 XC 3D grid (4069.88945s) stopped
T25 >> 1462716954.32877493 Poisson (1160.99445s) started
T25 << 1462716958.78404188 Poisson (1165.44972s) stopped
T25 >> 1462716958.78411102 Hartree integrate/restrict (47.18060s) started
T25 << 1462716958.81911993 Hartree integrate/restrict (47.21561s) stopped
T25 >> 1462716958.81918812 Hartree integrate/restrict (47.21565s) started
T25 << 1462716959.18973804 Hartree integrate/restrict (47.58620s) stopped
T25 >> 1462716959.24362302 Atomic (1100.75458s) started
T25 >> 1462716959.25737906 XC Correction (831.61356s) started
T25 << 1462716967.18788791 XC Correction (839.54407s) stopped
T25 << 1462716968.91203690 Atomic (1110.42300s) stopped
T25 >> 1462716968.91225100 Communicate (231.04672s) started
T25 << 1462716970.61984396 Communicate (232.75432s) stopped
T25 << 1462716970.61987305 Hamiltonian (6636.37693s) stopped
T25 >> 1462716970.61999798 LCAO eigensolver (9389.77056s) started
T25 >> 1462716970.62001300 Potential matrix (319.20115s) started
T25 << 1462716973.00977206 Potential matrix (321.59091s) stopped
T25 >> 1462716973.00985789 DistributedAtomicCorrection (132.93129s) started
T25 << 1462716973.95528507 DistributedAtomicCorrection (133.87672s) stopped
T25 >> 1462716973.95532894 Distribute overlap matrix (710.20044s) started
T25 >> 1462716973.95537400 blocked summation (693.95428s) started
T25 << 1462716979.21977210 blocked summation (699.21868s) stopped
T25 >> 1462716979.22933197 Scalapack redistribute (14.96782s) started
T25 << 1462716979.34263706 Scalapack redistribute (15.08113s) stopped
T25 << 1462716979.34270692 Distribute overlap matrix (715.58782s) stopped
T25 >> 1462716979.34785891 Blacs Orbital Layouts (7569.34369s) started
T25 >> 1462716979.35608792 General diagonalize (7536.11253s) started
T25 << 1462717035.33223295 General diagonalize (7592.08868s) stopped
T25 >> 1462717035.33230710 Redistribute coefs (2.56480s) started
T25 << 1462717035.35013294 Redistribute coefs (2.58263s) stopped
T25 >> 1462717035.35017490 Send coefs to domains (29.47935s) started
T25 << 1462717035.43128705 Send coefs to domains (29.56047s) stopped
T25 << 1462717035.43192101 Blacs Orbital Layouts (7625.42775s) stopped
T25 >> 1462717035.43195510 Calculate projections (657.31490s) started
T25 << 1462717040.32630610 Calculate projections (662.20925s) stopped
T25 << 1462717040.32651997 LCAO eigensolver (9459.47708s) stopped
T25 >> 1462717041.50740790 Density (2101.92917s) started
T25 >> 1462717041.50742292 Pseudo density (1713.44409s) started
T25 >> 1462717041.50930190 Calculate density matrix (1506.41199s) started
T25 << 1462717054.09301496 Calculate density matrix (1518.99570s) stopped
T25 >> 1462717054.09306693 Construct density (202.57620s) started
T25 << 1462717055.71579289 Construct density (204.19892s) stopped
T25 >> 1462717055.72961307 Symmetrize density (0.00972s) started
T25 << 1462717055.72967792 Symmetrize density (0.00978s) stopped
T25 << 1462717055.73206997 Pseudo density (1727.66874s) stopped
T25 >> 1462717055.73213100 Atomic density matrices (322.56294s) started
T25 << 1462717058.38903594 Atomic density matrices (325.21985s) stopped
T25 >> 1462717058.38908005 Multipole moments (1.08381s) started
T25 << 1462717058.39735198 Multipole moments (1.09208s) stopped
T25 >> 1462717058.39740705 Normalize (1.01313s) started
T25 << 1462717058.40492892 Normalize (1.02066s) stopped
T25 >> 1462717058.40497994 Mix (63.81232s) started
T25 << 1462717058.93378091 Mix (64.34112s) stopped
T25 << 1462717058.93385696 Density (2119.35562s) stopped
T25 >> 1462717058.93397808 Hamiltonian (6636.37694s) started
T25 >> 1462717058.93399906 vbar (3.51117s) started
T25 << 1462717058.97361708 vbar (3.55079s) stopped
T25 >> 1462717058.97374010 XC 3D grid (4069.88948s) started
T25 >> 1462717059.43321991 van der Waals (3947.09087s) started
T25 >> 1462717059.56946707 semilocal (862.95224s) started
T25 << 1462717066.44354606 semilocal (869.82631s) stopped
T25 >> 1462717066.50488997 redistribute (706.98998s) started
T25 << 1462717067.55516696 redistribute (708.04025s) stopped
T25 >> 1462717067.55520892 libvdwxc nonlocal (2351.20450s) started
T25 << 1462717086.45479107 libvdwxc nonlocal (2370.10408s) stopped
T25 >> 1462717086.45485806 redistribute (708.04029s) started
T25 << 1462717088.36914992 redistribute (709.95458s) stopped
T25 << 1462717088.37070394 van der Waals (3976.02836s) stopped
T25 << 1462717088.86091495 XC 3D grid (4099.77666s) stopped
T25 >> 1462717088.86095500 Poisson (1165.44977s) started
T25 << 1462717093.20579410 Poisson (1169.79461s) stopped
T25 >> 1462717093.20589995 Hartree integrate/restrict (47.58623s) started
T25 << 1462717093.24508405 Hartree integrate/restrict (47.62542s) stopped
T25 >> 1462717093.24516010 Hartree integrate/restrict (47.62546s) started
T25 << 1462717093.61965609 Hartree integrate/restrict (47.99996s) stopped
T25 >> 1462717093.67625499 Atomic (1110.42302s) started
T25 >> 1462717093.69034290 XC Correction (839.54409s) started
T25 << 1462717101.62364411 XC Correction (847.47739s) stopped
T25 << 1462717103.34568000 Atomic (1120.09244s) stopped
T25 >> 1462717103.34594393 Communicate (232.75433s) started
T25 << 1462717105.46022296 Communicate (234.86861s) stopped
T25 << 1462717105.46024895 Hamiltonian (6682.90321s) stopped
T25 >> 1462717105.46034503 LCAO eigensolver (9459.47710s) started
T25 >> 1462717105.46036100 Potential matrix (321.59096s) started
T25 << 1462717107.83583903 Potential matrix (323.96644s) stopped
T25 >> 1462717107.83593702 DistributedAtomicCorrection (133.87676s) started
T25 << 1462717108.77240992 DistributedAtomicCorrection (134.81323s) stopped
T25 >> 1462717108.77245808 Distribute overlap matrix (715.58783s) started
T25 >> 1462717108.77250695 blocked summation (699.21871s) started
T25 << 1462717114.01926494 blocked summation (704.46547s) stopped
T25 >> 1462717114.02866006 Scalapack redistribute (15.08117s) started
T25 << 1462717114.14101195 Scalapack redistribute (15.19352s) stopped
T25 << 1462717114.14107704 Distribute overlap matrix (720.95645s) stopped
T25 >> 1462717114.14794111 Blacs Orbital Layouts (7625.42777s) started
T25 >> 1462717114.15881801 General diagonalize (7592.08874s) started
T25 << 1462717171.49249005 General diagonalize (7649.42241s) stopped
T25 >> 1462717171.49253893 Redistribute coefs (2.58266s) started
T25 << 1462717171.50974488 Redistribute coefs (2.59986s) stopped
T25 >> 1462717171.50978899 Send coefs to domains (29.56050s) started
T25 << 1462717171.75616693 Send coefs to domains (29.80688s) stopped
T25 << 1462717171.75679302 Blacs Orbital Layouts (7683.03662s) stopped
T25 >> 1462717171.75682092 Calculate projections (662.20931s) started
T25 << 1462717176.60403204 Calculate projections (667.05652s) stopped
T25 << 1462717176.60422707 LCAO eigensolver (9530.62098s) stopped
T25 >> 1462717177.82711697 Density (2119.35564s) started
T25 >> 1462717177.82713294 Pseudo density (1727.66879s) started
T25 >> 1462717177.82841396 Calculate density matrix (1518.99573s) started
T25 << 1462717190.52314997 Calculate density matrix (1531.69047s) stopped
T25 >> 1462717190.52320695 Construct density (204.19898s) started
T25 << 1462717192.13589311 Construct density (205.81167s) stopped
T25 >> 1462717192.14798188 Symmetrize density (0.00980s) started
T25 << 1462717192.14804101 Symmetrize density (0.00986s) stopped
T25 << 1462717192.15009999 Pseudo density (1741.99175s) stopped
T25 >> 1462717192.15015101 Atomic density matrices (325.21987s) started
T25 << 1462717194.83377790 Atomic density matrices (327.90350s) stopped
T25 >> 1462717194.83382106 Multipole moments (1.09210s) started
T25 << 1462717194.84536195 Multipole moments (1.10364s) stopped
T25 >> 1462717194.84541607 Normalize (1.02069s) started
T25 << 1462717194.85230589 Normalize (1.02758s) stopped
T25 >> 1462717194.85238194 Mix (64.34119s) started
T25 << 1462717195.49311399 Mix (64.98192s) stopped
T25 << 1462717195.49317694 Density (2137.02170s) stopped
T25 >> 1462717195.49325895 Hamiltonian (6682.90322s) started
T25 >> 1462717195.49327397 vbar (3.55086s) started
T25 << 1462717195.51106000 vbar (3.56864s) stopped
T25 >> 1462717195.51114988 XC 3D grid (4099.77669s) started
T25 >> 1462717196.00609803 van der Waals (3976.02845s) started
T25 >> 1462717196.13814211 semilocal (869.82639s) started
T25 << 1462717281.13522506 semilocal (954.82347s) stopped
T25 >> 1462717281.22733808 redistribute (709.95462s) started
T25 << 1462717282.31448388 redistribute (711.04177s) stopped
T25 >> 1462717282.31452799 libvdwxc nonlocal (2370.10413s) started
T25 << 1462717301.44146895 libvdwxc nonlocal (2389.23107s) stopped
T25 >> 1462717301.44153309 redistribute (711.04180s) started
T25 << 1462717303.09297299 redistribute (712.69324s) stopped
T25 << 1462717303.09491301 van der Waals (4083.11726s) stopped
T25 << 1462717303.58919692 XC 3D grid (4207.85474s) stopped
T25 >> 1462717303.58924103 Poisson (1169.79469s) started
T25 << 1462717306.56922698 Poisson (1172.77468s) stopped
T25 >> 1462717306.56929398 Hartree integrate/restrict (48.00002s) started
T25 << 1462717306.62457395 Hartree integrate/restrict (48.05530s) stopped
T25 >> 1462717306.62462902 Hartree integrate/restrict (48.05534s) started
T25 << 1462717306.94682193 Hartree integrate/restrict (48.37753s) stopped
T25 >> 1462717307.00278091 Atomic (1120.09247s) started
T25 >> 1462717307.01692200 XC Correction (847.47742s) started
T25 << 1462717314.97138095 XC Correction (855.43188s) stopped
T25 << 1462717316.72209191 Atomic (1129.81178s) stopped
T25 >> 1462717316.72231603 Communicate (234.86863s) started
T25 << 1462717318.68493104 Communicate (236.83124s) stopped
T25 << 1462717318.68495607 Hamiltonian (6806.09492s) stopped
T25 >> 1462717318.68505096 LCAO eigensolver (9530.62100s) started
T25 >> 1462717318.68506598 Potential matrix (323.96650s) started
T25 << 1462717321.05887198 Potential matrix (326.34030s) stopped
T25 >> 1462717321.05895495 DistributedAtomicCorrection (134.81327s) started
T25 << 1462717322.00017500 DistributedAtomicCorrection (135.75449s) stopped
T25 >> 1462717322.00021696 Distribute overlap matrix (720.95647s) started
T25 >> 1462717322.00026488 blocked summation (704.46550s) started
T25 << 1462717327.27682710 blocked summation (709.74207s) stopped
T25 >> 1462717327.28558397 Scalapack redistribute (15.19356s) started
T25 << 1462717327.40121388 Scalapack redistribute (15.30919s) stopped
T25 << 1462717327.40129995 Distribute overlap matrix (726.35755s) stopped
T25 >> 1462717327.40693402 Blacs Orbital Layouts (7683.03664s) started
T25 >> 1462717327.41511297 General diagonalize (7649.42245s) started
T25 << 1462717381.62008810 General diagonalize (7703.62742s) stopped
T25 >> 1462717381.62013888 Redistribute coefs (2.59990s) started
T25 << 1462717381.65081310 Redistribute coefs (2.63057s) stopped
T25 >> 1462717381.65085411 Send coefs to domains (29.80691s) started
T25 << 1462717382.26553798 Send coefs to domains (30.42160s) stopped
T25 << 1462717382.26612091 Blacs Orbital Layouts (7737.89583s) stopped
T25 >> 1462717382.26615095 Calculate projections (667.05657s) started
T25 << 1462717387.15780306 Calculate projections (671.94822s) stopped
T25 << 1462717387.15806794 LCAO eigensolver (9599.09402s) stopped
T25 << 1462717388.33806705 SCF-cycle (18721.52832s) stopped
T25 >> 1462717391.05876493 Force calculation (949.51224s) started
T25 >> 1462717391.05885911 LCAO forces (852.38762s) started
T25 >> 1462717391.05924392 Initial (0.00024s) started
T25 << 1462717391.05925488 Initial (0.00025s) stopped
T25 >> 1462717391.06487989 Get density matrix (397.13321s) started
T25 << 1462717400.36783695 Get density matrix (406.43616s) stopped
T25 >> 1462717400.36788201 Potential (137.25370s) started
T25 << 1462717412.70309305 Potential (149.58891s) stopped
T25 >> 1462717412.70315099 Get density matrix (406.43620s) started
T25 << 1462717439.73107100 Get density matrix (433.46412s) stopped
T25 >> 1462717439.73112988 Prepare TCI loop (26.67306s) started
T25 >> 1462717439.73169303 Get neighbors (24.03945s) started
T25 << 1462717441.92976594 Get neighbors (26.23753s) stopped
T25 >> 1462717441.93074393 broadcast dH (2.62155s) started
T25 << 1462717442.16072392 broadcast dH (2.85153s) stopped
T25 << 1462717442.16076994 Prepare TCI loop (29.10270s) stopped
T25 >> 1462717442.16078997 Not so complicated loop (113.69938s) started
T25 << 1462717452.74140000 Not so complicated loop (124.27999s) stopped
T25 >> 1462717452.86335397 Complicated loop (176.25484s) started
T25 << 1462717468.99945998 Complicated loop (192.39095s) stopped
T25 >> 1462717469.00206089 Wait for sum (0.00113s) started
T25 << 1462717469.00214696 Wait for sum (0.00122s) stopped
T25 << 1462717469.00216198 LCAO forces (930.33093s) stopped
T25 << 1462717478.05374289 Force calculation (1036.50722s) stopped
T25 >> 1462717478.07291603 Initialization (1409.84687s) started
T25 << 1462717478.07315111 Initialization (1409.84711s) stopped
T25 >> 1462717478.07360697 Initialization (1409.84713s) started
T25 << 1462717478.07377410 Initialization (1409.84730s) stopped
T25 >> 1462717478.07392907 Initialization (1409.84731s) started
T25 << 1462717478.07408595 Initialization (1409.84747s) stopped
T25 >> 1462717501.37807107 Initialization (1409.84749s) started
T25 >> 1462717501.65498590 Basic WFS set positions (1.43048s) started
T25 >> 1462717501.65501499 Redistribute (0.21083s) started
T25 << 1462717501.69042110 Redistribute (0.24624s) stopped
T25 << 1462717501.80616212 Basic WFS set positions (1.58166s) stopped
T25 >> 1462717501.80619407 Basis functions set positions (22.17324s) started
T25 << 1462717503.88979292 Basis functions set positions (24.25684s) stopped
T25 >> 1462717503.89126611 TCI: Calculate S, T, P (280.17968s) started
T25 << 1462717528.62717104 TCI: Calculate S, T, P (304.91559s) stopped
T25 >> 1462717528.62727904 blocked summation (213.54000s) started
T25 << 1462717553.05426407 blocked summation (237.96698s) stopped
T25 >> 1462717553.07118893 Scalapack redistribute (3.18819s) started
T25 << 1462717553.19089293 Scalapack redistribute (3.30790s) stopped
T25 >> 1462717553.19186902 blocked summation (237.96702s) started
T25 << 1462717554.48718905 blocked summation (239.26234s) stopped
T25 >> 1462717554.49633694 Scalapack redistribute (3.30796s) started
T25 << 1462717554.70916700 Scalapack redistribute (3.52079s) stopped
T25 >> 1462717554.71242905 Redistribute (0.64775s) started
T25 << 1462717554.81491399 Redistribute (0.75023s) stopped
T25 >> 1462717556.65819597 Redistribute (0.75026s) started
T25 << 1462717556.65966892 Redistribute (0.75173s) stopped
T25 >> 1462717556.68770099 LCAO WFS Initialize (856.29937s) started
T25 >> 1462717556.68772793 Density initialize from wavefunctions (162.34166s) started
T25 >> 1462717556.69082808 Calculate density matrix (110.81953s) started
T25 << 1462717566.85204411 Calculate density matrix (120.98075s) stopped
T25 >> 1462717566.85209990 Construct density (18.06998s) started
T25 << 1462717568.39429307 Construct density (19.61217s) stopped
T25 >> 1462717568.53017402 Symmetrize density (0.00086s) started
T25 << 1462717568.53023911 Symmetrize density (0.00093s) stopped
T25 << 1462717571.42539001 Density initialize from wavefunctions (177.07933s) stopped
T25 >> 1462717571.42613196 Hamiltonian (692.93388s) started
T25 >> 1462717571.42617106 vbar (0.29257s) started
T25 << 1462717571.45446491 vbar (0.32086s) stopped
T25 >> 1462717571.45462894 XC 3D grid (354.84010s) started
T25 >> 1462717571.93904090 van der Waals (342.94584s) started
T25 >> 1462717572.07473397 semilocal (76.76528s) started
T25 << 1462717579.09489298 semilocal (83.78544s) stopped
T25 >> 1462717579.15618801 redistribute (35.13673s) started
T25 << 1462717580.67681503 redistribute (36.65736s) stopped
T25 >> 1462717580.67688394 libvdwxc nonlocal (228.60539s) started
T25 << 1462717599.53304195 libvdwxc nonlocal (247.46155s) stopped
T25 >> 1462717599.53309202 redistribute (36.65739s) started
T25 << 1462717601.48081493 redistribute (38.60511s) stopped
T25 << 1462717601.48335195 van der Waals (372.49015s) stopped
T25 << 1462717601.96572709 XC 3D grid (385.35120s) stopped
T25 >> 1462717601.96577001 Poisson (191.21378s) started
T25 << 1462717620.61267805 Poisson (209.86069s) stopped
T25 >> 1462717620.61275792 Hartree integrate/restrict (4.66855s) started
T25 << 1462717620.65188098 Hartree integrate/restrict (4.70768s) stopped
T25 >> 1462717620.65197802 Hartree integrate/restrict (4.70773s) started
T25 << 1462717620.99849892 Hartree integrate/restrict (5.05425s) stopped
T25 >> 1462717621.05671096 Atomic (123.99670s) started
T25 >> 1462717621.07292008 XC Correction (90.46420s) started
T25 << 1462717630.81072211 XC Correction (100.20200s) stopped
T25 << 1462717632.52711010 Atomic (135.46710s) stopped
T25 >> 1462717632.52744508 Communicate (17.17252s) started
T25 << 1462717633.88087201 Communicate (18.52595s) stopped
T25 << 1462717633.88089705 Hamiltonian (755.38864s) stopped
T25 << 1462717633.88096309 LCAO WFS Initialize (933.49263s) stopped
T25 << 1462717633.89337301 Initialization (1542.36279s) stopped
T25 >> 1462717633.92126799 SCF-cycle (18721.52834s) started
T25 >> 1462717633.92131400 LCAO eigensolver (9599.09404s) started
T25 >> 1462717633.92132807 Potential matrix (326.34035s) started
T25 << 1462717636.22834992 Potential matrix (328.64737s) stopped
T25 >> 1462717636.22845101 DistributedAtomicCorrection (135.75452s) started
T25 << 1462717637.17844105 DistributedAtomicCorrection (136.70451s) stopped
T25 >> 1462717637.17849112 Distribute overlap matrix (726.35756s) started
T25 >> 1462717637.17853689 blocked summation (709.74210s) started
T25 << 1462717642.86943293 blocked summation (715.43300s) stopped
T25 >> 1462717642.87940097 Scalapack redistribute (15.30924s) started
T25 << 1462717642.96889591 Scalapack redistribute (15.39873s) stopped
T25 << 1462717642.96897411 Distribute overlap matrix (732.14804s) stopped
T25 >> 1462717642.97328997 Blacs Orbital Layouts (7737.89585s) started
T25 >> 1462717642.98120904 General diagonalize (7703.62747s) started
T25 << 1462717699.25222898 General diagonalize (7759.89849s) stopped
T25 >> 1462717699.25228310 Redistribute coefs (2.63060s) started
T25 << 1462717699.27660608 Redistribute coefs (2.65493s) stopped
T25 >> 1462717699.27664495 Send coefs to domains (30.42163s) started
T25 << 1462717699.79682994 Send coefs to domains (30.94182s) stopped
T25 << 1462717699.79728103 Blacs Orbital Layouts (7794.71984s) stopped
T25 >> 1462717699.79731202 Calculate projections (671.94829s) started
T25 << 1462717704.89140296 Calculate projections (677.04238s) stopped
T25 << 1462717704.89174294 LCAO eigensolver (9670.06447s) stopped
T25 >> 1462717706.22082710 Density (2137.02171s) started
T25 >> 1462717706.22083998 Pseudo density (1741.99179s) started
T25 >> 1462717706.22204709 Calculate density matrix (1531.69050s) started
T25 << 1462717719.03775001 Calculate density matrix (1544.50621s) stopped
T25 >> 1462717719.03780890 Construct density (205.81172s) started
T25 << 1462717720.57396889 Construct density (207.34788s) stopped
T25 >> 1462717720.77760196 Symmetrize density (0.00988s) started
T25 << 1462717720.77765203 Symmetrize density (0.00993s) stopped
T25 << 1462717720.77966404 Pseudo density (1756.55062s) stopped
T25 >> 1462717720.77971697 Atomic density matrices (327.90352s) started
T25 << 1462717723.29799390 Atomic density matrices (330.42180s) stopped
T25 >> 1462717723.29801989 Multipole moments (1.10366s) started
T25 << 1462717723.30687094 Multipole moments (1.11251s) stopped
T25 >> 1462717723.30692697 Normalize (1.02764s) started
T25 << 1462717723.31467295 Normalize (1.03539s) stopped
T25 >> 1462717723.31474590 Mix (64.98199s) started
T25 << 1462717723.74196792 Mix (65.40921s) stopped
T25 << 1462717723.74204993 Density (2154.54294s) stopped
T25 >> 1462717723.74219990 Hamiltonian (6806.09493s) started
T25 >> 1462717723.74221706 vbar (3.56869s) started
T25 << 1462717723.76804590 vbar (3.59452s) stopped
T25 >> 1462717723.76821399 XC 3D grid (4207.85477s) started
T25 >> 1462717724.26155305 van der Waals (4083.11736s) started
T25 >> 1462717724.39663291 semilocal (954.82358s) started
T25 << 1462717731.53330994 semilocal (961.96026s) stopped
T25 >> 1462717731.59732389 redistribute (712.69335s) started
T25 << 1462717732.70538402 redistribute (713.80141s) stopped
T25 >> 1462717732.70542789 libvdwxc nonlocal (2389.23112s) started
T25 << 1462717751.13716602 libvdwxc nonlocal (2407.66285s) stopped
T25 >> 1462717751.13722205 redistribute (713.80145s) started
T25 << 1462717754.16025090 redistribute (716.82448s) stopped
T25 << 1462717754.16247010 van der Waals (4113.01828s) stopped
T25 << 1462717754.63873410 XC 3D grid (4238.72529s) stopped
T25 >> 1462717754.63878489 Poisson (1172.77472s) started
T25 << 1462717768.79313898 Poisson (1186.92908s) stopped
T25 >> 1462717768.79320598 Hartree integrate/restrict (48.37759s) started
T25 << 1462717768.83908606 Hartree integrate/restrict (48.42347s) stopped
T25 >> 1462717768.83913398 Hartree integrate/restrict (48.42350s) started
T25 << 1462717769.17466593 Hartree integrate/restrict (48.75903s) stopped
T25 >> 1462717769.23492789 Atomic (1129.81180s) started
T25 >> 1462717769.25073290 XC Correction (855.43191s) started
T25 << 1462717778.63208008 XC Correction (864.81326s) stopped
T25 << 1462717780.30937505 Atomic (1140.88624s) stopped
T25 >> 1462717780.30959892 Communicate (236.83126s) started
T25 << 1462717781.95851803 Communicate (238.48018s) stopped
T25 << 1462717781.95854211 Hamiltonian (6864.31127s) stopped
T25 >> 1462717781.95863891 LCAO eigensolver (9670.06448s) started
T25 >> 1462717781.95865393 Potential matrix (328.64743s) started
T25 << 1462717784.26909995 Potential matrix (330.95787s) stopped
T25 >> 1462717784.26920104 DistributedAtomicCorrection (136.70456s) started
T25 << 1462717785.20022607 DistributedAtomicCorrection (137.63558s) stopped
T25 >> 1462717785.20027494 Distribute overlap matrix (732.14806s) started
T25 >> 1462717785.20032001 blocked summation (715.43303s) started
T25 << 1462717790.63876510 blocked summation (720.87148s) stopped
T25 >> 1462717790.64842010 Scalapack redistribute (15.39877s) started
T25 << 1462717790.77220106 Scalapack redistribute (15.52255s) stopped
T25 << 1462717790.77232003 Distribute overlap matrix (737.72010s) stopped
T25 >> 1462717790.77683997 Blacs Orbital Layouts (7794.71986s) started
T25 >> 1462717790.78522706 General diagonalize (7759.89853s) started
T25 << 1462717845.42794800 General diagonalize (7814.54125s) stopped
T25 >> 1462717845.42799807 Redistribute coefs (2.65495s) started
T25 << 1462717845.44418097 Redistribute coefs (2.67114s) stopped
T25 >> 1462717845.44422412 Send coefs to domains (30.94186s) started
T25 << 1462717845.75200701 Send coefs to domains (31.24964s) stopped
T25 << 1462717845.75249696 Blacs Orbital Layouts (7849.69552s) stopped
T25 >> 1462717845.75252795 Calculate projections (677.04243s) started
T25 << 1462717850.85980105 Calculate projections (682.14971s) stopped
T25 << 1462717850.86013007 LCAO eigensolver (9738.96597s) stopped
T25 >> 1462717852.27403593 Density (2154.54295s) started
T25 >> 1462717852.27405095 Pseudo density (1756.55066s) started
T25 >> 1462717852.27530408 Calculate density matrix (1544.50624s) started
T25 << 1462717865.04542494 Calculate density matrix (1557.27637s) stopped
T25 >> 1462717865.04548097 Construct density (207.34794s) started
T25 << 1462717866.58238697 Construct density (208.88484s) stopped
T25 >> 1462717866.78275704 Symmetrize density (0.00994s) started
T25 << 1462717866.78281403 Symmetrize density (0.01000s) stopped
T25 << 1462717866.78485799 Pseudo density (1771.06147s) stopped
T25 >> 1462717866.78491902 Atomic density matrices (330.42182s) started
T25 << 1462717869.29420710 Atomic density matrices (332.93111s) stopped
T25 >> 1462717869.29425311 Multipole moments (1.11253s) started
T25 << 1462717869.30470490 Multipole moments (1.12298s) stopped
T25 >> 1462717869.30476093 Normalize (1.03545s) started
T25 << 1462717869.31268311 Normalize (1.04337s) stopped
T25 >> 1462717869.31272793 Mix (65.40929s) started
T25 << 1462717869.75734591 Mix (65.85390s) stopped
T25 << 1462717869.75743103 Density (2172.02635s) stopped
T25 >> 1462717869.75760698 Hamiltonian (6864.31129s) started
T25 >> 1462717869.75762510 vbar (3.59462s) started
T25 << 1462717869.78541589 vbar (3.62241s) stopped
T25 >> 1462717869.78554606 XC 3D grid (4238.72533s) started
T25 >> 1462717870.28047609 van der Waals (4113.01839s) started
T25 >> 1462717870.41432190 semilocal (961.96033s) started
T25 << 1462717877.42931199 semilocal (968.97532s) stopped
T25 >> 1462717877.51660800 redistribute (716.82459s) started
T25 << 1462717878.51039910 redistribute (717.81838s) stopped
T25 >> 1462717878.51044202 libvdwxc nonlocal (2407.66290s) started
T25 << 1462717897.32092094 libvdwxc nonlocal (2426.47338s) stopped
T25 >> 1462717897.32113194 redistribute (717.81842s) started
T25 << 1462717899.30667710 redistribute (719.80396s) stopped
T25 << 1462717899.30873990 van der Waals (4142.04665s) stopped
T25 << 1462717899.78556609 XC 3D grid (4268.72535s) stopped
T25 >> 1462717899.78562307 Poisson (1186.92912s) started
T25 << 1462717914.05412197 Poisson (1201.19762s) stopped
T25 >> 1462717914.05425000 Hartree integrate/restrict (48.75907s) started
T25 << 1462717914.09308195 Hartree integrate/restrict (48.79790s) stopped
T25 >> 1462717914.09315801 Hartree integrate/restrict (48.79795s) started
T25 << 1462717914.44123697 Hartree integrate/restrict (49.14603s) stopped
T25 >> 1462717914.50649500 Atomic (1140.88626s) started
T25 >> 1462717914.52220511 XC Correction (864.81328s) started
T25 << 1462717923.37936592 XC Correction (873.67044s) stopped
T25 << 1462717924.49066806 Atomic (1150.87044s) stopped
T25 >> 1462717924.49091196 Communicate (238.48019s) started
T25 << 1462717927.22685194 Communicate (241.21613s) stopped
T25 << 1462717927.22687888 Hamiltonian (6921.78056s) stopped
T25 >> 1462717927.22699404 LCAO eigensolver (9738.96599s) started
T25 >> 1462717927.22701001 Potential matrix (330.95793s) started
T25 << 1462717929.52938604 Potential matrix (333.26031s) stopped
T25 >> 1462717929.52948499 DistributedAtomicCorrection (137.63562s) started
T25 << 1462717930.47164202 DistributedAtomicCorrection (138.57778s) stopped
T25 >> 1462717930.47169089 Distribute overlap matrix (737.72012s) started
T25 >> 1462717930.47173595 blocked summation (720.87151s) started
T25 << 1462717935.82565999 blocked summation (726.22543s) stopped
T25 >> 1462717935.83444095 Scalapack redistribute (15.52262s) started
T25 << 1462717935.97974992 Scalapack redistribute (15.66793s) stopped
T25 << 1462717935.97983694 Distribute overlap matrix (743.22826s) stopped
T25 >> 1462717935.98437905 Blacs Orbital Layouts (7849.69554s) started
T25 >> 1462717935.99302793 General diagonalize (7814.54130s) started
T25 << 1462717992.98896790 General diagonalize (7871.53724s) stopped
T25 >> 1462717992.98901606 Redistribute coefs (2.67117s) started
T25 << 1462717993.00540900 Redistribute coefs (2.68756s) stopped
T25 >> 1462717993.00547099 Send coefs to domains (31.24968s) started
T25 << 1462717993.11542010 Send coefs to domains (31.35962s) stopped
T25 << 1462717993.11595392 Blacs Orbital Layouts (7906.82711s) stopped
T25 >> 1462717993.11599302 Calculate projections (682.14977s) started
T25 << 1462717998.23524404 Calculate projections (687.26902s) stopped
T25 << 1462717998.23542190 LCAO eigensolver (9809.97442s) stopped
T25 >> 1462717999.52480602 Density (2172.02636s) started
T25 >> 1462717999.52482200 Pseudo density (1771.06152s) started
T25 >> 1462717999.52602696 Calculate density matrix (1557.27640s) started
T25 << 1462718012.30386806 Calculate density matrix (1570.05424s) stopped
T25 >> 1462718012.30393004 Construct density (208.88490s) started
T25 << 1462718013.84821391 Construct density (210.42918s) stopped
T25 >> 1462718013.99464011 Symmetrize density (0.01002s) started
T25 << 1462718013.99470091 Symmetrize density (0.01008s) stopped
T25 << 1462718013.99677110 Pseudo density (1785.53346s) stopped
T25 >> 1462718013.99681902 Atomic density matrices (332.93113s) started
T25 << 1462718016.55088806 Atomic density matrices (335.48520s) stopped
T25 >> 1462718016.55093408 Multipole moments (1.12300s) started
T25 << 1462718016.56052589 Multipole moments (1.13259s) stopped
T25 >> 1462718016.56058311 Normalize (1.04340s) started
T25 << 1462718016.56843090 Normalize (1.05125s) stopped
T25 >> 1462718016.56847405 Mix (65.85399s) started
T25 << 1462718017.04851294 Mix (66.33402s) stopped
T25 << 1462718017.04860592 Density (2189.55016s) stopped
T25 >> 1462718017.04878402 Hamiltonian (6921.78057s) started
T25 >> 1462718017.04880309 vbar (3.62248s) started
T25 << 1462718017.07713389 vbar (3.65081s) stopped
T25 >> 1462718017.07726598 XC 3D grid (4268.72540s) started
T25 >> 1462718017.57292199 van der Waals (4142.04675s) started
T25 >> 1462718017.70471191 semilocal (968.97540s) started
T25 << 1462718024.47997808 semilocal (975.75067s) stopped
T25 >> 1462718024.59717011 redistribute (719.80407s) started
T25 << 1462718025.79488397 redistribute (721.00179s) stopped
T25 >> 1462718025.79492688 libvdwxc nonlocal (2426.47343s) started
T25 << 1462718044.34369612 libvdwxc nonlocal (2445.02220s) stopped
T25 >> 1462718044.34376192 redistribute (721.00182s) started
T25 << 1462718046.30407691 redistribute (722.96214s) stopped
T25 << 1462718046.30637789 van der Waals (4170.78021s) stopped
T25 << 1462718046.79713202 XC 3D grid (4298.44526s) stopped
T25 >> 1462718046.79717302 Poisson (1201.19773s) started
T25 << 1462718062.33324194 Poisson (1216.73380s) stopped
T25 >> 1462718062.33332992 Hartree integrate/restrict (49.14608s) started
T25 << 1462718062.37613106 Hartree integrate/restrict (49.18888s) stopped
T25 >> 1462718062.37619209 Hartree integrate/restrict (49.18892s) started
T25 << 1462718062.70952797 Hartree integrate/restrict (49.52225s) stopped
T25 >> 1462718062.76968098 Atomic (1150.87046s) started
T25 >> 1462718062.78536701 XC Correction (873.67046s) started
T25 << 1462718071.67509389 XC Correction (882.56019s) stopped
T25 << 1462718072.50659490 Atomic (1160.60737s) stopped
T25 >> 1462718072.50682497 Communicate (241.21615s) started
T25 << 1462718075.26892805 Communicate (243.97825s) stopped
T25 << 1462718075.26895308 Hamiltonian (6980.00074s) stopped
T25 >> 1462718075.26905608 LCAO eigensolver (9809.97444s) started
T25 >> 1462718075.26907206 Potential matrix (333.26036s) started
T25 << 1462718077.56800294 Potential matrix (335.55929s) stopped
T25 >> 1462718077.56810403 DistributedAtomicCorrection (138.57782s) started
T25 << 1462718078.52806592 DistributedAtomicCorrection (139.53778s) stopped
T25 >> 1462718078.52811599 Distribute overlap matrix (743.22828s) started
T25 >> 1462718078.52816200 blocked summation (726.22546s) started
T25 << 1462718083.90584207 blocked summation (731.60314s) stopped
T25 >> 1462718083.91472006 Scalapack redistribute (15.66799s) started
T25 << 1462718084.02670288 Scalapack redistribute (15.77997s) stopped
T25 << 1462718084.02681708 Distribute overlap matrix (748.72698s) stopped
T25 >> 1462718084.03119206 Blacs Orbital Layouts (7906.82714s) started
T25 >> 1462718084.03935790 General diagonalize (7871.53728s) started
T25 << 1462718140.88916898 General diagonalize (7928.38709s) stopped
T25 >> 1462718140.88921809 Redistribute coefs (2.68761s) started
T25 << 1462718140.90612888 Redistribute coefs (2.70452s) stopped
T25 >> 1462718140.90617609 Send coefs to domains (31.35966s) started
T25 << 1462718141.00232911 Send coefs to domains (31.45582s) stopped
T25 << 1462718141.00283098 Blacs Orbital Layouts (7963.79878s) stopped
T25 >> 1462718141.00286198 Calculate projections (687.26907s) started
T25 << 1462718146.07311606 Calculate projections (692.33933s) stopped
T25 << 1462718146.07331991 LCAO eigensolver (9880.77870s) stopped
T25 >> 1462718147.48648310 Density (2189.55018s) started
T25 >> 1462718147.48649812 Pseudo density (1785.53350s) started
T25 >> 1462718147.48832297 Calculate density matrix (1570.05429s) started
T25 << 1462718160.19234896 Calculate density matrix (1582.75831s) stopped
T25 >> 1462718160.19240808 Construct density (210.42924s) started
T25 << 1462718161.74072194 Construct density (211.97755s) stopped
T25 >> 1462718161.93227601 Symmetrize density (0.01009s) started
T25 << 1462718161.93232393 Symmetrize density (0.01014s) stopped
T25 << 1462718161.93467307 Pseudo density (1799.98168s) stopped
T25 >> 1462718161.93471694 Atomic density matrices (335.48523s) started
T25 << 1462718164.44841409 Atomic density matrices (337.99892s) stopped
T25 >> 1462718164.44845891 Multipole moments (1.13261s) started
T25 << 1462718164.45848799 Multipole moments (1.14264s) stopped
T25 >> 1462718164.45854402 Normalize (1.05128s) started
T25 << 1462718164.47187090 Normalize (1.06461s) stopped
T25 >> 1462718164.47193193 Mix (66.33411s) started
T25 << 1462718165.01625896 Mix (66.87844s) stopped
T25 << 1462718165.01631808 Density (2207.08001s) stopped
T25 >> 1462718165.01644897 Hamiltonian (6980.00075s) started
T25 >> 1462718165.01646590 vbar (3.65088s) started
T25 << 1462718165.04524708 vbar (3.67966s) stopped
T25 >> 1462718165.04538798 XC 3D grid (4298.44529s) started
T25 >> 1462718165.54760289 van der Waals (4170.78028s) started
T25 >> 1462718165.67819095 semilocal (975.75077s) started
T25 << 1462718172.49884605 semilocal (982.57142s) stopped
T25 >> 1462718172.56468201 redistribute (722.96222s) started
T25 << 1462718174.04903698 redistribute (724.44657s) stopped
T25 >> 1462718174.04907990 libvdwxc nonlocal (2445.02225s) started
T25 << 1462718193.16773701 libvdwxc nonlocal (2464.14091s) stopped
T25 >> 1462718193.16777992 redistribute (724.44660s) started
T25 << 1462718194.76416707 redistribute (726.04299s) stopped
T25 << 1462718194.76628590 van der Waals (4199.99896s) stopped
T25 << 1462718195.26161790 XC 3D grid (4328.66152s) stopped
T25 >> 1462718195.26166105 Poisson (1216.73386s) started
T25 << 1462718202.56498003 Poisson (1224.03717s) stopped
T25 >> 1462718202.56504512 Hartree integrate/restrict (49.52232s) started
T25 << 1462718202.62107611 Hartree integrate/restrict (49.57835s) stopped
T25 >> 1462718202.62114096 Hartree integrate/restrict (49.57840s) started
T25 << 1462718202.94057298 Hartree integrate/restrict (49.89783s) stopped
T25 >> 1462718202.99849200 Atomic (1160.60739s) started
T25 >> 1462718203.01396489 XC Correction (882.56021s) started
T25 << 1462718211.90108299 XC Correction (891.44733s) stopped
T25 << 1462718212.73864698 Atomic (1170.34754s) stopped
T25 >> 1462718212.73887300 Communicate (243.97827s) started
T25 << 1462718215.07363892 Communicate (246.31304s) stopped
T25 << 1462718215.07366300 Hamiltonian (7030.05797s) stopped
T25 >> 1462718215.07375598 LCAO eigensolver (9880.77872s) started
T25 >> 1462718215.07377005 Potential matrix (335.55935s) started
T25 << 1462718217.37209511 Potential matrix (337.85767s) stopped
T25 >> 1462718217.37218499 DistributedAtomicCorrection (139.53783s) started
T25 << 1462718218.34722495 DistributedAtomicCorrection (140.51287s) stopped
T25 >> 1462718218.34726906 Distribute overlap matrix (748.72699s) started
T25 >> 1462718218.34731102 blocked summation (731.60318s) started
T25 << 1462718223.71400094 blocked summation (736.96987s) stopped
T25 >> 1462718223.72349000 Scalapack redistribute (15.78004s) started
T25 << 1462718223.82511806 Scalapack redistribute (15.88167s) stopped
T25 << 1462718223.82522607 Distribute overlap matrix (754.20495s) stopped
T25 >> 1462718223.83115005 Blacs Orbital Layouts (7963.79880s) started
T25 >> 1462718223.83958101 General diagonalize (7928.38713s) started
T25 << 1462718280.49635506 General diagonalize (7985.04390s) stopped
T25 >> 1462718280.49640703 Redistribute coefs (2.70456s) started
T25 << 1462718280.52310705 Redistribute coefs (2.73126s) stopped
T25 >> 1462718280.52315307 Send coefs to domains (31.45585s) started
T25 << 1462718280.66048002 Send coefs to domains (31.59318s) stopped
T25 << 1462718280.66090393 Blacs Orbital Layouts (8020.62855s) stopped
T25 >> 1462718280.66094208 Calculate projections (692.33938s) started
T25 << 1462718285.73045611 Calculate projections (697.40889s) stopped
T25 << 1462718285.73079109 LCAO eigensolver (9951.43576s) stopped
T25 >> 1462718287.23788095 Density (2207.08003s) started
T25 >> 1462718287.23789597 Pseudo density (1799.98171s) started
T25 >> 1462718287.23940396 Calculate density matrix (1582.75835s) started
T25 << 1462718300.02287602 Calculate density matrix (1595.54182s) stopped
T25 >> 1462718300.02293611 Construct density (211.97760s) started
T25 << 1462718301.57149196 Construct density (213.52616s) stopped
T25 >> 1462718301.78747797 Symmetrize density (0.01016s) started
T25 << 1462718301.78752804 Symmetrize density (0.01021s) stopped
T25 << 1462718301.78985596 Pseudo density (1814.53367s) stopped
T25 >> 1462718301.78991008 Atomic density matrices (337.99895s) started
T25 << 1462718304.24682808 Atomic density matrices (340.45587s) stopped
T25 >> 1462718304.24687409 Multipole moments (1.14265s) started
T25 << 1462718304.25671506 Multipole moments (1.15250s) stopped
T25 >> 1462718304.25676990 Normalize (1.06465s) started
T25 << 1462718304.26788211 Normalize (1.07576s) stopped
T25 >> 1462718304.26798892 Mix (66.87850s) started
T25 << 1462718304.80903912 Mix (67.41955s) stopped
T25 << 1462718304.80909300 Density (2224.65124s) stopped
T25 >> 1462718304.80925703 Hamiltonian (7030.05798s) started
T25 >> 1462718304.80927706 vbar (3.67974s) started
T25 << 1462718304.83736300 vbar (3.70783s) stopped
T25 >> 1462718304.83745193 XC 3D grid (4328.66156s) started
T25 >> 1462718305.30866504 van der Waals (4199.99907s) started
T25 >> 1462718305.44564390 semilocal (982.57153s) started
T25 << 1462718433.21482301 semilocal (1110.34071s) stopped
T25 >> 1462718433.27876806 redistribute (726.04309s) started
T25 << 1462718496.58269310 redistribute (789.34701s) stopped
T25 >> 1462718496.58274007 libvdwxc nonlocal (2464.14094s) started
T25 << 1462718515.62814689 libvdwxc nonlocal (2483.18635s) stopped
T25 >> 1462718515.62821388 redistribute (789.34705s) started
T25 << 1462718517.25474000 redistribute (790.97358s) stopped
T25 << 1462718517.25745702 van der Waals (4411.94786s) stopped
T25 << 1462718517.73504496 XC 3D grid (4541.55915s) stopped
T25 >> 1462718517.73508811 Poisson (1224.03722s) started
T25 << 1462718529.42122197 Poisson (1235.72336s) stopped
T25 >> 1462718529.42128801 Hartree integrate/restrict (49.89787s) started
T25 << 1462718529.48595810 Hartree integrate/restrict (49.96254s) stopped
T25 >> 1462718529.48600411 Hartree integrate/restrict (49.96257s) started
T25 << 1462718529.80464506 Hartree integrate/restrict (50.28121s) stopped
T25 >> 1462718529.89678407 Atomic (1170.34756s) started
T25 >> 1462718529.91232705 XC Correction (891.44735s) started
T25 << 1462718538.79922104 XC Correction (900.33424s) stopped
T25 << 1462718539.67733693 Atomic (1180.12812s) stopped
T25 >> 1462718539.67754698 Communicate (246.31305s) started
T25 << 1462718541.97398901 Communicate (248.60949s) stopped
T25 << 1462718541.97401404 Hamiltonian (7267.22274s) stopped
T25 >> 1462718541.97410703 LCAO eigensolver (9951.43578s) started
T25 >> 1462718541.97412205 Potential matrix (337.85773s) started
T25 << 1462718544.29387212 Potential matrix (340.17748s) stopped
T25 >> 1462718544.29396105 DistributedAtomicCorrection (140.51290s) started
T25 << 1462718545.24687409 DistributedAtomicCorrection (141.46582s) stopped
T25 >> 1462718545.24691892 Distribute overlap matrix (754.20496s) started
T25 >> 1462718545.24696207 blocked summation (736.96990s) started
T25 << 1462718550.53446007 blocked summation (742.25740s) stopped
T25 >> 1462718550.54392004 Scalapack redistribute (15.88173s) started
T25 << 1462718550.65401697 Scalapack redistribute (15.99183s) stopped
T25 << 1462718550.65411901 Distribute overlap matrix (759.61216s) stopped
T25 >> 1462718550.66003609 Blacs Orbital Layouts (8020.62857s) started
T25 >> 1462718550.66784310 General diagonalize (7985.04394s) started
T25 << 1462718606.97798109 General diagonalize (8041.35408s) stopped
T25 >> 1462718606.97802901 Redistribute coefs (2.73130s) started
T25 << 1462718606.99421191 Redistribute coefs (2.74748s) stopped
T25 >> 1462718606.99425602 Send coefs to domains (31.59322s) started
T25 << 1462718607.08426595 Send coefs to domains (31.68323s) stopped
T25 << 1462718607.08479595 Blacs Orbital Layouts (8077.05333s) stopped
T25 >> 1462718607.08482409 Calculate projections (697.40894s) started
T25 << 1462718612.15673399 Calculate projections (702.48085s) stopped
T25 << 1462718612.15708303 LCAO eigensolver (10021.61875s) stopped
T25 >> 1462718613.55792689 Density (2224.65126s) started
T25 >> 1462718613.55794311 Pseudo density (1814.53371s) started
T25 >> 1462718613.55949497 Calculate density matrix (1595.54186s) started
T25 << 1462718626.33579803 Calculate density matrix (1608.31817s) stopped
T25 >> 1462718626.33585501 Construct density (213.52621s) started
T25 << 1462718627.88603306 Construct density (215.07639s) stopped
T25 >> 1462718628.05373311 Symmetrize density (0.01022s) started
T25 << 1462718628.05378509 Symmetrize density (0.01027s) stopped
T25 << 1462718628.05612898 Pseudo density (1829.03190s) stopped
T25 >> 1462718628.05618310 Atomic density matrices (340.45589s) started
T25 << 1462718630.56227803 Atomic density matrices (342.96199s) stopped
T25 >> 1462718630.56232309 Multipole moments (1.15251s) started
T25 << 1462718630.57212591 Multipole moments (1.16232s) stopped
T25 >> 1462718630.57218099 Normalize (1.07585s) started
T25 << 1462718630.58469009 Normalize (1.08836s) stopped
T25 >> 1462718630.58476090 Mix (67.41960s) started
T25 << 1462718631.10950208 Mix (67.94434s) stopped
T25 << 1462718631.10959196 Density (2242.20292s) stopped
T25 >> 1462718631.10978699 Hamiltonian (7267.22275s) started
T25 >> 1462718631.10980606 vbar (3.70788s) started
T25 << 1462718631.13926411 vbar (3.73733s) stopped
T25 >> 1462718631.13941908 XC 3D grid (4541.55919s) started
T25 >> 1462718631.62723589 van der Waals (4411.94795s) started
T25 >> 1462718631.76553392 semilocal (1110.34078s) started
T25 << 1462718806.09927297 semilocal (1284.67452s) stopped
T25 >> 1462718806.16798091 redistribute (790.97369s) started
T25 << 1462718807.28568196 redistribute (792.09139s) stopped
T25 >> 1462718807.28572607 libvdwxc nonlocal (2483.18640s) started
T25 << 1462718826.39191699 libvdwxc nonlocal (2502.29259s) stopped
T25 >> 1462718826.39196801 redistribute (792.09142s) started
T25 << 1462718828.04506493 redistribute (793.74452s) stopped
T25 << 1462718828.04758096 van der Waals (4608.36829s) stopped
T25 << 1462718828.53888512 XC 3D grid (4738.95865s) stopped
T25 >> 1462718828.53893495 Poisson (1235.72341s) started
T25 << 1462718840.00247312 Poisson (1247.18695s) stopped
T25 >> 1462718840.00264311 Hartree integrate/restrict (50.28125s) started
T25 << 1462718840.05810690 Hartree integrate/restrict (50.33672s) stopped
T25 >> 1462718840.05818200 Hartree integrate/restrict (50.33676s) started
T25 << 1462718840.39404702 Hartree integrate/restrict (50.67263s) stopped
T25 >> 1462718840.45626497 Atomic (1180.12813s) started
T25 >> 1462718840.47227502 XC Correction (900.33427s) started
T25 << 1462718849.32641411 XC Correction (909.18841s) stopped
T25 << 1462718850.22332692 Atomic (1189.89520s) stopped
T25 >> 1462718850.22353601 Communicate (248.60951s) started
T25 << 1462718852.39410591 Communicate (250.78008s) stopped
T25 << 1462718852.39413095 Hamiltonian (7488.50709s) stopped
T25 >> 1462718852.39422107 LCAO eigensolver (10021.61877s) started
T25 >> 1462718852.39423609 Potential matrix (340.17753s) started
T25 << 1462718854.70365906 Potential matrix (342.48695s) stopped
T25 >> 1462718854.70375490 DistributedAtomicCorrection (141.46585s) started
T25 << 1462718855.67345309 DistributedAtomicCorrection (142.43555s) stopped
T25 >> 1462718855.67349696 Distribute overlap matrix (759.61218s) started
T25 >> 1462718855.67353892 blocked summation (742.25744s) started
T25 << 1462718861.06615591 blocked summation (747.65005s) stopped
T25 >> 1462718861.07553792 Scalapack redistribute (15.99189s) started
T25 << 1462718861.18411708 Scalapack redistribute (16.10047s) stopped
T25 << 1462718861.18420196 Distribute overlap matrix (765.12288s) stopped
T25 >> 1462718861.18919992 Blacs Orbital Layouts (8077.05335s) started
T25 >> 1462718861.19705009 General diagonalize (8041.35412s) started
T25 << 1462718918.64801693 General diagonalize (8098.80508s) stopped
T25 >> 1462718918.64806890 Redistribute coefs (2.74751s) started
T25 << 1462718918.66436005 Redistribute coefs (2.76380s) stopped
T25 >> 1462718918.66440296 Send coefs to domains (31.68327s) started
T25 << 1462718918.75384998 Send coefs to domains (31.77272s) stopped
T25 << 1462718918.75433707 Blacs Orbital Layouts (8134.61849s) stopped
T25 >> 1462718918.75436711 Calculate projections (702.48091s) started
T25 << 1462718923.82666612 Calculate projections (707.55320s) stopped
T25 << 1462718923.82700491 LCAO eigensolver (10093.05156s) stopped
T25 >> 1462718925.24907708 Density (2242.20294s) started
T25 >> 1462718925.24909210 Pseudo density (1829.03194s) started
T25 >> 1462718925.25092101 Calculate density matrix (1608.31820s) started
T25 << 1462718938.42327189 Calculate density matrix (1621.49055s) stopped
T25 >> 1462718938.42333007 Construct density (215.07644s) started
T25 << 1462718939.97183800 Construct density (216.62495s) stopped
T25 >> 1462718940.14253497 Symmetrize density (0.01029s) started
T25 << 1462718940.14258790 Symmetrize density (0.01034s) stopped
T25 << 1462718940.14492202 Pseudo density (1843.92777s) stopped
T25 >> 1462718940.14497709 Atomic density matrices (342.96201s) started
T25 << 1462718942.64992690 Atomic density matrices (345.46696s) stopped
T25 >> 1462718942.64997196 Multipole moments (1.16233s) started
T25 << 1462718942.65930009 Multipole moments (1.17166s) stopped
T25 >> 1462718942.65935493 Normalize (1.08841s) started
T25 << 1462718942.67314196 Normalize (1.10220s) stopped
T25 >> 1462718942.67324996 Mix (67.94443s) started
T25 << 1462718943.27213597 Mix (68.54331s) stopped
T25 << 1462718943.27224708 Density (2260.22611s) stopped
T25 >> 1462718943.27246094 Hamiltonian (7488.50711s) started
T25 >> 1462718943.27249002 vbar (3.73742s) started
T25 << 1462718943.29946303 vbar (3.76440s) stopped
T25 >> 1462718943.29955006 XC 3D grid (4738.95869s) started
T25 >> 1462718943.77972603 van der Waals (4608.36842s) started
T25 >> 1462718943.91551805 semilocal (1284.67463s) started
T25 << 1462718950.67282295 semilocal (1291.43194s) stopped
T25 >> 1462718950.75375891 redistribute (793.74465s) started
T25 << 1462718952.46064711 redistribute (795.45153s) stopped
T25 >> 1462718952.46069002 libvdwxc nonlocal (2502.29262s) started
T25 << 1462718971.90722990 libvdwxc nonlocal (2521.73916s) stopped
T25 >> 1462718971.90727091 redistribute (795.45157s) started
T25 << 1462718973.54620409 redistribute (797.09050s) stopped
T25 << 1462718973.54835391 van der Waals (4638.13705s) stopped
T25 << 1462718974.02876711 XC 3D grid (4769.68791s) stopped
T25 >> 1462718974.02882290 Poisson (1247.18709s) started
T25 << 1462718987.26119089 Poisson (1260.41946s) stopped
T25 >> 1462718987.26128197 Hartree integrate/restrict (50.67267s) started
T25 << 1462718987.32408094 Hartree integrate/restrict (50.73547s) stopped
T25 >> 1462718987.32417703 Hartree integrate/restrict (50.73553s) started
T25 << 1462718987.64204192 Hartree integrate/restrict (51.05340s) stopped
T25 >> 1462718987.70706797 Atomic (1189.89521s) started
T25 >> 1462718987.72274399 XC Correction (909.18843s) started
T25 << 1462718996.51365900 XC Correction (917.97934s) stopped
T25 << 1462718997.49009490 Atomic (1199.67824s) stopped
T25 >> 1462718997.49030495 Communicate (250.78009s) started
T25 << 1462718999.67491698 Communicate (252.96471s) stopped
T25 << 1462718999.67494106 Hamiltonian (7544.90959s) stopped
T25 >> 1462718999.67502809 LCAO eigensolver (10093.05157s) started
T25 >> 1462718999.67504311 Potential matrix (342.48701s) started
T25 << 1462719001.98857307 Potential matrix (344.80054s) stopped
T25 >> 1462719001.98866105 DistributedAtomicCorrection (142.43559s) started
T25 << 1462719002.97543597 DistributedAtomicCorrection (143.42236s) stopped
T25 >> 1462719002.97547889 Distribute overlap matrix (765.12289s) started
T25 >> 1462719002.97552395 blocked summation (747.65009s) started
T25 << 1462719008.24841595 blocked summation (752.92298s) stopped
T25 >> 1462719008.25800490 Scalapack redistribute (16.10053s) started
T25 << 1462719008.37727904 Scalapack redistribute (16.21980s) stopped
T25 << 1462719008.37738204 Distribute overlap matrix (770.52480s) stopped
T25 >> 1462719008.38273811 Blacs Orbital Layouts (8134.61850s) started
T25 >> 1462719008.39157796 General diagonalize (8098.80513s) started
T25 << 1462719066.05642509 General diagonalize (8156.46998s) stopped
T25 >> 1462719066.05647206 Redistribute coefs (2.76384s) started
T25 << 1462719066.08026409 Redistribute coefs (2.78763s) stopped
T25 >> 1462719066.08030295 Send coefs to domains (31.77276s) started
T25 << 1462719066.17268300 Send coefs to domains (31.86514s) stopped
T25 << 1462719066.17319107 Blacs Orbital Layouts (8192.40896s) stopped
T25 >> 1462719066.17322206 Calculate projections (707.55325s) started
T25 << 1462719071.25205588 Calculate projections (712.63209s) stopped
T25 << 1462719071.25239706 LCAO eigensolver (10164.62894s) stopped
T25 >> 1462719072.65527797 Density (2260.22613s) started
T25 >> 1462719072.65529299 Pseudo density (1843.92782s) started
T25 >> 1462719072.65683889 Calculate density matrix (1621.49060s) started
T25 << 1462719085.40175104 Calculate density matrix (1634.23551s) stopped
T25 >> 1462719085.40180898 Construct density (216.62500s) started
T25 << 1462719086.95801592 Construct density (218.18121s) stopped
T25 >> 1462719087.10568905 Symmetrize density (0.01036s) started
T25 << 1462719087.10574007 Symmetrize density (0.01041s) stopped
T25 << 1462719087.10808611 Pseudo density (1858.38061s) stopped
T25 >> 1462719087.10813999 Atomic density matrices (345.46699s) started
T25 << 1462719089.61970496 Atomic density matrices (347.97855s) stopped
T25 >> 1462719089.61975098 Multipole moments (1.17168s) started
T25 << 1462719089.62894893 Multipole moments (1.18088s) stopped
T25 >> 1462719089.62900496 Normalize (1.10228s) started
T25 << 1462719089.64043093 Normalize (1.11371s) stopped
T25 >> 1462719089.64054108 Mix (68.54342s) started
T25 << 1462719090.16218901 Mix (69.06507s) stopped
T25 << 1462719090.16229510 Density (2277.73314s) stopped
T25 >> 1462719090.16247201 Hamiltonian (7544.90960s) started
T25 >> 1462719090.16249299 vbar (3.76444s) started
T25 << 1462719090.19817495 vbar (3.80013s) stopped
T25 >> 1462719090.19829798 XC 3D grid (4769.68796s) started
T25 >> 1462719090.69240689 van der Waals (4638.13713s) started
T25 >> 1462719090.82464004 semilocal (1291.43205s) started
T25 << 1462719229.91299295 semilocal (1430.52040s) stopped
T25 >> 1462719230.00239205 redistribute (797.09059s) started
T25 << 1462719231.15059590 redistribute (798.23879s) stopped
T25 >> 1462719231.15064192 libvdwxc nonlocal (2521.73920s) started
T25 << 1462719250.24918389 libvdwxc nonlocal (2540.83774s) stopped
T25 >> 1462719250.24925494 redistribute (798.23883s) started
T25 << 1462719251.98417592 redistribute (799.97375s) stopped
T25 << 1462719251.98641992 van der Waals (4799.43115s) stopped
T25 << 1462719252.47076797 XC 3D grid (4931.96043s) stopped
T25 >> 1462719252.47082996 Poisson (1260.41953s) started
T25 << 1462719261.10137391 Poisson (1269.05008s) stopped
T25 >> 1462719261.10149407 Hartree integrate/restrict (51.05344s) started
T25 << 1462719261.15625000 Hartree integrate/restrict (51.10820s) stopped
T25 >> 1462719261.15635204 Hartree integrate/restrict (51.10827s) started
T25 << 1462719261.49583793 Hartree integrate/restrict (51.44776s) stopped
T25 >> 1462719261.56710291 Atomic (1199.67826s) started
T25 >> 1462719261.58281898 XC Correction (917.97936s) started
T25 << 1462719270.41216612 XC Correction (926.80871s) stopped
T25 << 1462719271.32953000 Atomic (1209.44069s) stopped
T25 >> 1462719271.32975292 Communicate (252.96472s) started
T25 << 1462719273.51238799 Communicate (255.14736s) stopped
T25 << 1462719273.51241589 Hamiltonian (7728.25955s) stopped
T25 >> 1462719273.51251793 LCAO eigensolver (10164.62896s) started
T25 >> 1462719273.51253295 Potential matrix (344.80059s) started
T25 << 1462719275.81051993 Potential matrix (347.09858s) stopped
T25 >> 1462719275.81061196 DistributedAtomicCorrection (143.42240s) started
T25 << 1462719276.80455399 DistributedAtomicCorrection (144.41634s) stopped
T25 >> 1462719276.80459905 Distribute overlap matrix (770.52481s) started
T25 >> 1462719276.80464196 blocked summation (752.92301s) started
T25 << 1462719282.10912609 blocked summation (758.22750s) stopped
T25 >> 1462719282.11888599 Scalapack redistribute (16.21986s) started
T25 << 1462719282.21720505 Scalapack redistribute (16.31818s) stopped
T25 << 1462719282.21730494 Distribute overlap matrix (775.93752s) stopped
T25 >> 1462719282.22282600 Blacs Orbital Layouts (8192.40898s) started
T25 >> 1462719282.23093891 General diagonalize (8156.47002s) started
T25 << 1462719341.19831109 General diagonalize (8215.43739s) stopped
T25 >> 1462719341.19835711 Redistribute coefs (2.78766s) started
T25 << 1462719341.21679592 Redistribute coefs (2.80610s) stopped
T25 >> 1462719341.21685600 Send coefs to domains (31.86518s) started
T25 << 1462719341.33999610 Send coefs to domains (31.98832s) stopped
T25 << 1462719341.34067106 Blacs Orbital Layouts (8251.52682s) stopped
T25 >> 1462719341.34069896 Calculate projections (712.63214s) started
T25 << 1462719346.44628096 Calculate projections (717.73772s) stopped
T25 << 1462719346.44669509 LCAO eigensolver (10237.56314s) stopped
T25 >> 1462719348.12068391 Density (2277.73316s) started
T25 >> 1462719348.12069893 Pseudo density (1858.38065s) started
T25 >> 1462719348.12203193 Calculate density matrix (1634.23555s) started
T25 << 1462719360.89731908 Calculate density matrix (1647.01083s) stopped
T25 >> 1462719360.89737201 Construct density (218.18125s) started
T25 << 1462719362.43706703 Construct density (219.72094s) stopped
T25 >> 1462719362.64281201 Symmetrize density (0.01042s) started
T25 << 1462719362.64285493 Symmetrize density (0.01047s) stopped
T25 << 1462719362.64484096 Pseudo density (1872.90479s) stopped
T25 >> 1462719362.64488602 Atomic density matrices (347.97858s) started
T25 << 1462719365.13435507 Atomic density matrices (350.46805s) stopped
T25 >> 1462719365.13440108 Multipole moments (1.18090s) started
T25 << 1462719365.14424801 Multipole moments (1.19074s) stopped
T25 >> 1462719365.14430189 Normalize (1.11379s) started
T25 << 1462719365.15200710 Normalize (1.12150s) stopped
T25 >> 1462719365.15209293 Mix (69.06517s) started
T25 << 1462719365.69987988 Mix (69.61296s) stopped
T25 << 1462719365.69997907 Density (2295.31245s) stopped
T25 >> 1462719365.70016098 Hamiltonian (7728.25956s) started
T25 >> 1462719365.70018101 vbar (3.80020s) started
T25 << 1462719365.72705793 vbar (3.82707s) stopped
T25 >> 1462719365.72719908 XC 3D grid (4931.96048s) started
T25 >> 1462719366.21651506 van der Waals (4799.43122s) started
T25 >> 1462719366.34997797 semilocal (1430.52057s) started
T25 << 1462719372.91443706 semilocal (1437.08503s) stopped
T25 >> 1462719373.00543904 redistribute (799.97387s) started
T25 << 1462719374.54136300 redistribute (801.50979s) stopped
T25 >> 1462719374.54140496 libvdwxc nonlocal (2540.83779s) started
T25 << 1462719393.25227594 libvdwxc nonlocal (2559.54866s) stopped
T25 >> 1462719393.25233102 redistribute (801.50982s) started
T25 << 1462719395.10693097 redistribute (803.36442s) stopped
T25 << 1462719395.10912895 van der Waals (4828.32384s) stopped
T25 << 1462719395.59768295 XC 3D grid (4961.83096s) stopped
T25 >> 1462719395.59772301 Poisson (1269.05017s) started
T25 << 1462719401.31116891 Poisson (1274.76362s) stopped
T25 >> 1462719401.31126690 Hartree integrate/restrict (51.44782s) started
T25 << 1462719401.35429096 Hartree integrate/restrict (51.49085s) stopped
T25 >> 1462719401.35435700 Hartree integrate/restrict (51.49089s) started
T25 << 1462719401.70552993 Hartree integrate/restrict (51.84206s) stopped
T25 >> 1462719401.76125002 Atomic (1209.44071s) started
T25 >> 1462719401.77707601 XC Correction (926.80873s) started
T25 << 1462719410.59625101 XC Correction (935.62791s) stopped
T25 << 1462719411.56819391 Atomic (1219.24765s) stopped
T25 >> 1462719411.56841493 Communicate (255.14738s) started
T25 << 1462719413.72841001 Communicate (257.30737s) stopped
T25 << 1462719413.72843409 Hamiltonian (7776.28783s) stopped
T25 >> 1462719413.72852707 LCAO eigensolver (10237.56316s) started
T25 >> 1462719413.72854209 Potential matrix (347.09863s) started
T25 << 1462719416.02742290 Potential matrix (349.39751s) stopped
T25 >> 1462719416.02752209 DistributedAtomicCorrection (144.41637s) started
T25 << 1462719416.97536898 DistributedAtomicCorrection (145.36422s) stopped
T25 >> 1462719416.97541809 Distribute overlap matrix (775.93753s) started
T25 >> 1462719416.97546411 blocked summation (758.22753s) started
T25 << 1462719422.35086203 blocked summation (763.60293s) stopped
T25 >> 1462719422.36055493 Scalapack redistribute (16.31824s) started
T25 << 1462719422.47554994 Scalapack redistribute (16.43323s) stopped
T25 << 1462719422.47564793 Distribute overlap matrix (781.43776s) stopped
T25 >> 1462719422.48086095 Blacs Orbital Layouts (8251.52684s) started
T25 >> 1462719422.48972106 General diagonalize (8215.43743s) started
T25 << 1462719480.53398490 General diagonalize (8273.48169s) stopped
T25 >> 1462719480.53403091 Redistribute coefs (2.80615s) started
T25 << 1462719480.54998899 Redistribute coefs (2.82210s) stopped
T25 >> 1462719480.55003691 Send coefs to domains (31.98836s) started
T25 << 1462719480.69713712 Send coefs to domains (32.13546s) stopped
T25 << 1462719480.69756794 Blacs Orbital Layouts (8309.74355s) stopped
T25 >> 1462719480.69759989 Calculate projections (717.73778s) started
T25 << 1462719485.78735089 Calculate projections (722.82753s) stopped
T25 << 1462719485.78766608 LCAO eigensolver (10309.62230s) stopped
T25 >> 1462719487.78878593 Density (2295.31247s) started
T25 >> 1462719487.78879905 Pseudo density (1872.90483s) started
T25 >> 1462719487.78996897 Calculate density matrix (1647.01087s) started
T25 << 1462719500.59402800 Calculate density matrix (1659.81493s) stopped
T25 >> 1462719500.59408092 Construct density (219.72100s) started
T25 << 1462719502.13009691 Construct density (221.25701s) stopped
T25 >> 1462719502.29587293 Symmetrize density (0.01048s) started
T25 << 1462719502.29593110 Symmetrize density (0.01054s) stopped
T25 << 1462719502.29797602 Pseudo density (1887.41401s) stopped
T25 >> 1462719502.29804301 Atomic density matrices (350.46807s) started
T25 << 1462719504.86780691 Atomic density matrices (353.03784s) stopped
T25 >> 1462719504.86784506 Multipole moments (1.19076s) started
T25 << 1462719504.87798810 Multipole moments (1.20090s) stopped
T25 >> 1462719504.87804794 Normalize (1.12156s) started
T25 << 1462719504.88592696 Normalize (1.12944s) stopped
T25 >> 1462719504.88600707 Mix (69.61305s) started
T25 << 1462719505.41341805 Mix (70.14046s) stopped
T25 << 1462719505.41348791 Density (2312.93717s) stopped
T25 >> 1462719505.41367102 Hamiltonian (7776.28785s) started
T25 >> 1462719505.41369104 vbar (3.82715s) started
T25 << 1462719505.44000292 vbar (3.85346s) stopped
T25 >> 1462719505.44013095 XC 3D grid (4961.83099s) started
T25 >> 1462719505.92769599 van der Waals (4828.32393s) started
T25 >> 1462719506.05848789 semilocal (1437.08511s) started
T25 << 1462719512.59960103 semilocal (1443.62622s) stopped
T25 >> 1462719512.68898702 redistribute (803.36456s) started
T25 << 1462719548.40951896 redistribute (839.08509s) stopped
T25 >> 1462719548.40955997 libvdwxc nonlocal (2559.54870s) started
T25 << 1462719567.00669503 libvdwxc nonlocal (2578.14584s) stopped
T25 >> 1462719567.00673795 redistribute (839.08512s) started
T25 << 1462719568.83469009 redistribute (840.91307s) stopped
T25 << 1462719568.83734894 van der Waals (4891.23358s) stopped
T25 << 1462719569.32955289 XC 3D grid (5025.72041s) stopped
T25 >> 1462719569.32961106 Poisson (1274.76369s) started
T25 << 1462719573.67725492 Poisson (1279.11133s) stopped
T25 >> 1462719573.67736197 Hartree integrate/restrict (51.84210s) started
T25 << 1462719573.72604108 Hartree integrate/restrict (51.89078s) stopped
T25 >> 1462719573.72614288 Hartree integrate/restrict (51.89085s) started
T25 << 1462719574.05739403 Hartree integrate/restrict (52.22210s) stopped
T25 >> 1462719574.11726499 Atomic (1219.24767s) started
T25 >> 1462719574.13305998 XC Correction (935.62793s) started
T25 << 1462719582.60601902 XC Correction (944.10089s) stopped
T25 << 1462719583.92166090 Atomic (1229.05206s) stopped
T25 >> 1462719583.92193007 Communicate (257.30739s) started
T25 << 1462719586.10376501 Communicate (259.48922s) stopped
T25 << 1462719586.10379291 Hamiltonian (7856.97797s) stopped
T25 >> 1462719586.10390401 LCAO eigensolver (10309.62231s) started
T25 >> 1462719586.10391998 Potential matrix (349.39757s) started
T25 << 1462719588.41312289 Potential matrix (351.70677s) stopped
T25 >> 1462719588.41321492 DistributedAtomicCorrection (145.36426s) started
T25 << 1462719589.40100002 DistributedAtomicCorrection (146.35205s) stopped
T25 >> 1462719589.40105009 Distribute overlap matrix (781.43778s) started
T25 >> 1462719589.40112495 blocked summation (763.60296s) started
T25 << 1462719594.73385811 blocked summation (768.93569s) stopped
T25 >> 1462719594.74319005 Scalapack redistribute (16.43329s) started
T25 << 1462719594.83826995 Scalapack redistribute (16.52837s) stopped
T25 << 1462719594.83835602 Distribute overlap matrix (786.87508s) stopped
T25 >> 1462719594.84314299 Blacs Orbital Layouts (8309.74357s) started
T25 >> 1462719594.85111904 General diagonalize (8273.48173s) started
T25 << 1462719649.27640796 General diagonalize (8327.90702s) stopped
T25 >> 1462719649.27645802 Redistribute coefs (2.82214s) started
T25 << 1462719649.29429412 Redistribute coefs (2.83998s) stopped
T25 >> 1462719649.29433703 Send coefs to domains (32.13549s) started
T25 << 1462719649.38446498 Send coefs to domains (32.22562s) stopped
T25 << 1462719649.38500190 Blacs Orbital Layouts (8364.28543s) stopped
T25 >> 1462719649.38503098 Calculate projections (722.82759s) started
T25 << 1462719654.46798491 Calculate projections (727.91054s) stopped
T25 << 1462719654.46832800 LCAO eigensolver (10377.98674s) stopped
T25 >> 1462719655.81127405 Density (2312.93719s) started
T25 >> 1462719655.81128812 Pseudo density (1887.41406s) started
T25 >> 1462719655.81323791 Calculate density matrix (1659.81496s) started
T25 << 1462719668.64874411 Calculate density matrix (1672.65047s) stopped
T25 >> 1462719668.64880109 Construct density (221.25707s) started
T25 << 1462719670.20424294 Construct density (222.81251s) stopped
T25 >> 1462719670.32447910 Symmetrize density (0.01056s) started
T25 << 1462719670.32452393 Symmetrize density (0.01060s) stopped
T25 << 1462719670.32691097 Pseudo density (1901.92969s) stopped
T25 >> 1462719670.32695508 Atomic density matrices (353.03786s) started
T25 << 1462719672.91563606 Atomic density matrices (355.62654s) stopped
T25 >> 1462719672.91568208 Multipole moments (1.20092s) started
T25 << 1462719672.92549109 Multipole moments (1.21073s) stopped
T25 >> 1462719672.92554688 Normalize (1.12951s) started
T25 << 1462719672.93590498 Normalize (1.13987s) stopped
T25 >> 1462719672.93602204 Mix (70.14053s) started
T25 << 1462719673.49791002 Mix (70.70242s) stopped
T25 << 1462719673.49796891 Density (2330.62388s) stopped
T25 >> 1462719673.49810195 Hamiltonian (7856.97798s) started
T25 >> 1462719673.49811912 vbar (3.85353s) started
T25 << 1462719673.51839209 vbar (3.87380s) stopped
T25 >> 1462719673.51849699 XC 3D grid (5025.72046s) started
T25 >> 1462719674.00725293 van der Waals (4891.23369s) started
T25 >> 1462719674.13885808 semilocal (1443.62638s) started
T25 << 1462719680.70019698 semilocal (1450.18772s) stopped
T25 >> 1462719680.76656795 redistribute (840.91318s) started
T25 << 1462719682.00906301 redistribute (842.15568s) stopped
T25 >> 1462719682.00910807 libvdwxc nonlocal (2578.14587s) started
T25 << 1462719701.40738606 libvdwxc nonlocal (2597.54415s) stopped
T25 >> 1462719701.40744495 redistribute (842.15571s) started
T25 << 1462719703.25282598 redistribute (844.00109s) stopped
T25 << 1462719703.25508308 van der Waals (4920.48152s) stopped
T25 << 1462719703.73419809 XC 3D grid (5055.93616s) stopped
T25 >> 1462719703.73423910 Poisson (1279.11142s) started
T25 << 1462719708.17157412 Poisson (1283.54875s) stopped
T25 >> 1462719708.17166996 Hartree integrate/restrict (52.22215s) started
T25 << 1462719708.22063494 Hartree integrate/restrict (52.27112s) stopped
T25 >> 1462719708.22067904 Hartree integrate/restrict (52.27115s) started
T25 << 1462719708.56072402 Hartree integrate/restrict (52.61119s) stopped
T25 >> 1462719708.62057304 Atomic (1229.05209s) started
T25 >> 1462719708.63643503 XC Correction (944.10091s) started
T25 << 1462719717.10989308 XC Correction (952.57437s) stopped
T25 << 1462719718.43245697 Atomic (1238.86397s) stopped
T25 >> 1462719718.43271995 Communicate (259.48924s) started
T25 << 1462719720.55752993 Communicate (261.61405s) stopped
T25 << 1462719720.55755806 Hamiltonian (7904.03744s) stopped
T25 >> 1462719720.55766892 LCAO eigensolver (10377.98676s) started
T25 >> 1462719720.55768394 Potential matrix (351.70683s) started
T25 << 1462719722.87119007 Potential matrix (354.02033s) stopped
T25 >> 1462719722.87127995 DistributedAtomicCorrection (146.35208s) started
T25 << 1462719723.84100103 DistributedAtomicCorrection (147.32180s) stopped
T25 >> 1462719723.84104991 Distribute overlap matrix (786.87510s) started
T25 >> 1462719723.84109497 blocked summation (768.93573s) started
T25 << 1462719729.18097711 blocked summation (774.27561s) stopped
T25 >> 1462719729.19014502 Scalapack redistribute (16.52843s) started
T25 << 1462719729.30717897 Scalapack redistribute (16.64546s) stopped
T25 << 1462719729.30727696 Distribute overlap matrix (792.34132s) stopped
T25 >> 1462719729.31211400 Blacs Orbital Layouts (8364.28545s) started
T25 >> 1462719729.32018590 General diagonalize (8327.90706s) started
T25 << 1462719785.18160796 General diagonalize (8383.76848s) stopped
T25 >> 1462719785.18165708 Redistribute coefs (2.84001s) started
T25 << 1462719785.19940090 Redistribute coefs (2.85775s) stopped
T25 >> 1462719785.19944406 Send coefs to domains (32.22566s) started
T25 << 1462719785.28917193 Send coefs to domains (32.31539s) stopped
T25 << 1462719785.28972411 Blacs Orbital Layouts (8420.26306s) stopped
T25 >> 1462719785.28975201 Calculate projections (727.91060s) started
T25 << 1462719790.37074590 Calculate projections (732.99159s) stopped
T25 << 1462719790.37093306 LCAO eigensolver (10447.80002s) stopped
T25 << 1462719791.71563101 SCF-cycle (20879.32271s) stopped
T25 >> 1462719794.61411190 Force calculation (1036.50724s) started
T25 >> 1462719794.61419296 LCAO forces (930.33094s) started
T25 >> 1462719794.61455798 Initial (0.00026s) started
T25 << 1462719794.61456800 Initial (0.00027s) stopped
T25 >> 1462719794.64307189 Get density matrix (433.46415s) started
T25 << 1462719803.92887998 Get density matrix (442.74996s) stopped
T25 >> 1462719803.92892408 Potential (149.58895s) started
T25 << 1462719815.75262499 Potential (161.41265s) stopped
T25 >> 1462719815.75267696 Get density matrix (442.74999s) started
T25 << 1462719842.93906999 Get density matrix (469.93639s) stopped
T25 >> 1462719842.93913198 Prepare TCI loop (29.10271s) started
T25 >> 1462719842.93967295 Get neighbors (26.23759s) started
T25 << 1462719845.12639594 Get neighbors (28.42431s) stopped
T25 >> 1462719845.12672591 broadcast dH (2.85155s) started
T25 << 1462719845.41788197 broadcast dH (3.14271s) stopped
T25 << 1462719845.41792607 Prepare TCI loop (31.58150s) stopped
T25 >> 1462719845.41794491 Not so complicated loop (124.28003s) started
T25 << 1462719855.87267804 Not so complicated loop (134.73477s) stopped
T25 >> 1462719855.98887300 Complicated loop (192.39099s) started
T25 << 1462719872.31836390 Complicated loop (208.72048s) stopped
T25 >> 1462719872.32247090 Wait for sum (0.00123s) started
T25 << 1462719872.32256198 Wait for sum (0.00132s) stopped
T25 << 1462719872.32257700 LCAO forces (1008.03932s) stopped
T25 << 1462719881.32290697 Force calculation (1123.21604s) stopped
T25 >> 1462719881.34052300 Initialization (1542.36281s) started
T25 << 1462719881.34072208 Initialization (1542.36301s) stopped
T25 >> 1462719881.34097505 Initialization (1542.36303s) started
T25 << 1462719881.34112597 Initialization (1542.36318s) stopped
T25 >> 1462719881.34127092 Initialization (1542.36319s) started
T25 << 1462719881.34141397 Initialization (1542.36334s) stopped
T25 >> 1462719904.67606306 Initialization (1542.36335s) started
T25 >> 1462719904.87687492 Basic WFS set positions (1.58168s) started
T25 >> 1462719904.87689805 Redistribute (0.24627s) started
T25 << 1462719904.89757991 Redistribute (0.26695s) stopped
T25 << 1462719905.01517797 Basic WFS set positions (1.71999s) stopped
T25 >> 1462719905.01520610 Basis functions set positions (24.25688s) started
T25 << 1462719907.14449692 Basis functions set positions (26.38617s) stopped
T25 >> 1462719907.14632893 TCI: Calculate S, T, P (304.91563s) started
T25 << 1462719931.67420292 TCI: Calculate S, T, P (329.44350s) stopped
T25 >> 1462719931.67429805 blocked summation (239.26237s) started
T25 << 1462719956.64032888 blocked summation (264.22841s) stopped
T25 >> 1462719956.65305591 Scalapack redistribute (3.52082s) started
T25 << 1462719956.79071307 Scalapack redistribute (3.65848s) stopped
T25 >> 1462719956.79171205 blocked summation (264.22845s) started
T25 << 1462719958.07686710 blocked summation (265.51360s) stopped
T25 >> 1462719958.08628392 Scalapack redistribute (3.65854s) started
T25 << 1462719958.17862391 Scalapack redistribute (3.75088s) stopped
T25 >> 1462719958.18092704 Redistribute (0.75179s) started
T25 << 1462719958.18223810 Redistribute (0.75310s) stopped
T25 >> 1462719960.21040297 Redistribute (0.75312s) started
T25 << 1462719960.21177006 Redistribute (0.75449s) stopped
T25 >> 1462719960.23728299 LCAO WFS Initialize (933.49264s) started
T25 >> 1462719960.23731589 Density initialize from wavefunctions (177.07940s) started
T25 >> 1462719960.24038005 Calculate density matrix (120.98079s) started
T25 << 1462719970.24503398 Calculate density matrix (130.98544s) stopped
T25 >> 1462719970.24509406 Construct density (19.61221s) started
T25 << 1462719971.86280107 Construct density (21.22992s) stopped
T25 >> 1462719971.87691307 Symmetrize density (0.00095s) started
T25 << 1462719971.87696910 Symmetrize density (0.00100s) stopped
T25 << 1462719974.98167205 Density initialize from wavefunctions (191.82376s) stopped
T25 >> 1462719974.98215103 Hamiltonian (755.38866s) started
T25 >> 1462719974.98217201 vbar (0.32095s) started
T25 << 1462719975.00698996 vbar (0.34577s) stopped
T25 >> 1462719975.00712991 XC 3D grid (385.35123s) started
T25 >> 1462719975.53956890 van der Waals (372.49027s) started
T25 >> 1462719975.67451191 semilocal (83.78551s) started
T25 << 1462719982.08690691 semilocal (90.19790s) stopped
T25 >> 1462719982.14950895 redistribute (38.60525s) started
T25 << 1462719983.76270509 redistribute (40.21844s) stopped
T25 >> 1462719983.76278305 libvdwxc nonlocal (247.46158s) started
T25 << 1462720002.41089892 libvdwxc nonlocal (266.10969s) stopped
T25 >> 1462720002.41096997 redistribute (40.21848s) started
T25 << 1462720004.07065606 redistribute (41.87817s) stopped
T25 << 1462720004.07186389 van der Waals (401.02256s) stopped
T25 << 1462720004.57659411 XC 3D grid (414.92069s) stopped
T25 >> 1462720004.57663894 Poisson (209.86074s) started
T25 << 1462720026.14352703 Poisson (231.42763s) stopped
T25 >> 1462720026.14360404 Hartree integrate/restrict (5.05430s) started
T25 << 1462720026.18586206 Hartree integrate/restrict (5.09656s) stopped
T25 >> 1462720026.18593788 Hartree integrate/restrict (5.09660s) started
T25 << 1462720026.51935005 Hartree integrate/restrict (5.43002s) stopped
T25 >> 1462720026.57746506 Atomic (135.46712s) started
T25 >> 1462720026.59349895 XC Correction (100.20203s) started
T25 << 1462720035.73491502 XC Correction (109.34344s) stopped
T25 << 1462720038.37978697 Atomic (147.26944s) stopped
T25 >> 1462720038.38016009 Communicate (18.52596s) started
T25 << 1462720038.85063791 Communicate (18.99644s) stopped
T25 << 1462720038.85066390 Hamiltonian (819.25717s) stopped
T25 << 1462720038.85072303 LCAO WFS Initialize (1012.10608s) stopped
T25 << 1462720038.86288595 Initialization (1676.55018s) stopped
T25 >> 1462720038.89119697 SCF-cycle (20879.32273s) started
T25 >> 1462720038.89124203 LCAO eigensolver (10447.80004s) started
T25 >> 1462720038.89125395 Potential matrix (354.02039s) started
T25 << 1462720041.24549794 Potential matrix (356.37463s) stopped
T25 >> 1462720041.24558902 DistributedAtomicCorrection (147.32184s) started
T25 << 1462720042.27849793 DistributedAtomicCorrection (148.35475s) stopped
T25 >> 1462720042.27854300 Distribute overlap matrix (792.34134s) started
T25 >> 1462720042.27857995 blocked summation (774.27565s) started
T25 << 1462720047.95782399 blocked summation (779.95489s) stopped
T25 >> 1462720047.96696401 Scalapack redistribute (16.64552s) started
T25 << 1462720048.07225490 Scalapack redistribute (16.75081s) stopped
T25 << 1462720048.07233906 Distribute overlap matrix (798.13513s) stopped
T25 >> 1462720048.07698894 Blacs Orbital Layouts (8420.26307s) started
T25 >> 1462720048.08472800 General diagonalize (8383.76852s) started
T25 << 1462720108.25106311 General diagonalize (8443.93485s) stopped
T25 >> 1462720108.25114012 Redistribute coefs (2.85779s) started
T25 << 1462720108.26798892 Redistribute coefs (2.87464s) stopped
T25 >> 1462720108.26803088 Send coefs to domains (32.31542s) started
T25 << 1462720108.36015010 Send coefs to domains (32.40754s) stopped
T25 << 1462720108.36088300 Blacs Orbital Layouts (8480.54697s) stopped
T25 >> 1462720108.36091399 Calculate projections (732.99165s) started
T25 << 1462720113.32716608 Calculate projections (737.95790s) stopped
T25 << 1462720113.32759690 LCAO eigensolver (10522.23640s) stopped
T25 >> 1462720114.43049788 Density (2330.62390s) started
T25 >> 1462720114.43051195 Pseudo density (1901.92972s) started
T25 >> 1462720114.43313909 Calculate density matrix (1672.65051s) started
T25 << 1462720127.23234606 Calculate density matrix (1685.44971s) stopped
T25 >> 1462720127.23239803 Construct density (222.81256s) started
T25 << 1462720128.84146905 Construct density (224.42163s) stopped
T25 >> 1462720128.85658407 Symmetrize density (0.01062s) started
T25 << 1462720128.85665107 Symmetrize density (0.01069s) stopped
T25 << 1462720128.85901403 Pseudo density (1916.35822s) stopped
T25 >> 1462720128.85907602 Atomic density matrices (355.62656s) started
T25 << 1462720131.53873897 Atomic density matrices (358.30623s) stopped
T25 >> 1462720131.53877306 Multipole moments (1.21075s) started
T25 << 1462720131.54759598 Multipole moments (1.21957s) stopped
T25 >> 1462720131.54765201 Normalize (1.13996s) started
T25 << 1462720131.55662799 Normalize (1.14894s) stopped
T25 >> 1462720131.55671000 Mix (70.70248s) started
T25 << 1462720131.97453690 Mix (71.12031s) stopped
T25 << 1462720131.97462392 Density (2348.16802s) stopped
T25 >> 1462720131.97479892 Hamiltonian (7904.03745s) started
T25 >> 1462720131.97482300 vbar (3.87386s) started
T25 << 1462720132.00512099 vbar (3.90416s) stopped
T25 >> 1462720132.00525093 XC 3D grid (5055.93620s) started
T25 >> 1462720132.51254392 van der Waals (4920.48159s) started
T25 >> 1462720132.64335608 semilocal (1450.18781s) started
T25 << 1462720138.78401494 semilocal (1456.32847s) stopped
T25 >> 1462720138.88807297 redistribute (844.00121s) started
T25 << 1462720140.69043303 redistribute (845.80357s) stopped
T25 >> 1462720140.69047499 libvdwxc nonlocal (2597.54419s) started
T25 << 1462720159.76373911 libvdwxc nonlocal (2616.61746s) stopped
T25 >> 1462720159.76380897 redistribute (845.80361s) started
T25 << 1462720161.76317906 redistribute (847.80298s) stopped
T25 << 1462720161.76501799 van der Waals (4949.73406s) stopped
T25 << 1462720162.26248598 XC 3D grid (5086.19343s) stopped
T25 >> 1462720162.26252794 Poisson (1283.54883s) started
T25 << 1462720188.29847002 Poisson (1309.58477s) stopped
T25 >> 1462720188.29857993 Hartree integrate/restrict (52.61125s) started
T25 << 1462720188.33390093 Hartree integrate/restrict (52.64657s) stopped
T25 >> 1462720188.33403802 Hartree integrate/restrict (52.64668s) started
T25 << 1462720188.69512796 Hartree integrate/restrict (53.00777s) stopped
T25 >> 1462720188.75336194 Atomic (1238.86399s) started
T25 >> 1462720188.76890492 XC Correction (952.57439s) started
T25 << 1462720197.55254793 XC Correction (961.35804s) stopped
T25 << 1462720200.27030611 Atomic (1250.38094s) stopped
T25 >> 1462720200.27058196 Communicate (261.61407s) started
T25 << 1462720201.09360504 Communicate (262.43709s) stopped
T25 << 1462720201.09363103 Hamiltonian (7973.15628s) stopped
T25 >> 1462720201.09372711 LCAO eigensolver (10522.23641s) started
T25 >> 1462720201.09374094 Potential matrix (356.37468s) started
T25 << 1462720203.46696210 Potential matrix (358.74790s) stopped
T25 >> 1462720203.46706605 DistributedAtomicCorrection (148.35479s) started
T25 << 1462720204.43138409 DistributedAtomicCorrection (149.31911s) stopped
T25 >> 1462720204.43143296 Distribute overlap matrix (798.13514s) started
T25 >> 1462720204.43146992 blocked summation (779.95493s) started
T25 << 1462720209.99152803 blocked summation (785.51498s) stopped
T25 >> 1462720210.00068498 Scalapack redistribute (16.75086s) started
T25 << 1462720210.09686303 Scalapack redistribute (16.84704s) stopped
T25 << 1462720210.09697294 Distribute overlap matrix (803.80068s) stopped
T25 >> 1462720210.10228992 Blacs Orbital Layouts (8480.54699s) started
T25 >> 1462720210.11051893 General diagonalize (8443.93492s) started
T25 << 1462720266.92959499 General diagonalize (8500.75399s) stopped
T25 >> 1462720266.92964005 Redistribute coefs (2.87467s) started
T25 << 1462720266.95568609 Redistribute coefs (2.90072s) stopped
T25 >> 1462720266.95572591 Send coefs to domains (32.40758s) started
T25 << 1462720267.11927295 Send coefs to domains (32.57112s) stopped
T25 << 1462720267.11974311 Blacs Orbital Layouts (8537.56444s) stopped
T25 >> 1462720267.11977196 Calculate projections (737.95796s) started
T25 << 1462720272.08924198 Calculate projections (742.92743s) stopped
T25 << 1462720272.08957911 LCAO eigensolver (10593.23227s) stopped
T25 >> 1462720273.21825504 Density (2348.16809s) started
T25 >> 1462720273.21827006 Pseudo density (1916.35827s) started
T25 >> 1462720273.22071600 Calculate density matrix (1685.44975s) started
T25 << 1462720285.99748302 Calculate density matrix (1698.22651s) stopped
T25 >> 1462720285.99754000 Construct density (224.42169s) started
T25 << 1462720287.60344791 Construct density (226.02760s) stopped
T25 >> 1462720287.61857605 Symmetrize density (0.01070s) started
T25 << 1462720287.61864591 Symmetrize density (0.01077s) stopped
T25 << 1462720287.62099600 Pseudo density (1930.76100s) stopped
T25 >> 1462720287.62106204 Atomic density matrices (358.30625s) started
T25 << 1462720290.30252004 Atomic density matrices (360.98771s) stopped
T25 >> 1462720290.30256510 Multipole moments (1.21959s) started
T25 << 1462720290.31299090 Multipole moments (1.23001s) stopped
T25 >> 1462720290.31305003 Normalize (1.14900s) started
T25 << 1462720290.32370210 Normalize (1.15965s) stopped
T25 >> 1462720290.32376909 Mix (71.12039s) started
T25 << 1462720290.77717710 Mix (71.57380s) stopped
T25 << 1462720290.77724695 Density (2365.72708s) stopped
T25 >> 1462720290.77736807 Hamiltonian (7973.15629s) started
T25 >> 1462720290.77738500 vbar (3.90423s) started
T25 << 1462720290.81636691 vbar (3.94321s) stopped
T25 >> 1462720290.81653905 XC 3D grid (5086.19346s) started
T25 >> 1462720291.29974294 van der Waals (4949.73417s) started
T25 >> 1462720291.43451810 semilocal (1456.32861s) started
T25 << 1462720297.78302503 semilocal (1462.67712s) stopped
T25 >> 1462720297.86152005 redistribute (847.80307s) started
T25 << 1462720299.32821202 redistribute (849.26976s) stopped
T25 >> 1462720299.32825494 libvdwxc nonlocal (2616.61751s) started
T25 << 1462720318.58386493 libvdwxc nonlocal (2635.87312s) stopped
T25 >> 1462720318.58393788 redistribute (849.26980s) started
T25 << 1462720320.61433411 redistribute (851.30019s) stopped
T25 << 1462720320.61584401 van der Waals (4979.05027s) stopped
T25 << 1462720321.11638498 XC 3D grid (5116.49331s) stopped
T25 >> 1462720321.11642599 Poisson (1309.58485s) started
T25 << 1462720335.45093012 Poisson (1323.91936s) stopped
T25 >> 1462720335.45103502 Hartree integrate/restrict (53.00780s) started
T25 << 1462720335.48734188 Hartree integrate/restrict (53.04411s) stopped
T25 >> 1462720335.48748302 Hartree integrate/restrict (53.04421s) started
T25 << 1462720335.84174299 Hartree integrate/restrict (53.39847s) stopped
T25 >> 1462720335.89525604 Atomic (1250.38096s) started
T25 >> 1462720335.91014695 XC Correction (961.35807s) started
T25 << 1462720344.11339808 XC Correction (969.56132s) stopped
T25 << 1462720346.22418690 Atomic (1260.70989s) stopped
T25 >> 1462720346.22442389 Communicate (262.43711s) started
T25 << 1462720348.26330400 Communicate (264.47599s) stopped
T25 << 1462720348.26332903 Hamiltonian (8030.64225s) stopped
T25 >> 1462720348.26341891 LCAO eigensolver (10593.23228s) started
T25 >> 1462720348.26343393 Potential matrix (358.74796s) started
T25 << 1462720350.62586498 Potential matrix (361.11039s) stopped
T25 >> 1462720350.62596393 DistributedAtomicCorrection (149.31915s) started
T25 << 1462720351.58339906 DistributedAtomicCorrection (150.27658s) stopped
T25 >> 1462720351.58344889 Distribute overlap matrix (803.80070s) started
T25 >> 1462720351.58348393 blocked summation (785.51502s) started
T25 << 1462720356.91542101 blocked summation (790.84695s) stopped
T25 >> 1462720356.92465591 Scalapack redistribute (16.84711s) started
T25 << 1462720357.04270196 Scalapack redistribute (16.96516s) stopped
T25 << 1462720357.04279399 Distribute overlap matrix (809.26004s) stopped
T25 >> 1462720357.04834104 Blacs Orbital Layouts (8537.56446s) started
T25 >> 1462720357.05702209 General diagonalize (8500.75403s) started
T25 << 1462720413.12541890 General diagonalize (8556.82243s) stopped
T25 >> 1462720413.12546301 Redistribute coefs (2.90074s) started
T25 << 1462720413.14125395 Redistribute coefs (2.91654s) stopped
T25 >> 1462720413.14129400 Send coefs to domains (32.57116s) started
T25 << 1462720413.24037194 Send coefs to domains (32.67024s) stopped
T25 << 1462720413.24081111 Blacs Orbital Layouts (8593.75693s) stopped
T25 >> 1462720413.24083996 Calculate projections (742.92748s) started
T25 << 1462720418.20068789 Calculate projections (747.88733s) stopped
T25 << 1462720418.20086694 LCAO eigensolver (10663.16973s) stopped
T25 >> 1462720419.30732799 Density (2365.72709s) started
T25 >> 1462720419.30734396 Pseudo density (1930.76105s) started
T25 >> 1462720419.30984092 Calculate density matrix (1698.22655s) started
T25 << 1462720432.11776996 Calculate density matrix (1711.03448s) stopped
T25 >> 1462720432.11782503 Construct density (226.02766s) started
T25 << 1462720433.71993399 Construct density (227.62977s) stopped
T25 >> 1462720433.73471189 Symmetrize density (0.01079s) started
T25 << 1462720433.73478007 Symmetrize density (0.01086s) stopped
T25 << 1462720433.73714209 Pseudo density (1945.19085s) stopped
T25 >> 1462720433.73720288 Atomic density matrices (360.98774s) started
T25 << 1462720436.41759706 Atomic density matrices (363.66813s) stopped
T25 >> 1462720436.41764307 Multipole moments (1.23004s) started
T25 << 1462720436.42945194 Multipole moments (1.24184s) stopped
T25 >> 1462720436.42950797 Normalize (1.15970s) started
T25 << 1462720436.43887210 Normalize (1.16906s) stopped
T25 >> 1462720436.43893695 Mix (71.57386s) started
T25 << 1462720436.90495205 Mix (72.03988s) stopped
T25 << 1462720436.90504694 Density (2383.32481s) stopped
T25 >> 1462720436.90519905 Hamiltonian (8030.64227s) started
T25 >> 1462720436.90522099 vbar (3.94331s) started
T25 << 1462720436.93315101 vbar (3.97124s) stopped
T25 >> 1462720436.93327594 XC 3D grid (5116.49334s) started
T25 >> 1462720437.43112898 van der Waals (4979.05032s) started
T25 >> 1462720437.56291699 semilocal (1462.67720s) started
T25 << 1462720444.09017491 semilocal (1469.20446s) stopped
T25 >> 1462720444.16568089 redistribute (851.30024s) started
T25 << 1462720445.32057500 redistribute (852.45514s) stopped
T25 >> 1462720445.32061911 libvdwxc nonlocal (2635.87317s) started
T25 << 1462720464.16562295 libvdwxc nonlocal (2654.71818s) stopped
T25 >> 1462720464.16568899 redistribute (852.45517s) started
T25 << 1462720465.81914091 redistribute (854.10863s) stopped
T25 << 1462720465.82142806 van der Waals (5007.44062s) stopped
T25 << 1462720466.32089305 XC 3D grid (5145.88096s) stopped
T25 >> 1462720466.32094693 Poisson (1323.91945s) started
T25 << 1462720486.04277802 Poisson (1343.64128s) stopped
T25 >> 1462720486.04285502 Hartree integrate/restrict (53.39851s) started
T25 << 1462720486.09182096 Hartree integrate/restrict (53.44748s) stopped
T25 >> 1462720486.09186697 Hartree integrate/restrict (53.44751s) started
T25 << 1462720486.41351700 Hartree integrate/restrict (53.76916s) stopped
T25 >> 1462720486.47584701 Atomic (1260.70991s) started
T25 >> 1462720486.49067307 XC Correction (969.56134s) started
T25 << 1462720494.71031690 XC Correction (977.78098s) stopped
T25 << 1462720496.45847201 Atomic (1270.69253s) stopped
T25 >> 1462720496.45868492 Communicate (264.47600s) started
T25 << 1462720498.56985402 Communicate (266.58717s) stopped
T25 << 1462720498.56987906 Hamiltonian (8092.30695s) stopped
T25 >> 1462720498.56996894 LCAO eigensolver (10663.16975s) started
T25 >> 1462720498.56998301 Potential matrix (361.11045s) started
T25 << 1462720500.94324398 Potential matrix (363.48371s) stopped
T25 >> 1462720500.94333005 DistributedAtomicCorrection (150.27662s) started
T25 << 1462720501.92282891 DistributedAtomicCorrection (151.25612s) stopped
T25 >> 1462720501.92287302 Distribute overlap matrix (809.26006s) started
T25 >> 1462720501.92290807 blocked summation (790.84698s) started
T25 << 1462720507.34500909 blocked summation (796.26909s) stopped
T25 >> 1462720507.35465908 Scalapack redistribute (16.96521s) started
T25 << 1462720507.47403312 Scalapack redistribute (17.08458s) stopped
T25 << 1462720507.47412705 Distribute overlap matrix (814.81131s) stopped
T25 >> 1462720507.47876406 Blacs Orbital Layouts (8593.75695s) started
T25 >> 1462720507.48661590 General diagonalize (8556.82246s) started
T25 << 1462720563.72974801 General diagonalize (8613.06559s) stopped
T25 >> 1462720563.72979808 Redistribute coefs (2.91657s) started
T25 << 1462720563.74671602 Redistribute coefs (2.93348s) stopped
T25 >> 1462720563.74675894 Send coefs to domains (32.67028s) started
T25 << 1462720563.88420010 Send coefs to domains (32.80772s) stopped
T25 << 1462720563.88464594 Blacs Orbital Layouts (8650.16283s) stopped
T25 >> 1462720563.88467312 Calculate projections (747.88739s) started
T25 << 1462720568.81145191 Calculate projections (752.81417s) stopped
T25 << 1462720568.81163692 LCAO eigensolver (10733.41142s) stopped
T25 >> 1462720569.96264791 Density (2383.32484s) started
T25 >> 1462720569.96266294 Pseudo density (1945.19090s) started
T25 >> 1462720569.96401000 Calculate density matrix (1711.03451s) started
T25 << 1462720582.73516607 Calculate density matrix (1723.80567s) stopped
T25 >> 1462720582.73521996 Construct density (227.62982s) started
T25 << 1462720584.34150505 Construct density (229.23611s) stopped
T25 >> 1462720584.35552192 Symmetrize density (0.01090s) started
T25 << 1462720584.35558295 Symmetrize density (0.01096s) stopped
T25 << 1462720584.35764503 Pseudo density (1959.58588s) stopped
T25 >> 1462720584.35770011 Atomic density matrices (363.66816s) started
T25 << 1462720587.05077410 Atomic density matrices (366.36123s) stopped
T25 >> 1462720587.05081892 Multipole moments (1.24186s) started
T25 << 1462720587.06143689 Multipole moments (1.25248s) stopped
T25 >> 1462720587.06149006 Normalize (1.16911s) started
T25 << 1462720587.06832695 Normalize (1.17595s) stopped
T25 >> 1462720587.06840491 Mix (72.03997s) started
T25 << 1462720587.56689000 Mix (72.53845s) stopped
T25 << 1462720587.56694198 Density (2400.92913s) stopped
T25 >> 1462720587.56705809 Hamiltonian (8092.30696s) started
T25 >> 1462720587.56708288 vbar (3.97131s) started
T25 << 1462720587.59185910 vbar (3.99608s) stopped
T25 >> 1462720587.59225702 XC 3D grid (5145.88100s) started
T25 >> 1462720588.10518694 van der Waals (5007.44069s) started
T25 >> 1462720588.23336911 semilocal (1469.20454s) started
T25 << 1462720594.87278390 semilocal (1475.84396s) stopped
T25 >> 1462720594.94983912 redistribute (854.10874s) started
T25 << 1462720596.04728293 redistribute (855.20618s) stopped
T25 >> 1462720596.04732704 libvdwxc nonlocal (2654.71823s) started
T25 << 1462720615.16365910 libvdwxc nonlocal (2673.83456s) stopped
T25 >> 1462720615.16370606 redistribute (855.20622s) started
T25 << 1462720616.83786201 redistribute (856.88037s) stopped
T25 << 1462720616.83964610 van der Waals (5036.17515s) stopped
T25 << 1462720617.33713889 XC 3D grid (5175.62589s) stopped
T25 >> 1462720617.33717990 Poisson (1343.64134s) started
T25 << 1462720634.69246507 Poisson (1360.99662s) stopped
T25 >> 1462720634.69254208 Hartree integrate/restrict (53.76920s) started
T25 << 1462720634.74814892 Hartree integrate/restrict (53.82481s) stopped
T25 >> 1462720634.74820399 Hartree integrate/restrict (53.82484s) started
T25 << 1462720635.05996990 Hartree integrate/restrict (54.13661s) stopped
T25 >> 1462720635.13148999 Atomic (1270.69255s) started
T25 >> 1462720635.14638305 XC Correction (977.78101s) started
T25 << 1462720643.36097193 XC Correction (985.99560s) stopped
T25 << 1462720645.12487793 Atomic (1280.68594s) stopped
T25 >> 1462720645.12509608 Communicate (266.58719s) started
T25 << 1462720646.92715311 Communicate (268.38924s) stopped
T25 << 1462720646.92717791 Hamiltonian (8151.66708s) stopped
T25 >> 1462720646.92726493 LCAO eigensolver (10733.41143s) started
T25 >> 1462720646.92727995 Potential matrix (363.48376s) started
T25 << 1462720649.28180194 Potential matrix (365.83828s) stopped
T25 >> 1462720649.28188610 DistributedAtomicCorrection (151.25616s) started
T25 << 1462720650.28209496 DistributedAtomicCorrection (152.25637s) stopped
T25 >> 1462720650.28213906 Distribute overlap matrix (814.81132s) started
T25 >> 1462720650.28217411 blocked summation (796.26912s) started
T25 << 1462720655.58704495 blocked summation (801.57399s) stopped
T25 >> 1462720655.59596896 Scalapack redistribute (17.08465s) started
T25 << 1462720655.71211195 Scalapack redistribute (17.20080s) stopped
T25 << 1462720655.71217203 Distribute overlap matrix (820.24135s) stopped
T25 >> 1462720655.71730494 Blacs Orbital Layouts (8650.16285s) started
T25 >> 1462720655.72560692 General diagonalize (8613.06564s) started
T25 << 1462720711.67664289 General diagonalize (8669.01667s) stopped
T25 >> 1462720711.67669010 Redistribute coefs (2.93352s) started
T25 << 1462720711.69320607 Redistribute coefs (2.95003s) stopped
T25 >> 1462720711.69324899 Send coefs to domains (32.80776s) started
T25 << 1462720711.78890491 Send coefs to domains (32.90341s) stopped
T25 << 1462720711.78935790 Blacs Orbital Layouts (8706.23490s) stopped
T25 >> 1462720711.78938603 Calculate projections (752.81422s) started
T25 << 1462720716.71593094 Calculate projections (757.74076s) stopped
T25 << 1462720716.71611905 LCAO eigensolver (10803.20029s) stopped
T25 >> 1462720717.85529304 Density (2400.92915s) started
T25 >> 1462720717.85530806 Pseudo density (1959.58592s) started
T25 >> 1462720717.85664392 Calculate density matrix (1723.80571s) started
T25 << 1462720730.64225101 Calculate density matrix (1736.59132s) stopped
T25 >> 1462720730.64230800 Construct density (229.23616s) started
T25 << 1462720732.25062609 Construct density (230.84448s) stopped
T25 >> 1462720732.28117204 Symmetrize density (0.01098s) started
T25 << 1462720732.28123212 Symmetrize density (0.01104s) stopped
T25 << 1462720732.28328800 Pseudo density (1974.01390s) stopped
T25 >> 1462720732.28334403 Atomic density matrices (366.36126s) started
T25 << 1462720734.95391107 Atomic density matrices (369.03182s) stopped
T25 >> 1462720734.95395708 Multipole moments (1.25250s) started
T25 << 1462720734.96379304 Multipole moments (1.26233s) stopped
T25 >> 1462720734.96384501 Normalize (1.17601s) started
T25 << 1462720734.97060299 Normalize (1.18276s) stopped
T25 >> 1462720734.97068191 Mix (72.53850s) started
T25 << 1462720735.50363898 Mix (73.07146s) stopped
T25 << 1462720735.50371408 Density (2418.57757s) stopped
T25 >> 1462720735.50382400 Hamiltonian (8151.66709s) started
T25 >> 1462720735.50384092 vbar (3.99642s) started
T25 << 1462720735.52877593 vbar (4.02136s) stopped
T25 >> 1462720735.52892089 XC 3D grid (5175.62592s) started
T25 >> 1462720736.03107595 van der Waals (5036.17527s) started
T25 >> 1462720736.16739988 semilocal (1475.84404s) started
T25 << 1462720742.87707090 semilocal (1482.55371s) stopped
T25 >> 1462720742.93471098 redistribute (856.88046s) started
T25 << 1462720761.80686402 redistribute (875.75261s) stopped
T25 >> 1462720761.80690598 libvdwxc nonlocal (2673.83459s) started
T25 << 1462720780.66193795 libvdwxc nonlocal (2692.68963s) stopped
T25 >> 1462720780.66201401 redistribute (875.75264s) started
T25 << 1462720782.56671691 redistribute (877.65735s) stopped
T25 << 1462720782.56811905 van der Waals (5082.71231s) stopped
T25 << 1462720783.06731105 XC 3D grid (5223.16431s) stopped
T25 >> 1462720783.06737900 Poisson (1360.99668s) started
T25 << 1462720800.44969511 Poisson (1378.37899s) stopped
T25 >> 1462720800.44981003 Hartree integrate/restrict (54.13671s) started
T25 << 1462720800.49309897 Hartree integrate/restrict (54.18000s) stopped
T25 >> 1462720800.49320006 Hartree integrate/restrict (54.18007s) started
T25 << 1462720800.83321810 Hartree integrate/restrict (54.52009s) stopped
T25 >> 1462720800.89293194 Atomic (1280.68596s) started
T25 >> 1462720800.90854692 XC Correction (985.99562s) started
T25 << 1462720809.17465091 XC Correction (994.26173s) stopped
T25 << 1462720810.91164804 Atomic (1290.70468s) stopped
T25 >> 1462720810.91187191 Communicate (268.38926s) started
T25 << 1462720812.61403799 Communicate (270.09143s) stopped
T25 << 1462720812.61406398 Hamiltonian (8228.77733s) stopped
T25 >> 1462720812.61415100 LCAO eigensolver (10803.20034s) started
T25 >> 1462720812.61416698 Potential matrix (365.83833s) started
T25 << 1462720814.97976995 Potential matrix (368.20394s) stopped
T25 >> 1462720814.97986698 DistributedAtomicCorrection (152.25640s) started
T25 << 1462720815.92221308 DistributedAtomicCorrection (153.19875s) stopped
T25 >> 1462720815.92226195 Distribute overlap matrix (820.24137s) started
T25 >> 1462720815.92229700 blocked summation (801.57403s) started
T25 << 1462720821.27337408 blocked summation (806.92511s) stopped
T25 >> 1462720821.28267694 Scalapack redistribute (17.20084s) started
T25 << 1462720821.38527703 Scalapack redistribute (17.30344s) stopped
T25 << 1462720821.38537502 Distribute overlap matrix (825.70448s) stopped
T25 >> 1462720821.39168906 Blacs Orbital Layouts (8706.23492s) started
T25 >> 1462720821.40026593 General diagonalize (8669.01671s) started
T25 << 1462720879.11966896 General diagonalize (8726.73612s) stopped
T25 >> 1462720879.11971688 Redistribute coefs (2.95007s) started
T25 << 1462720879.14631605 Redistribute coefs (2.97666s) stopped
T25 >> 1462720879.14635491 Send coefs to domains (32.90345s) started
T25 << 1462720879.37184501 Send coefs to domains (33.12894s) stopped
T25 << 1462720879.37247491 Blacs Orbital Layouts (8764.21571s) stopped
T25 >> 1462720879.37250710 Calculate projections (757.74081s) started
T25 << 1462720884.30191994 Calculate projections (762.67022s) stopped
T25 << 1462720884.30228806 LCAO eigensolver (10874.88848s) stopped
T25 >> 1462720885.43856502 Density (2418.57759s) started
T25 >> 1462720885.43858004 Pseudo density (1974.01395s) started
T25 >> 1462720885.43999505 Calculate density matrix (1736.59135s) started
T25 << 1462720898.25194097 Calculate density matrix (1749.40330s) stopped
T25 >> 1462720898.25199389 Construct density (230.84453s) started
T25 << 1462720899.86166906 Construct density (232.45420s) stopped
T25 >> 1462720899.87569809 Symmetrize density (0.01105s) started
T25 << 1462720899.87575793 Symmetrize density (0.01111s) stopped
T25 << 1462720899.87782001 Pseudo density (1988.45319s) stopped
T25 >> 1462720899.87787604 Atomic density matrices (369.03185s) started
T25 << 1462720902.57204604 Atomic density matrices (371.72602s) stopped
T25 >> 1462720902.57209492 Multipole moments (1.26235s) started
T25 << 1462720902.58364010 Multipole moments (1.27390s) stopped
T25 >> 1462720902.58369303 Normalize (1.18282s) started
T25 << 1462720902.59043694 Normalize (1.18957s) stopped
T25 >> 1462720902.59050012 Mix (73.07153s) started
T25 << 1462720903.13045311 Mix (73.61149s) stopped
T25 << 1462720903.13055301 Density (2436.26958s) stopped
T25 >> 1462720903.13069296 Hamiltonian (8228.77735s) started
T25 >> 1462720903.13071203 vbar (4.02144s) started
T25 << 1462720903.15830708 vbar (4.04904s) stopped
T25 >> 1462720903.15847111 XC 3D grid (5223.16437s) started
T25 >> 1462720903.65835500 van der Waals (5082.71236s) started
T25 >> 1462720903.79034996 semilocal (1482.55379s) started
T25 << 1462720951.34697104 semilocal (1530.11041s) stopped
T25 >> 1462720951.41498899 redistribute (877.65744s) started
T25 << 1462721039.43113303 redistribute (965.67358s) stopped
T25 >> 1462721039.43117690 libvdwxc nonlocal (2692.68969s) started
T25 << 1462721059.08437610 libvdwxc nonlocal (2712.34289s) stopped
T25 >> 1462721059.08441997 redistribute (965.67362s) started
T25 << 1462721060.72736096 redistribute (967.31656s) stopped
T25 << 1462721060.72922206 van der Waals (5239.78322s) stopped
T25 << 1462721061.23019600 XC 3D grid (5381.23609s) stopped
T25 >> 1462721061.23023891 Poisson (1378.37909s) started
T25 << 1462721067.09857202 Poisson (1384.24742s) stopped
T25 >> 1462721067.09863591 Hartree integrate/restrict (54.52013s) started
T25 << 1462721067.16174006 Hartree integrate/restrict (54.58323s) stopped
T25 >> 1462721067.16180301 Hartree integrate/restrict (54.58327s) started
T25 << 1462721067.47501206 Hartree integrate/restrict (54.89648s) stopped
T25 >> 1462721067.53705502 Atomic (1290.70470s) started
T25 >> 1462721067.55228996 XC Correction (994.26175s) started
T25 << 1462721075.79744697 XC Correction (1002.50690s) stopped
T25 << 1462721077.43567395 Atomic (1300.60331s) stopped
T25 >> 1462721077.43588901 Communicate (270.09144s) started
T25 << 1462721079.17829204 Communicate (271.83384s) stopped
T25 << 1462721079.17831707 Hamiltonian (8404.82497s) stopped
T25 >> 1462721079.17840505 LCAO eigensolver (10874.88850s) started
T25 >> 1462721079.17842007 Potential matrix (368.20399s) started
T25 << 1462721081.53290606 Potential matrix (370.55848s) stopped
T25 >> 1462721081.53299093 DistributedAtomicCorrection (153.19879s) started
T25 << 1462721082.52638102 DistributedAtomicCorrection (154.19218s) stopped
T25 >> 1462721082.52642298 Distribute overlap matrix (825.70449s) started
T25 >> 1462721082.52645707 blocked summation (806.92514s) started
T25 << 1462721087.91323400 blocked summation (812.31192s) stopped
T25 >> 1462721087.92247701 Scalapack redistribute (17.30350s) started
T25 << 1462721088.04198694 Scalapack redistribute (17.42301s) stopped
T25 << 1462721088.04206395 Distribute overlap matrix (831.22013s) stopped
T25 >> 1462721088.04750896 Blacs Orbital Layouts (8764.21573s) started
T25 >> 1462721088.05578899 General diagonalize (8726.73616s) started
T25 << 1462721145.72584510 General diagonalize (8784.40621s) stopped
T25 >> 1462721145.72588992 Redistribute coefs (2.97669s) started
T25 << 1462721145.74187112 Redistribute coefs (2.99268s) stopped
T25 >> 1462721145.74191499 Send coefs to domains (33.12899s) started
T25 << 1462721145.84774494 Send coefs to domains (33.23482s) stopped
T25 << 1462721145.84823298 Blacs Orbital Layouts (8822.01646s) stopped
T25 >> 1462721145.84826589 Calculate projections (762.67027s) started
T25 << 1462721150.81717992 Calculate projections (767.63919s) stopped
T25 << 1462721150.81739211 LCAO eigensolver (10946.52748s) stopped
T25 >> 1462721151.92253494 Density (2436.26959s) started
T25 >> 1462721151.92254996 Pseudo density (1988.45323s) started
T25 >> 1462721151.92498899 Calculate density matrix (1749.40333s) started
T25 << 1462721164.72144389 Calculate density matrix (1762.19979s) stopped
T25 >> 1462721164.72149801 Construct density (232.45425s) started
T25 << 1462721166.33781695 Construct density (234.07057s) stopped
T25 >> 1462721166.35260391 Symmetrize density (0.01113s) started
T25 << 1462721166.35266805 Symmetrize density (0.01119s) stopped
T25 << 1462721166.35502100 Pseudo density (2002.88571s) stopped
T25 >> 1462721166.35508204 Atomic density matrices (371.72605s) started
T25 << 1462721169.05029702 Atomic density matrices (374.42126s) stopped
T25 >> 1462721169.05034304 Multipole moments (1.27391s) started
T25 << 1462721169.05984592 Multipole moments (1.28342s) stopped
T25 >> 1462721169.05990100 Normalize (1.18962s) started
T25 << 1462721169.06875396 Normalize (1.19847s) stopped
T25 >> 1462721169.06886005 Mix (73.61158s) started
T25 << 1462721169.60810304 Mix (74.15083s) stopped
T25 << 1462721169.60818601 Density (2453.95525s) stopped
T25 >> 1462721169.60830307 Hamiltonian (8404.82498s) started
T25 >> 1462721169.60832310 vbar (4.04913s) started
T25 << 1462721169.64533591 vbar (4.08615s) stopped
T25 >> 1462721169.64544296 XC 3D grid (5381.23612s) started
T25 >> 1462721170.10793805 van der Waals (5239.78329s) started
T25 >> 1462721170.24093390 semilocal (1530.11050s) started
T25 << 1462721177.01806402 semilocal (1536.88763s) stopped
T25 >> 1462721177.08179498 redistribute (967.31665s) started
T25 << 1462721178.19531798 redistribute (968.43017s) stopped
T25 >> 1462721178.19536090 libvdwxc nonlocal (2712.34292s) started
T25 << 1462721197.40805697 libvdwxc nonlocal (2731.55562s) stopped
T25 >> 1462721197.40812397 redistribute (968.43021s) started
T25 << 1462721199.41266608 redistribute (970.43475s) stopped
T25 << 1462721199.41390896 van der Waals (5269.08926s) stopped
T25 << 1462721199.92681003 XC 3D grid (5411.51749s) stopped
T25 >> 1462721199.92685199 Poisson (1384.24747s) started
T25 << 1462721205.82191396 Poisson (1390.14253s) stopped
T25 >> 1462721205.82203603 Hartree integrate/restrict (54.89653s) started
T25 << 1462721205.85716009 Hartree integrate/restrict (54.93165s) stopped
T25 >> 1462721205.85728192 Hartree integrate/restrict (54.93174s) started
T25 << 1462721206.21953702 Hartree integrate/restrict (55.29400s) stopped
T25 >> 1462721206.27935004 Atomic (1300.60334s) started
T25 >> 1462721206.29498196 XC Correction (1002.50693s) started
T25 << 1462721214.60557294 XC Correction (1010.81752s) stopped
T25 << 1462721216.18037701 Atomic (1310.50436s) stopped
T25 >> 1462721216.18063092 Communicate (271.83386s) started
T25 << 1462721217.88264489 Communicate (273.53587s) stopped
T25 << 1462721217.88266993 Hamiltonian (8453.09935s) stopped
T25 >> 1462721217.88276100 LCAO eigensolver (10946.52750s) started
T25 >> 1462721217.88277602 Potential matrix (370.55852s) started
T25 << 1462721220.25554299 Potential matrix (372.93129s) stopped
T25 >> 1462721220.25564289 DistributedAtomicCorrection (154.19222s) started
T25 << 1462721221.23275900 DistributedAtomicCorrection (155.16933s) stopped
T25 >> 1462721221.23280811 Distribute overlap matrix (831.22015s) started
T25 >> 1462721221.23284411 blocked summation (812.31195s) started
T25 << 1462721226.56442308 blocked summation (817.64353s) stopped
T25 >> 1462721226.57423306 Scalapack redistribute (17.42306s) started
T25 << 1462721226.69698191 Scalapack redistribute (17.54581s) stopped
T25 << 1462721226.69710708 Distribute overlap matrix (836.68445s) stopped
T25 >> 1462721226.70267296 Blacs Orbital Layouts (8822.01648s) started
T25 >> 1462721226.71088791 General diagonalize (8784.40625s) started
T25 << 1462721283.70616603 General diagonalize (8841.40153s) stopped
T25 >> 1462721283.70621395 Redistribute coefs (2.99271s) started
T25 << 1462721283.72159410 Redistribute coefs (3.00809s) stopped
T25 >> 1462721283.72163701 Send coefs to domains (33.23485s) started
T25 << 1462721284.28821492 Send coefs to domains (33.80143s) stopped
T25 << 1462721284.28870106 Blacs Orbital Layouts (8879.60250s) stopped
T25 >> 1462721284.28872991 Calculate projections (767.63925s) started
T25 << 1462721289.25647712 Calculate projections (772.60700s) stopped
T25 << 1462721289.25666308 LCAO eigensolver (11017.90140s) stopped
T25 >> 1462721290.58518910 Density (2453.95526s) started
T25 >> 1462721290.58520389 Pseudo density (2002.88576s) started
T25 >> 1462721290.58779502 Calculate density matrix (1762.19982s) started
T25 << 1462721303.38738394 Calculate density matrix (1774.99941s) stopped
T25 >> 1462721303.38744092 Construct density (234.07063s) started
T25 << 1462721305.00236511 Construct density (235.68555s) stopped
T25 >> 1462721305.05799794 Symmetrize density (0.01121s) started
T25 << 1462721305.05805993 Symmetrize density (0.01127s) stopped
T25 << 1462721305.06040597 Pseudo density (2017.36096s) stopped
T25 >> 1462721305.06046510 Atomic density matrices (374.42129s) started
T25 << 1462721307.71353602 Atomic density matrices (377.07436s) stopped
T25 >> 1462721307.71358204 Multipole moments (1.28343s) started
T25 << 1462721307.72350788 Multipole moments (1.29336s) stopped
T25 >> 1462721307.72356296 Normalize (1.19855s) started
T25 << 1462721307.73365998 Normalize (1.20865s) stopped
T25 >> 1462721307.73372293 Mix (74.15091s) started
T25 << 1462721308.26571298 Mix (74.68290s) stopped
T25 << 1462721308.26580000 Density (2471.63587s) stopped
T25 >> 1462721308.26590610 Hamiltonian (8453.09936s) started
T25 >> 1462721308.26592398 vbar (4.08620s) started
T25 << 1462721308.28857088 vbar (4.10885s) stopped
T25 >> 1462721308.28866196 XC 3D grid (5411.51752s) started
T25 >> 1462721308.90841103 van der Waals (5269.08930s) started
T25 >> 1462721309.04152203 semilocal (1536.88771s) started
T25 << 1462721372.86914706 semilocal (1600.71534s) stopped
T25 >> 1462721372.95948601 redistribute (970.43479s) started
T25 << 1462721374.01425695 redistribute (971.48956s) stopped
T25 >> 1462721374.01429892 libvdwxc nonlocal (2731.55567s) started
T25 << 1462721392.90567899 libvdwxc nonlocal (2750.44705s) stopped
T25 >> 1462721392.90574908 redistribute (971.48959s) started
T25 << 1462721394.86900806 redistribute (973.45285s) stopped
T25 << 1462721394.87031507 van der Waals (5355.05120s) stopped
T25 << 1462721395.37653494 XC 3D grid (5498.60540s) stopped
T25 >> 1462721395.37658310 Poisson (1390.14263s) started
T25 << 1462721402.58365393 Poisson (1397.34970s) stopped
T25 >> 1462721402.58376408 Hartree integrate/restrict (55.29406s) started
T25 << 1462721402.62242389 Hartree integrate/restrict (55.33272s) stopped
T25 >> 1462721402.62258005 Hartree integrate/restrict (55.33283s) started
T25 << 1462721402.97023201 Hartree integrate/restrict (55.68048s) stopped
T25 >> 1462721403.03037095 Atomic (1310.50438s) started
T25 >> 1462721403.04607010 XC Correction (1010.81755s) started
T25 << 1462721411.34203196 XC Correction (1019.11351s) stopped
T25 << 1462721412.87057400 Atomic (1320.34459s) stopped
T25 >> 1462721412.87082100 Communicate (273.53589s) started
T25 << 1462721414.64456511 Communicate (275.30963s) stopped
T25 << 1462721414.64459300 Hamiltonian (8559.47805s) stopped
T25 >> 1462721414.64470100 LCAO eigensolver (11017.90142s) started
T25 >> 1462721414.64471698 Potential matrix (372.93135s) started
T25 << 1462721417.01138997 Potential matrix (375.29802s) stopped
T25 >> 1462721417.01149392 DistributedAtomicCorrection (155.16937s) started
T25 << 1462721418.01353598 DistributedAtomicCorrection (156.17141s) stopped
T25 >> 1462721418.01358604 Distribute overlap matrix (836.68447s) started
T25 >> 1462721418.01362300 blocked summation (817.64356s) started
T25 << 1462721423.41659307 blocked summation (823.04653s) stopped
T25 >> 1462721423.42568493 Scalapack redistribute (17.54589s) started
T25 << 1462721423.54385090 Scalapack redistribute (17.66405s) stopped
T25 << 1462721423.54396009 Distribute overlap matrix (842.21484s) stopped
T25 >> 1462721423.54890990 Blacs Orbital Layouts (8879.60252s) started
T25 >> 1462721423.55754995 General diagonalize (8841.40156s) started
T25 << 1462721482.78534508 General diagonalize (8900.62936s) stopped
T25 >> 1462721482.78539109 Redistribute coefs (3.00812s) started
T25 << 1462721482.80001807 Redistribute coefs (3.02275s) stopped
T25 >> 1462721482.80008292 Send coefs to domains (33.80146s) started
T25 << 1462721483.11506796 Send coefs to domains (34.11645s) stopped
T25 << 1462721483.11553097 Blacs Orbital Layouts (8939.16914s) stopped
T25 >> 1462721483.11556101 Calculate projections (772.60705s) started
T25 << 1462721488.09100890 Calculate projections (777.58250s) stopped
T25 << 1462721488.09119201 LCAO eigensolver (11091.34791s) stopped
T25 >> 1462721489.50248194 Density (2471.63589s) started
T25 >> 1462721489.50249910 Pseudo density (2017.36101s) started
T25 >> 1462721489.50514007 Calculate density matrix (1774.99945s) started
T25 << 1462721502.21356010 Calculate density matrix (1787.70787s) stopped
T25 >> 1462721502.21361804 Construct density (235.68561s) started
T25 << 1462721503.82854795 Construct density (237.30054s) stopped
T25 >> 1462721503.84386992 Symmetrize density (0.01129s) started
T25 << 1462721503.84393406 Symmetrize density (0.01136s) stopped
T25 << 1462721503.84631205 Pseudo density (2031.70482s) stopped
T25 >> 1462721503.84637308 Atomic density matrices (377.07438s) started
T25 << 1462721506.52872205 Atomic density matrices (379.75673s) stopped
T25 >> 1462721506.52876806 Multipole moments (1.29338s) started
T25 << 1462721506.53979492 Multipole moments (1.30441s) stopped
T25 >> 1462721506.53985405 Normalize (1.20870s) started
T25 << 1462721506.54893088 Normalize (1.21778s) stopped
T25 >> 1462721506.54899001 Mix (74.68298s) started
T25 << 1462721507.09291101 Mix (75.22690s) stopped
T25 << 1462721507.09302211 Density (2489.22643s) stopped
T25 >> 1462721507.09313512 Hamiltonian (8559.47806s) started
T25 >> 1462721507.09315610 vbar (4.10890s) started
T25 << 1462721507.12798309 vbar (4.14373s) stopped
T25 >> 1462721507.12811208 XC 3D grid (5498.60543s) started
T25 >> 1462721507.61882997 van der Waals (5355.05128s) started
T25 >> 1462721507.75093389 semilocal (1600.71544s) started
T25 << 1462721514.41631103 semilocal (1607.38081s) stopped
T25 >> 1462721514.47854900 redistribute (973.45293s) started
T25 << 1462721516.77722096 redistribute (975.75160s) stopped
T25 >> 1462721516.77726293 libvdwxc nonlocal (2750.44710s) started
T25 << 1462721535.98962998 libvdwxc nonlocal (2769.65947s) stopped
T25 >> 1462721535.98968506 redistribute (975.75164s) started
T25 << 1462721537.65117002 redistribute (977.41312s) stopped
T25 << 1462721537.65288806 van der Waals (5385.08534s) stopped
T25 << 1462721538.15408206 XC 3D grid (5529.63140s) stopped
T25 >> 1462721538.15412807 Poisson (1397.34979s) started
T25 << 1462721545.45288706 Poisson (1404.64854s) stopped
T25 >> 1462721545.45295906 Hartree integrate/restrict (55.68052s) started
T25 << 1462721545.51071405 Hartree integrate/restrict (55.73827s) stopped
T25 >> 1462721545.51078892 Hartree integrate/restrict (55.73832s) started
T25 << 1462721545.82726192 Hartree integrate/restrict (56.05480s) stopped
T25 >> 1462721545.88359904 Atomic (1320.34461s) started
T25 >> 1462721545.89900088 XC Correction (1019.11353s) started
T25 << 1462721554.21218896 XC Correction (1027.42672s) stopped
T25 << 1462721555.80697608 Atomic (1330.26798s) stopped
T25 >> 1462721555.80718994 Communicate (275.30965s) started
T25 << 1462721557.50678706 Communicate (277.00925s) stopped
T25 << 1462721557.50681305 Hamiltonian (8609.89174s) stopped
T25 >> 1462721557.50691104 LCAO eigensolver (11091.34793s) started
T25 >> 1462721557.50692606 Potential matrix (375.29808s) started
T25 << 1462721559.86799407 Potential matrix (377.65914s) stopped
T25 >> 1462721559.86808610 DistributedAtomicCorrection (156.17146s) started
T25 << 1462721560.83640504 DistributedAtomicCorrection (157.13978s) stopped
T25 >> 1462721560.83644795 Distribute overlap matrix (842.21485s) started
T25 >> 1462721560.83648396 blocked summation (823.04656s) started
T25 << 1462721566.17493105 blocked summation (828.38501s) stopped
T25 >> 1462721566.18452907 Scalapack redistribute (17.66412s) started
T25 << 1462721566.30285096 Scalapack redistribute (17.78244s) stopped
T25 << 1462721566.30293012 Distribute overlap matrix (847.68134s) stopped
T25 >> 1462721566.30871797 Blacs Orbital Layouts (8939.16916s) started
T25 >> 1462721566.31675100 General diagonalize (8900.62939s) started
T25 << 1462721623.86894298 General diagonalize (8958.18159s) stopped
T25 >> 1462721623.86898804 Redistribute coefs (3.02280s) started
T25 << 1462721623.88526011 Redistribute coefs (3.03907s) stopped
T25 >> 1462721623.88530207 Send coefs to domains (34.11648s) started
T25 << 1462721623.99339604 Send coefs to domains (34.22458s) stopped
T25 << 1462721623.99386907 Blacs Orbital Layouts (8996.85431s) stopped
T25 >> 1462721623.99389696 Calculate projections (777.58256s) started
T25 << 1462721628.91497111 Calculate projections (782.50363s) stopped
T25 << 1462721628.91515589 LCAO eigensolver (11162.75617s) stopped
T25 >> 1462721630.42347002 Density (2489.22644s) started
T25 >> 1462721630.42348409 Pseudo density (2031.70487s) started
T25 >> 1462721630.42469907 Calculate density matrix (1787.70791s) started
T25 << 1462721643.16887498 Calculate density matrix (1800.45209s) stopped
T25 >> 1462721643.16893506 Construct density (237.30060s) started
T25 << 1462721644.77158093 Construct density (238.90325s) stopped
T25 >> 1462721644.79076695 Symmetrize density (0.01137s) started
T25 << 1462721644.79082298 Symmetrize density (0.01143s) stopped
T25 << 1462721644.79315305 Pseudo density (2046.07454s) stopped
T25 >> 1462721644.79320598 Atomic density matrices (379.75676s) started
T25 << 1462721647.49835801 Atomic density matrices (382.46191s) stopped
T25 >> 1462721647.49840212 Multipole moments (1.30442s) started
T25 << 1462721647.50899696 Multipole moments (1.31502s) stopped
T25 >> 1462721647.50904989 Normalize (1.21782s) started
T25 << 1462721647.51579309 Normalize (1.22456s) stopped
T25 >> 1462721647.51587510 Mix (75.22701s) started
T25 << 1462721648.11782289 Mix (75.82896s) stopped
T25 << 1462721648.11786199 Density (2506.92084s) stopped
T25 >> 1462721648.11793804 Hamiltonian (8609.89175s) started
T25 >> 1462721648.11795306 vbar (4.14380s) started
T25 << 1462721648.13467598 vbar (4.16052s) stopped
T25 >> 1462721648.13476992 XC 3D grid (5529.63144s) started
T25 >> 1462721648.61529708 van der Waals (5385.08545s) started
T25 >> 1462721648.74707389 semilocal (1607.38088s) started
T25 << 1462721655.43224192 semilocal (1614.06605s) stopped
T25 >> 1462721655.51491690 redistribute (977.41323s) started
T25 << 1462721676.23229408 redistribute (998.13061s) stopped
T25 >> 1462721676.23233700 libvdwxc nonlocal (2769.65951s) started
T25 << 1462721695.96675706 libvdwxc nonlocal (2789.39393s) stopped
T25 >> 1462721695.96682096 redistribute (998.13064s) started
T25 << 1462721697.59998202 redistribute (999.76380s) stopped
T25 << 1462721697.60190797 van der Waals (5434.07206s) stopped
T25 << 1462721698.10684609 XC 3D grid (5579.60352s) stopped
T25 >> 1462721698.10689712 Poisson (1404.64860s) started
T25 << 1462721708.43134594 Poisson (1414.97305s) stopped
T25 >> 1462721708.43143106 Hartree integrate/restrict (56.05484s) started
T25 << 1462721708.49427295 Hartree integrate/restrict (56.11768s) stopped
T25 >> 1462721708.49433708 Hartree integrate/restrict (56.11772s) started
T25 << 1462721708.95717311 Hartree integrate/restrict (56.58056s) stopped
T25 >> 1462721709.01674104 Atomic (1330.26800s) started
T25 >> 1462721709.03205800 XC Correction (1027.42674s) started
T25 << 1462721717.36645389 XC Correction (1035.76114s) stopped
T25 << 1462721718.85285807 Atomic (1340.10412s) stopped
T25 >> 1462721718.85307097 Communicate (277.00926s) started
T25 << 1462721720.65203810 Communicate (278.80823s) stopped
T25 << 1462721720.65206409 Hamiltonian (8682.42588s) stopped
T25 >> 1462721720.65214896 LCAO eigensolver (11162.75619s) started
T25 >> 1462721720.65216303 Potential matrix (377.65919s) started
T25 << 1462721723.01524210 Potential matrix (380.02227s) stopped
T25 >> 1462721723.01532793 DistributedAtomicCorrection (157.13981s) started
T25 << 1462721723.96790791 DistributedAtomicCorrection (158.09239s) stopped
T25 >> 1462721723.96795106 Distribute overlap matrix (847.68135s) started
T25 >> 1462721723.96798491 blocked summation (828.38504s) started
T25 << 1462721729.32620597 blocked summation (833.74326s) stopped
T25 >> 1462721729.33528709 Scalapack redistribute (17.78248s) started
T25 << 1462721729.45249510 Scalapack redistribute (17.89969s) stopped
T25 << 1462721729.45260692 Distribute overlap matrix (853.16601s) stopped
T25 >> 1462721729.45764089 Blacs Orbital Layouts (8996.85433s) started
T25 >> 1462721729.46571708 General diagonalize (8958.18162s) started
T25 << 1462721784.66769791 General diagonalize (9013.38360s) stopped
T25 >> 1462721784.66774607 Redistribute coefs (3.03910s) started
T25 << 1462721784.69463205 Redistribute coefs (3.06599s) stopped
T25 >> 1462721784.69467306 Send coefs to domains (34.22462s) started
T25 << 1462721784.99219298 Send coefs to domains (34.52214s) stopped
T25 << 1462721784.99286890 Blacs Orbital Layouts (9052.38956s) stopped
T25 >> 1462721784.99289989 Calculate projections (782.50368s) started
T25 << 1462721789.94386196 Calculate projections (787.45464s) stopped
T25 << 1462721789.94407606 LCAO eigensolver (11232.04812s) stopped
T25 >> 1462721791.08716011 Density (2506.92085s) started
T25 >> 1462721791.08717299 Pseudo density (2046.07458s) started
T25 >> 1462721791.08913302 Calculate density matrix (1800.45213s) started
T25 << 1462721803.92908096 Calculate density matrix (1813.29207s) stopped
T25 >> 1462721803.92913389 Construct density (238.90330s) started
T25 << 1462721805.53716111 Construct density (240.51132s) stopped
T25 >> 1462721805.55412197 Symmetrize density (0.01145s) started
T25 << 1462721805.55418706 Symmetrize density (0.01151s) stopped
T25 << 1462721805.55651593 Pseudo density (2060.54392s) stopped
T25 >> 1462721805.55658007 Atomic density matrices (382.46193s) started
T25 << 1462721808.26060700 Atomic density matrices (385.16596s) stopped
T25 >> 1462721808.26065302 Multipole moments (1.31504s) started
T25 << 1462721808.27148509 Multipole moments (1.32587s) stopped
T25 >> 1462721808.27153993 Normalize (1.22462s) started
T25 << 1462721808.27942300 Normalize (1.23251s) stopped
T25 >> 1462721808.27946806 Mix (75.82899s) started
T25 << 1462721808.78857803 Mix (76.33810s) stopped
T25 << 1462721808.78866911 Density (2524.62236s) stopped
T25 >> 1462721808.78878093 Hamiltonian (8682.42589s) started
T25 >> 1462721808.78880000 vbar (4.16057s) started
T25 << 1462721808.81602907 vbar (4.18780s) stopped
T25 >> 1462721808.81615591 XC 3D grid (5579.60356s) started
T25 >> 1462721809.30148196 van der Waals (5434.07210s) started
T25 >> 1462721809.43545198 semilocal (1614.06613s) started
T25 << 1462721864.58011389 semilocal (1669.21079s) stopped
T25 >> 1462721864.64698100 redistribute (999.76385s) started
T25 << 1462721865.74269295 redistribute (1000.85956s) stopped
T25 >> 1462721865.74273610 libvdwxc nonlocal (2789.39398s) started
T25 << 1462721884.87543511 libvdwxc nonlocal (2808.52668s) stopped
T25 >> 1462721884.87548399 redistribute (1000.85960s) started
T25 << 1462721886.92024302 redistribute (1002.90435s) stopped
T25 << 1462721886.92198205 van der Waals (5511.69260s) stopped
T25 << 1462721887.41953707 XC 3D grid (5658.20694s) stopped
T25 >> 1462721887.41957903 Poisson (1414.97311s) started
T25 << 1462721893.15011597 Poisson (1420.70365s) stopped
T25 >> 1462721893.15020990 Hartree integrate/restrict (56.58062s) started
T25 << 1462721893.19381189 Hartree integrate/restrict (56.62422s) stopped
T25 >> 1462721893.19387102 Hartree integrate/restrict (56.62426s) started
T25 << 1462721893.54374099 Hartree integrate/restrict (56.97413s) stopped
T25 >> 1462721893.60194612 Atomic (1340.10414s) started
T25 >> 1462721893.61770892 XC Correction (1035.76116s) started
T25 << 1462721901.99600101 XC Correction (1044.13945s) stopped
T25 << 1462721903.48202991 Atomic (1349.98422s) stopped
T25 >> 1462721903.48225307 Communicate (278.80825s) started
T25 << 1462721905.20503712 Communicate (280.53103s) stopped
T25 << 1462721905.20506310 Hamiltonian (8778.84217s) stopped
T25 >> 1462721905.20515490 LCAO eigensolver (11232.04814s) started
T25 >> 1462721905.20516992 Potential matrix (380.02232s) started
T25 << 1462721907.56803393 Potential matrix (382.38519s) stopped
T25 >> 1462721907.56813312 DistributedAtomicCorrection (158.09243s) started
T25 << 1462721908.51493311 DistributedAtomicCorrection (159.03923s) stopped
T25 >> 1462721908.51498604 Distribute overlap matrix (853.16602s) started
T25 >> 1462721908.51502299 blocked summation (833.74330s) started
T25 << 1462721913.83072209 blocked summation (839.05900s) stopped
T25 >> 1462721913.84015203 Scalapack redistribute (17.89976s) started
T25 << 1462721913.96451712 Scalapack redistribute (18.02413s) stopped
T25 << 1462721913.96461606 Distribute overlap matrix (858.61565s) stopped
T25 >> 1462721913.97057009 Blacs Orbital Layouts (9052.38958s) started
T25 >> 1462721913.97930789 General diagonalize (9013.38365s) started
T25 << 1462721970.60671997 General diagonalize (9070.01106s) stopped
T25 >> 1462721970.60676408 Redistribute coefs (3.06602s) started
T25 << 1462721970.62180495 Redistribute coefs (3.08106s) stopped
T25 >> 1462721970.62184691 Send coefs to domains (34.52217s) started
T25 << 1462721970.70586896 Send coefs to domains (34.60620s) stopped
T25 << 1462721970.70638800 Blacs Orbital Layouts (9109.12540s) stopped
T25 >> 1462721970.70641804 Calculate projections (787.45470s) started
T25 << 1462721975.66634107 Calculate projections (792.41462s) stopped
T25 << 1462721975.66652298 LCAO eigensolver (11302.50951s) stopped
T25 >> 1462721976.80007005 Density (2524.62237s) started
T25 >> 1462721976.80008411 Pseudo density (2060.54397s) started
T25 >> 1462721976.80185699 Calculate density matrix (1813.29211s) started
T25 << 1462721989.58732891 Calculate density matrix (1826.07758s) stopped
T25 >> 1462721989.58738494 Construct density (240.51138s) started
T25 << 1462721991.19853592 Construct density (242.12253s) stopped
T25 >> 1462721991.27605009 Symmetrize density (0.01153s) started
T25 << 1462721991.27611399 Symmetrize density (0.01159s) stopped
T25 << 1462721991.27845502 Pseudo density (2075.02235s) stopped
T25 >> 1462721991.27851701 Atomic density matrices (385.16599s) started
T25 << 1462721993.92577100 Atomic density matrices (387.81324s) stopped
T25 >> 1462721993.92581701 Multipole moments (1.32588s) started
T25 << 1462721993.93583107 Multipole moments (1.33590s) stopped
T25 >> 1462721993.93588495 Normalize (1.23254s) started
T25 << 1462721993.94375396 Normalize (1.24041s) stopped
T25 >> 1462721993.94379306 Mix (76.33819s) started
T25 << 1462721994.48223996 Mix (76.87664s) stopped
T25 << 1462721994.48233294 Density (2542.30464s) stopped
T25 >> 1462721994.48245692 Hamiltonian (8778.84219s) started
T25 >> 1462721994.48247504 vbar (4.18788s) started
T25 << 1462721994.50859308 vbar (4.21400s) stopped
T25 >> 1462721994.50872302 XC 3D grid (5658.20697s) started
T25 >> 1462721995.01845002 van der Waals (5511.69269s) started
T25 >> 1462721995.15002799 semilocal (1669.21086s) started
T25 << 1462722001.93909192 semilocal (1675.99993s) stopped
T25 >> 1462722002.01175904 redistribute (1002.90443s) started
T25 << 1462722003.36468410 redistribute (1004.25735s) stopped
T25 >> 1462722003.36472702 libvdwxc nonlocal (2808.52671s) started
T25 << 1462722022.60807109 libvdwxc nonlocal (2827.77006s) stopped
T25 >> 1462722022.60813904 redistribute (1004.25738s) started
T25 << 1462722024.30138898 redistribute (1005.95063s) stopped
T25 << 1462722024.30331206 van der Waals (5540.97755s) stopped
T25 << 1462722024.79916096 XC 3D grid (5688.49741s) stopped
T25 >> 1462722024.79922390 Poisson (1420.70372s) started
T25 << 1462722029.19030309 Poisson (1425.09480s) stopped
T25 >> 1462722029.19039893 Hartree integrate/restrict (56.97417s) started
T25 << 1462722029.24609089 Hartree integrate/restrict (57.02986s) stopped
T25 >> 1462722029.24614191 Hartree integrate/restrict (57.02989s) started
T25 << 1462722029.56339598 Hartree integrate/restrict (57.34715s) stopped
T25 >> 1462722029.62645507 Atomic (1349.98424s) started
T25 >> 1462722029.64190412 XC Correction (1044.13947s) started
T25 << 1462722037.92096901 XC Correction (1052.41854s) stopped
T25 << 1462722039.50603700 Atomic (1359.86383s) stopped
T25 >> 1462722039.50628710 Communicate (280.53105s) started
T25 << 1462722041.37843609 Communicate (282.40320s) stopped
T25 << 1462722041.37846088 Hamiltonian (8825.73819s) stopped
T25 >> 1462722041.37855411 LCAO eigensolver (11302.50952s) started
T25 >> 1462722041.37856793 Potential matrix (382.38524s) started
T25 << 1462722043.74077702 Potential matrix (384.74745s) stopped
T25 >> 1462722043.74085903 DistributedAtomicCorrection (159.03927s) started
T25 << 1462722044.73244405 DistributedAtomicCorrection (160.03085s) stopped
T25 >> 1462722044.73248696 Distribute overlap matrix (858.61566s) started
T25 >> 1462722044.73252201 blocked summation (839.05903s) started
T25 << 1462722050.00610995 blocked summation (844.33262s) stopped
T25 >> 1462722050.01522899 Scalapack redistribute (18.02419s) started
T25 << 1462722050.14106607 Scalapack redistribute (18.15003s) stopped
T25 << 1462722050.14115906 Distribute overlap matrix (864.02433s) stopped
T25 >> 1462722050.14553809 Blacs Orbital Layouts (9109.12542s) started
T25 >> 1462722050.15346503 General diagonalize (9070.01109s) started
T25 << 1462722105.24531293 General diagonalize (9125.10294s) stopped
T25 >> 1462722105.24535894 Redistribute coefs (3.08109s) started
T25 << 1462722105.26140904 Redistribute coefs (3.09714s) stopped
T25 >> 1462722105.26145196 Send coefs to domains (34.60623s) started
T25 << 1462722105.34442210 Send coefs to domains (34.68920s) stopped
T25 << 1462722105.34497404 Blacs Orbital Layouts (9164.32485s) stopped
T25 >> 1462722105.34500003 Calculate projections (792.41468s) started
T25 << 1462722110.27605200 Calculate projections (797.34573s) stopped
T25 << 1462722110.27624202 LCAO eigensolver (11371.40721s) stopped
T25 << 1462722111.41349506 SCF-cycle (22951.84502s) stopped
T25 >> 1462722114.28028202 Force calculation (1123.21606s) started
T25 >> 1462722114.28035998 LCAO forces (1008.03933s) started
T25 >> 1462722114.28072500 Initial (0.00029s) started
T25 << 1462722114.28073597 Initial (0.00030s) stopped
T25 >> 1462722114.29096699 Get density matrix (469.93642s) started
T25 << 1462722123.87074304 Get density matrix (479.51620s) stopped
T25 >> 1462722123.87080598 Potential (161.41269s) started
T25 << 1462722136.12122607 Potential (173.66312s) stopped
T25 >> 1462722136.12128091 Get density matrix (479.51625s) started
T25 << 1462722163.36602092 Get density matrix (506.76099s) stopped
T25 >> 1462722163.36608291 Prepare TCI loop (31.58151s) started
T25 >> 1462722163.36660194 Get neighbors (28.42436s) started
T25 << 1462722165.49835992 Get neighbors (30.55612s) stopped
T25 >> 1462722165.49938798 broadcast dH (3.14273s) started
T25 << 1462722165.73125505 broadcast dH (3.37460s) stopped
T25 << 1462722165.73129892 Prepare TCI loop (33.94673s) stopped
T25 >> 1462722165.73131704 Not so complicated loop (134.73480s) started
T25 << 1462722176.21975088 Not so complicated loop (145.22324s) stopped
T25 >> 1462722176.33651900 Complicated loop (208.72051s) started
T25 << 1462722192.40157199 Complicated loop (224.78557s) stopped
T25 >> 1462722192.40507293 Wait for sum (0.00134s) started
T25 << 1462722192.40516400 Wait for sum (0.00143s) stopped
T25 << 1462722192.40517902 LCAO forces (1086.16415s) stopped
T25 << 1462722201.50911999 Force calculation (1210.44490s) stopped
T25 >> 1462722201.52730489 Initialization (1676.55019s) started
T25 << 1462722201.52751398 Initialization (1676.55040s) stopped
T25 >> 1462722201.52780008 Initialization (1676.55042s) started
T25 << 1462722201.52794695 Initialization (1676.55057s) stopped
T25 >> 1462722201.52809596 Initialization (1676.55058s) started
T25 << 1462722201.52824306 Initialization (1676.55073s) stopped
T25 >> 1462722224.93333602 Initialization (1676.55075s) started
T25 >> 1462722225.12192798 Basic WFS set positions (1.72001s) started
T25 >> 1462722225.12195110 Redistribute (0.26698s) started
T25 << 1462722225.12208605 Redistribute (0.26711s) stopped
T25 << 1462722225.24232793 Basic WFS set positions (1.84041s) stopped
T25 >> 1462722225.24236488 Basis functions set positions (26.38620s) started
T25 << 1462722227.29231310 Basis functions set positions (28.43614s) stopped
T25 >> 1462722227.29476500 TCI: Calculate S, T, P (329.44353s) started
T25 << 1462722252.28144503 TCI: Calculate S, T, P (354.43021s) stopped
T25 >> 1462722252.28153992 blocked summation (265.51364s) started
T25 << 1462722275.80561399 blocked summation (289.03771s) stopped
T25 >> 1462722275.82169199 Scalapack redistribute (3.75091s) started
T25 << 1462722275.91704607 Scalapack redistribute (3.84626s) stopped
T25 >> 1462722275.91805005 blocked summation (289.03775s) started
T25 << 1462722277.15323091 blocked summation (290.27293s) stopped
T25 >> 1462722277.16312194 Scalapack redistribute (3.84633s) started
T25 << 1462722277.26834607 Scalapack redistribute (3.95155s) stopped
T25 >> 1462722277.27083397 Redistribute (0.75453s) started
T25 << 1462722277.27200508 Redistribute (0.75570s) stopped
T25 >> 1462722279.26180196 Redistribute (0.75572s) started
T25 << 1462722279.26322293 Redistribute (0.75714s) stopped
T25 >> 1462722279.28602505 LCAO WFS Initialize (1012.10610s) started
T25 >> 1462722279.28607106 Density initialize from wavefunctions (191.82382s) started
T25 >> 1462722279.29022193 Calculate density matrix (130.98548s) started
T25 << 1462722289.26185894 Calculate density matrix (140.95712s) stopped
T25 >> 1462722289.26191497 Construct density (21.22997s) started
T25 << 1462722290.88123894 Construct density (22.84929s) stopped
T25 >> 1462722290.89419508 Symmetrize density (0.00102s) started
T25 << 1462722290.89425111 Symmetrize density (0.00108s) stopped
T25 << 1462722294.04878402 Density initialize from wavefunctions (206.58653s) stopped
T25 >> 1462722294.04928994 Hamiltonian (819.25718s) started
T25 >> 1462722294.04930902 vbar (0.34585s) started
T25 << 1462722294.06758094 vbar (0.36412s) stopped
T25 >> 1462722294.06767392 XC 3D grid (414.92073s) started
T25 >> 1462722294.56926703 van der Waals (401.02261s) started
T25 >> 1462722294.70557189 semilocal (90.19796s) started
T25 << 1462722301.23730493 semilocal (96.72969s) stopped
T25 >> 1462722301.29866505 redistribute (41.87822s) started
T25 << 1462722302.85190010 redistribute (43.43145s) stopped
T25 >> 1462722302.85197806 libvdwxc nonlocal (266.10974s) started
T25 << 1462722322.03127909 libvdwxc nonlocal (285.28904s) stopped
T25 >> 1462722322.03134894 redistribute (43.43149s) started
T25 << 1462722323.74430299 redistribute (45.14444s) stopped
T25 << 1462722323.74569988 van der Waals (430.19905s) stopped
T25 << 1462722324.22375202 XC 3D grid (445.07681s) stopped
T25 >> 1462722324.22379494 Poisson (231.42769s) started
T25 << 1462722337.13636804 Poisson (244.34026s) stopped
T25 >> 1462722337.13643098 Hartree integrate/restrict (5.43005s) started
T25 << 1462722337.19117308 Hartree integrate/restrict (5.48479s) stopped
T25 >> 1462722337.19122696 Hartree integrate/restrict (5.48483s) started
T25 << 1462722337.51188993 Hartree integrate/restrict (5.80549s) stopped
T25 >> 1462722337.57025194 Atomic (147.26947s) started
T25 >> 1462722337.58711910 XC Correction (109.34347s) started
T25 << 1462722347.03343797 XC Correction (118.78979s) stopped
T25 << 1462722349.61228108 Atomic (159.31150s) stopped
T25 >> 1462722349.61264110 Communicate (18.99646s) started
T25 << 1462722349.72319794 Communicate (19.10701s) stopped
T25 << 1462722349.72322202 Hamiltonian (874.93111s) stopped
T25 << 1462722349.72328210 LCAO WFS Initialize (1082.54335s) stopped
T25 << 1462722349.73555207 Initialization (1801.35297s) stopped
T25 >> 1462722349.76366091 SCF-cycle (22951.84504s) started
T25 >> 1462722349.76370811 LCAO eigensolver (11371.40723s) started
T25 >> 1462722349.76372004 Potential matrix (384.74750s) started
T25 << 1462722352.12826395 Potential matrix (387.11204s) stopped
T25 >> 1462722352.12834811 DistributedAtomicCorrection (160.03089s) started
T25 << 1462722353.16003704 DistributedAtomicCorrection (161.06258s) stopped
T25 >> 1462722353.16008592 Distribute overlap matrix (864.02434s) started
T25 >> 1462722353.16012692 blocked summation (844.33265s) started
T25 << 1462722358.69850802 blocked summation (849.87103s) stopped
T25 >> 1462722358.70759392 Scalapack redistribute (18.15008s) started
T25 << 1462722358.83622003 Scalapack redistribute (18.27871s) stopped
T25 << 1462722358.83631706 Distribute overlap matrix (869.70058s) stopped
T25 >> 1462722358.84080505 Blacs Orbital Layouts (9164.32487s) started
T25 >> 1462722358.84970403 General diagonalize (9125.10298s) started
T25 << 1462722414.34324002 General diagonalize (9180.59651s) stopped
T25 >> 1462722414.34328890 Redistribute coefs (3.09718s) started
T25 << 1462722414.36018896 Redistribute coefs (3.11408s) stopped
T25 >> 1462722414.36022997 Send coefs to domains (34.68924s) started
T25 << 1462722414.45669889 Send coefs to domains (34.78570s) stopped
T25 << 1462722414.45734906 Blacs Orbital Layouts (9219.94142s) stopped
T25 >> 1462722414.45737910 Calculate projections (797.34578s) started
T25 << 1462722419.38322496 Calculate projections (802.27162s) stopped
T25 << 1462722419.38359904 LCAO eigensolver (11441.02712s) stopped
T25 >> 1462722420.59718609 Density (2542.30465s) started
T25 >> 1462722420.59720206 Pseudo density (2075.02240s) started
T25 >> 1462722420.59841490 Calculate density matrix (1826.07761s) started
T25 << 1462722433.24144912 Calculate density matrix (1838.72065s) stopped
T25 >> 1462722433.24150610 Construct density (242.12258s) started
T25 << 1462722434.85399699 Construct density (243.73507s) stopped
T25 >> 1462722434.92368293 Symmetrize density (0.01161s) started
T25 << 1462722434.92374611 Symmetrize density (0.01167s) stopped
T25 << 1462722434.92581201 Pseudo density (2089.35101s) stopped
T25 >> 1462722434.92586803 Atomic density matrices (387.81326s) started
T25 << 1462722437.55991101 Atomic density matrices (390.44731s) stopped
T25 >> 1462722437.55994296 Multipole moments (1.33591s) started
T25 << 1462722437.56988502 Multipole moments (1.34586s) stopped
T25 >> 1462722437.56994104 Normalize (1.24044s) started
T25 << 1462722437.57654810 Normalize (1.24704s) stopped
T25 >> 1462722437.57665205 Mix (76.87673s) started
T25 << 1462722438.00058293 Mix (77.30066s) stopped
T25 << 1462722438.00064802 Density (2559.70812s) stopped
T25 >> 1462722438.00076604 Hamiltonian (8825.73820s) started
T25 >> 1462722438.00078201 vbar (4.21407s) started
T25 << 1462722438.02872610 vbar (4.24201s) stopped
T25 >> 1462722438.02884197 XC 3D grid (5688.49746s) started
T25 >> 1462722438.54727006 van der Waals (5540.97772s) started
T25 >> 1462722438.68069696 semilocal (1676.00002s) started
T25 << 1462722444.91157603 semilocal (1682.23090s) stopped
T25 >> 1462722445.02360797 redistribute (1005.95074s) started
T25 << 1462722446.82680988 redistribute (1007.75394s) stopped
T25 >> 1462722446.82685399 libvdwxc nonlocal (2827.77011s) started
T25 << 1462722466.04771399 libvdwxc nonlocal (2846.99097s) stopped
T25 >> 1462722466.04778194 redistribute (1007.75398s) started
T25 << 1462722467.74149394 redistribute (1009.44769s) stopped
T25 << 1462722467.74352002 van der Waals (5570.17397s) stopped
T25 << 1462722468.22879505 XC 3D grid (5718.69742s) stopped
T25 >> 1462722468.22883606 Poisson (1425.09488s) started
T25 << 1462722475.78802991 Poisson (1432.65407s) stopped
T25 >> 1462722475.78812695 Hartree integrate/restrict (57.34719s) started
T25 << 1462722475.83099294 Hartree integrate/restrict (57.39005s) stopped
T25 >> 1462722475.83109403 Hartree integrate/restrict (57.39012s) started
T25 << 1462722476.18615198 Hartree integrate/restrict (57.74518s) stopped
T25 >> 1462722476.24409604 Atomic (1359.86385s) started
T25 >> 1462722476.26020288 XC Correction (1052.41857s) started
T25 << 1462722485.24060702 XC Correction (1061.39897s) stopped
T25 << 1462722487.95567393 Atomic (1371.57543s) stopped
T25 >> 1462722487.95595098 Communicate (282.40321s) started
T25 << 1462722488.50584602 Communicate (282.95311s) stopped
T25 << 1462722488.50587106 Hamiltonian (8876.24331s) stopped
T25 >> 1462722488.50597191 LCAO eigensolver (11441.02714s) started
T25 >> 1462722488.50598693 Potential matrix (387.11209s) started
T25 << 1462722490.87262392 Potential matrix (389.47873s) stopped
T25 >> 1462722490.87272406 DistributedAtomicCorrection (161.06262s) started
T25 << 1462722491.82208204 DistributedAtomicCorrection (162.01198s) stopped
T25 >> 1462722491.82213092 Distribute overlap matrix (869.70059s) started
T25 >> 1462722491.82216907 blocked summation (849.87107s) started
T25 << 1462722497.20954609 blocked summation (855.25844s) stopped
T25 >> 1462722497.21862793 Scalapack redistribute (18.27877s) started
T25 << 1462722497.32611704 Scalapack redistribute (18.38626s) stopped
T25 << 1462722497.32618499 Distribute overlap matrix (875.20464s) stopped
T25 >> 1462722497.33095503 Blacs Orbital Layouts (9219.94144s) started
T25 >> 1462722497.33936596 General diagonalize (9180.59656s) started
T25 << 1462722554.31496501 General diagonalize (9237.57216s) stopped
T25 >> 1462722554.31504107 Redistribute coefs (3.11411s) started
T25 << 1462722554.33219004 Redistribute coefs (3.13126s) stopped
T25 >> 1462722554.33223391 Send coefs to domains (34.78575s) started
T25 << 1462722554.42829394 Send coefs to domains (34.88181s) stopped
T25 << 1462722554.42877293 Blacs Orbital Layouts (9277.03926s) stopped
T25 >> 1462722554.42880297 Calculate projections (802.27168s) started
T25 << 1462722559.40447807 Calculate projections (807.24735s) stopped
T25 << 1462722559.40482092 LCAO eigensolver (11511.92599s) stopped
T25 >> 1462722560.55148005 Density (2559.70813s) started
T25 >> 1462722560.55149508 Pseudo density (2089.35105s) started
T25 >> 1462722560.55402589 Calculate density matrix (1838.72069s) started
T25 << 1462722573.16021490 Calculate density matrix (1851.32688s) stopped
T25 >> 1462722573.16027188 Construct density (243.73512s) started
T25 << 1462722574.77101302 Construct density (245.34586s) stopped
T25 >> 1462722574.78619099 Symmetrize density (0.01169s) started
T25 << 1462722574.78625703 Symmetrize density (0.01176s) stopped
T25 << 1462722574.78861594 Pseudo density (2103.58817s) stopped
T25 >> 1462722574.78867602 Atomic density matrices (390.44733s) started
T25 << 1462722577.49757290 Atomic density matrices (393.15623s) stopped
T25 >> 1462722577.49762011 Multipole moments (1.34587s) started
T25 << 1462722577.50729489 Multipole moments (1.35555s) stopped
T25 >> 1462722577.50735307 Normalize (1.24712s) started
T25 << 1462722577.51653099 Normalize (1.25630s) stopped
T25 >> 1462722577.51658702 Mix (77.30073s) started
T25 << 1462722578.03781891 Mix (77.82196s) stopped
T25 << 1462722578.03788495 Density (2577.19454s) stopped
T25 >> 1462722578.03798008 Hamiltonian (8876.24332s) started
T25 >> 1462722578.03800011 vbar (4.24208s) started
T25 << 1462722578.05750203 vbar (4.26158s) stopped
T25 >> 1462722578.05760002 XC 3D grid (5718.69745s) started
T25 >> 1462722578.56061792 van der Waals (5570.17407s) started
T25 >> 1462722578.69036889 semilocal (1682.23100s) started
T25 << 1462722585.08137798 semilocal (1688.62201s) stopped
T25 >> 1462722585.15455389 redistribute (1009.44780s) started
T25 << 1462722586.70595598 redistribute (1010.99920s) stopped
T25 >> 1462722586.70600295 libvdwxc nonlocal (2846.99102s) started
T25 << 1462722605.93268490 libvdwxc nonlocal (2866.21770s) stopped
T25 >> 1462722605.93275189 redistribute (1010.99923s) started
T25 << 1462722608.06781602 redistribute (1013.13430s) stopped
T25 << 1462722608.06914902 van der Waals (5599.68260s) stopped
T25 << 1462722608.55598688 XC 3D grid (5749.19584s) stopped
T25 >> 1462722608.55605006 Poisson (1432.65414s) started
T25 << 1462722615.73263407 Poisson (1439.83072s) stopped
T25 >> 1462722615.73270512 Hartree integrate/restrict (57.74524s) started
T25 << 1462722615.77161002 Hartree integrate/restrict (57.78415s) stopped
T25 >> 1462722615.77181005 Hartree integrate/restrict (57.78430s) started
T25 << 1462722616.16162992 Hartree integrate/restrict (58.17412s) stopped
T25 >> 1462722616.21917105 Atomic (1371.57545s) started
T25 >> 1462722616.23503399 XC Correction (1061.39900s) started
T25 << 1462722624.63733506 XC Correction (1069.80130s) stopped
T25 << 1462722627.11217499 Atomic (1382.46845s) stopped
T25 >> 1462722627.11244702 Communicate (282.95312s) started
T25 << 1462722628.47730899 Communicate (284.31798s) stopped
T25 << 1462722628.47733498 Hamiltonian (8926.68267s) stopped
T25 >> 1462722628.47743893 LCAO eigensolver (11511.92601s) started
T25 >> 1462722628.47745490 Potential matrix (389.47878s) started
T25 << 1462722630.83223009 Potential matrix (391.83356s) stopped
T25 >> 1462722630.83233190 DistributedAtomicCorrection (162.01202s) started
T25 << 1462722631.80230308 DistributedAtomicCorrection (162.98199s) stopped
T25 >> 1462722631.80235291 Distribute overlap matrix (875.20465s) started
T25 >> 1462722631.80239201 blocked summation (855.25848s) started
T25 << 1462722637.15984201 blocked summation (860.61593s) stopped
T25 >> 1462722637.16939306 Scalapack redistribute (18.38629s) started
T25 << 1462722637.26720095 Scalapack redistribute (18.48410s) stopped
T25 << 1462722637.26730490 Distribute overlap matrix (880.66961s) stopped
T25 >> 1462722637.27261901 Blacs Orbital Layouts (9277.03928s) started
T25 >> 1462722637.28079009 General diagonalize (9237.57222s) started
T25 << 1462722692.62754297 General diagonalize (9292.91897s) stopped
T25 >> 1462722692.62758994 Redistribute coefs (3.13129s) started
T25 << 1462722692.64384007 Redistribute coefs (3.14754s) stopped
T25 >> 1462722692.64388609 Send coefs to domains (34.88184s) started
T25 << 1462722692.73008800 Send coefs to domains (34.96804s) stopped
T25 << 1462722692.73055196 Blacs Orbital Layouts (9332.49721s) stopped
T25 >> 1462722692.73058391 Calculate projections (807.24741s) started
T25 << 1462722697.70267797 Calculate projections (812.21950s) stopped
T25 << 1462722697.70300698 LCAO eigensolver (11581.15157s) stopped
T25 >> 1462722698.84639597 Density (2577.19455s) started
T25 >> 1462722698.84641099 Pseudo density (2103.58822s) started
T25 >> 1462722698.84887600 Calculate density matrix (1851.32691s) started
T25 << 1462722711.60036707 Calculate density matrix (1864.07840s) stopped
T25 >> 1462722711.60042191 Construct density (245.34592s) started
T25 << 1462722713.21062708 Construct density (246.95612s) stopped
T25 >> 1462722713.23405790 Symmetrize density (0.01177s) started
T25 << 1462722713.23412204 Symmetrize density (0.01184s) stopped
T25 << 1462722713.23646307 Pseudo density (2117.97827s) stopped
T25 >> 1462722713.23652291 Atomic density matrices (393.15625s) started
T25 << 1462722715.91415691 Atomic density matrices (395.83389s) stopped
T25 >> 1462722715.91420507 Multipole moments (1.35557s) started
T25 << 1462722715.92372799 Multipole moments (1.36509s) stopped
T25 >> 1462722715.92378402 Normalize (1.25634s) started
T25 << 1462722715.93271589 Normalize (1.26528s) stopped
T25 >> 1462722715.93278909 Mix (77.82202s) started
T25 << 1462722716.41030502 Mix (78.29954s) stopped
T25 << 1462722716.41042900 Density (2594.75858s) stopped
T25 >> 1462722716.41059899 Hamiltonian (8926.68269s) started
T25 >> 1462722716.41062188 vbar (4.26163s) started
T25 << 1462722716.44064808 vbar (4.29166s) stopped
T25 >> 1462722716.44081712 XC 3D grid (5749.19589s) started
T25 >> 1462722716.94764304 van der Waals (5599.68264s) started
T25 >> 1462722717.08115697 semilocal (1688.62212s) started
T25 << 1462722723.57109904 semilocal (1695.11206s) stopped
T25 >> 1462722723.64014292 redistribute (1013.13439s) started
T25 << 1462722725.07892203 redistribute (1014.57317s) stopped
T25 >> 1462722725.07896495 libvdwxc nonlocal (2866.21775s) started
T25 << 1462722743.95596790 libvdwxc nonlocal (2885.09475s) stopped
T25 >> 1462722743.95605302 redistribute (1014.57320s) started
T25 << 1462722745.89205098 redistribute (1016.50920s) stopped
T25 << 1462722745.89348602 van der Waals (5628.62849s) stopped
T25 << 1462722746.37515092 XC 3D grid (5779.13022s) stopped
T25 >> 1462722746.37521410 Poisson (1439.83077s) started
T25 << 1462722752.24970889 Poisson (1445.70527s) stopped
T25 >> 1462722752.24984789 Hartree integrate/restrict (58.17419s) started
T25 << 1462722752.28839493 Hartree integrate/restrict (58.21274s) stopped
T25 >> 1462722752.28857708 Hartree integrate/restrict (58.21286s) started
T25 << 1462722752.63654900 Hartree integrate/restrict (58.56083s) stopped
T25 >> 1462722752.69311190 Atomic (1382.46847s) started
T25 >> 1462722752.70898390 XC Correction (1069.80132s) started
T25 << 1462722761.14480805 XC Correction (1078.23715s) stopped
T25 << 1462722762.75248790 Atomic (1392.52785s) stopped
T25 >> 1462722762.75274801 Communicate (284.31800s) started
T25 << 1462722765.11515999 Communicate (286.68041s) stopped
T25 << 1462722765.11518598 Hamiltonian (8975.38727s) stopped
T25 >> 1462722765.11529303 LCAO eigensolver (11581.15159s) started
T25 >> 1462722765.11530805 Potential matrix (391.83362s) started
T25 << 1462722767.47698689 Potential matrix (394.19530s) stopped
T25 >> 1462722767.47708893 DistributedAtomicCorrection (162.98203s) started
T25 << 1462722768.44376707 DistributedAtomicCorrection (163.94871s) stopped
T25 >> 1462722768.44381595 Distribute overlap matrix (880.66962s) started
T25 >> 1462722768.44385290 blocked summation (860.61596s) started
T25 << 1462722773.75644302 blocked summation (865.92855s) stopped
T25 >> 1462722773.76690698 Scalapack redistribute (18.48417s) started
T25 << 1462722773.89196301 Scalapack redistribute (18.60923s) stopped
T25 << 1462722773.89204192 Distribute overlap matrix (886.11785s) stopped
T25 >> 1462722773.89935994 Blacs Orbital Layouts (9332.49723s) started
T25 >> 1462722773.90806890 General diagonalize (9292.91901s) started
T25 << 1462722829.07363105 General diagonalize (9348.08457s) stopped
T25 >> 1462722829.07367706 Redistribute coefs (3.14758s) started
T25 << 1462722829.08974195 Redistribute coefs (3.16364s) stopped
T25 >> 1462722829.08978796 Send coefs to domains (34.96808s) started
T25 << 1462722829.25802112 Send coefs to domains (35.13631s) stopped
T25 << 1462722829.25846100 Blacs Orbital Layouts (9387.85633s) stopped
T25 >> 1462722829.25848889 Calculate projections (812.21956s) started
T25 << 1462722834.22999597 Calculate projections (817.19107s) stopped
T25 << 1462722834.23031807 LCAO eigensolver (11650.26662s) stopped
T25 >> 1462722835.55891705 Density (2594.75860s) started
T25 >> 1462722835.55893302 Pseudo density (2117.97832s) started
T25 >> 1462722835.56081009 Calculate density matrix (1864.07844s) started
T25 << 1462722848.26986003 Calculate density matrix (1876.78749s) stopped
T25 >> 1462722848.26991796 Construct density (246.95618s) started
T25 << 1462722849.88072991 Construct density (248.56699s) stopped
T25 >> 1462722849.89475894 Symmetrize density (0.01186s) started
T25 << 1462722849.89482403 Symmetrize density (0.01192s) stopped
T25 << 1462722849.89716911 Pseudo density (2132.31656s) stopped
T25 >> 1462722849.89723206 Atomic density matrices (395.83391s) started
T25 << 1462722852.58487296 Atomic density matrices (398.52155s) stopped
T25 >> 1462722852.58491993 Multipole moments (1.36511s) started
T25 << 1462722852.59597993 Multipole moments (1.37617s) stopped
T25 >> 1462722852.59603691 Normalize (1.26533s) started
T25 << 1462722852.60488796 Normalize (1.27418s) stopped
T25 >> 1462722852.60493708 Mix (78.29966s) started
T25 << 1462722853.15679789 Mix (78.85152s) stopped
T25 << 1462722853.15687609 Density (2612.35656s) stopped
T25 >> 1462722853.15701795 Hamiltonian (8975.38729s) started
T25 >> 1462722853.15703607 vbar (4.29175s) started
T25 << 1462722853.18514109 vbar (4.31986s) stopped
T25 >> 1462722853.18531108 XC 3D grid (5779.13027s) started
T25 >> 1462722853.69619608 van der Waals (5628.62856s) started
T25 >> 1462722853.82729602 semilocal (1695.11215s) started
T25 << 1462722868.16282606 semilocal (1709.44768s) stopped
T25 >> 1462722868.22815108 redistribute (1016.50929s) started
T25 << 1462722869.58578610 redistribute (1017.86693s) stopped
T25 >> 1462722869.58582807 libvdwxc nonlocal (2885.09482s) started
T25 << 1462722888.41429710 libvdwxc nonlocal (2903.92329s) stopped
T25 >> 1462722888.41436791 redistribute (1017.86696s) started
T25 << 1462722890.34630990 redistribute (1019.79890s) stopped
T25 << 1462722890.34862590 van der Waals (5665.28099s) stopped
T25 << 1462722890.82970691 XC 3D grid (5816.77467s) stopped
T25 >> 1462722890.82975006 Poisson (1445.70538s) started
T25 << 1462722896.59372592 Poisson (1451.46936s) stopped
T25 >> 1462722896.59387398 Hartree integrate/restrict (58.56088s) started
T25 << 1462722896.63313007 Hartree integrate/restrict (58.60014s) stopped
T25 >> 1462722896.63320303 Hartree integrate/restrict (58.60018s) started
T25 << 1462722896.98021889 Hartree integrate/restrict (58.94720s) stopped
T25 >> 1462722897.03715992 Atomic (1392.52787s) started
T25 >> 1462722897.05306911 XC Correction (1078.23717s) started
T25 << 1462722905.48927307 XC Correction (1086.67338s) stopped
T25 << 1462722907.01508403 Atomic (1402.50579s) stopped
T25 >> 1462722907.01530695 Communicate (286.68043s) started
T25 << 1462722908.65344596 Communicate (288.31857s) stopped
T25 << 1462722908.65347195 Hamiltonian (9030.88374s) stopped
T25 >> 1462722908.65356302 LCAO eigensolver (11650.26664s) started
T25 >> 1462722908.65357900 Potential matrix (394.19535s) started
T25 << 1462722911.01127505 Potential matrix (396.55305s) stopped
T25 >> 1462722911.01136899 DistributedAtomicCorrection (163.94875s) started
T25 << 1462722911.95965409 DistributedAtomicCorrection (164.89704s) stopped
T25 >> 1462722911.95970297 Distribute overlap matrix (886.11786s) started
T25 >> 1462722911.95973492 blocked summation (865.92858s) started
T25 << 1462722917.34231091 blocked summation (871.31116s) stopped
T25 >> 1462722917.35183501 Scalapack redistribute (18.60928s) started
T25 << 1462722917.47658205 Scalapack redistribute (18.73403s) stopped
T25 << 1462722917.47663689 Distribute overlap matrix (891.63479s) stopped
T25 >> 1462722917.48306298 Blacs Orbital Layouts (9387.85635s) started
T25 >> 1462722917.49156499 General diagonalize (9348.08461s) started
T25 << 1462722974.63447189 General diagonalize (9405.22751s) stopped
T25 >> 1462722974.63452005 Redistribute coefs (3.16368s) started
T25 << 1462722974.65110707 Redistribute coefs (3.18026s) stopped
T25 >> 1462722974.65114999 Send coefs to domains (35.13635s) started
T25 << 1462722974.75761509 Send coefs to domains (35.24281s) stopped
T25 << 1462722974.75806808 Blacs Orbital Layouts (9445.13135s) stopped
T25 >> 1462722974.75809598 Calculate projections (817.19113s) started
T25 << 1462722979.71754503 Calculate projections (822.15057s) stopped
T25 << 1462722979.71787906 LCAO eigensolver (11721.33095s) stopped
T25 >> 1462722980.81225109 Density (2612.35657s) started
T25 >> 1462722980.81226707 Pseudo density (2132.31661s) started
T25 >> 1462722980.81422091 Calculate density matrix (1876.78752s) started
T25 << 1462722993.65085101 Calculate density matrix (1889.62415s) stopped
T25 >> 1462722993.65090704 Construct density (248.56705s) started
T25 << 1462722995.26744103 Construct density (250.18358s) stopped
T25 >> 1462722995.28091788 Symmetrize density (0.01194s) started
T25 << 1462722995.28098512 Symmetrize density (0.01200s) stopped
T25 << 1462722995.28333402 Pseudo density (2146.78767s) stopped
T25 >> 1462722995.28339696 Atomic density matrices (398.52158s) started
T25 << 1462722997.97402191 Atomic density matrices (401.21220s) stopped
T25 >> 1462722997.97407103 Multipole moments (1.37619s) started
T25 << 1462722997.98473811 Multipole moments (1.38685s) stopped
T25 >> 1462722997.98479390 Normalize (1.27422s) started
T25 << 1462722997.99239492 Normalize (1.28182s) stopped
T25 >> 1462722997.99243402 Mix (78.85159s) started
T25 << 1462722998.55941606 Mix (79.41857s) stopped
T25 << 1462722998.55949903 Density (2630.10382s) stopped
T25 >> 1462722998.55962801 Hamiltonian (9030.88375s) started
T25 >> 1462722998.55964494 vbar (4.31995s) started
T25 << 1462722998.58728695 vbar (4.34759s) stopped
T25 >> 1462722998.58742595 XC 3D grid (5816.77470s) started
T25 >> 1462722999.07440805 van der Waals (5665.28110s) started
T25 >> 1462722999.20650291 semilocal (1709.44780s) started
T25 << 1462723038.64307189 semilocal (1748.88437s) stopped
T25 >> 1462723038.70360303 redistribute (1019.79904s) started
T25 << 1462723142.56754994 redistribute (1123.66298s) stopped
T25 >> 1462723142.56759405 libvdwxc nonlocal (2903.92334s) started
T25 << 1462723161.15062308 libvdwxc nonlocal (2922.50637s) stopped
T25 >> 1462723161.15066600 redistribute (1123.66302s) started
T25 << 1462723162.99548602 redistribute (1125.50784s) stopped
T25 << 1462723162.99806595 van der Waals (5829.20476s) stopped
T25 << 1462723163.48750710 XC 3D grid (5981.67478s) stopped
T25 >> 1462723163.48754907 Poisson (1451.46948s) started
T25 << 1462723167.78797007 Poisson (1455.76990s) stopped
T25 >> 1462723167.78803492 Hartree integrate/restrict (58.94725s) started
T25 << 1462723167.83323407 Hartree integrate/restrict (58.99245s) stopped
T25 >> 1462723167.83331990 Hartree integrate/restrict (58.99250s) started
T25 << 1462723168.16427708 Hartree integrate/restrict (59.32346s) stopped
T25 >> 1462723168.22606397 Atomic (1402.50581s) started
T25 >> 1462723168.24197793 XC Correction (1086.67340s) started
T25 << 1462723176.67336798 XC Correction (1095.10479s) stopped
T25 << 1462723178.24262810 Atomic (1412.52238s) stopped
T25 >> 1462723178.24284410 Communicate (288.31858s) started
T25 << 1462723179.66896796 Communicate (289.74471s) stopped
T25 << 1462723179.66899705 Hamiltonian (9211.99312s) stopped
T25 >> 1462723179.66908908 LCAO eigensolver (11721.33097s) started
T25 >> 1462723179.66910410 Potential matrix (396.55310s) started
T25 << 1462723182.02428699 Potential matrix (398.90829s) stopped
T25 >> 1462723182.02438688 DistributedAtomicCorrection (164.89708s) started
T25 << 1462723182.99725294 DistributedAtomicCorrection (165.86994s) stopped
T25 >> 1462723182.99730396 Distribute overlap matrix (891.63480s) started
T25 >> 1462723182.99734092 blocked summation (871.31119s) started
T25 << 1462723188.40405393 blocked summation (876.71790s) stopped
T25 >> 1462723188.41322303 Scalapack redistribute (18.73407s) started
T25 << 1462723188.52796888 Scalapack redistribute (18.84881s) stopped
T25 << 1462723188.52806902 Distribute overlap matrix (897.16557s) stopped
T25 >> 1462723188.53366303 Blacs Orbital Layouts (9445.13137s) started
T25 >> 1462723188.54193211 General diagonalize (9405.22755s) started
T25 << 1462723244.35750198 General diagonalize (9461.04312s) stopped
T25 >> 1462723244.35758495 Redistribute coefs (3.18030s) started
T25 << 1462723244.37708902 Redistribute coefs (3.19980s) stopped
T25 >> 1462723244.37713599 Send coefs to domains (35.24284s) started
T25 << 1462723244.46979403 Send coefs to domains (35.33550s) stopped
T25 << 1462723244.47048211 Blacs Orbital Layouts (9501.06819s) stopped
T25 >> 1462723244.47051311 Calculate projections (822.15063s) started
T25 << 1462723249.40457296 Calculate projections (827.08469s) stopped
T25 << 1462723249.40478110 LCAO eigensolver (11791.06666s) stopped
T25 >> 1462723250.56508207 Density (2630.10384s) started
T25 >> 1462723250.56509709 Pseudo density (2146.78773s) started
T25 >> 1462723250.56708193 Calculate density matrix (1889.62419s) started
T25 << 1462723263.32176495 Calculate density matrix (1902.37887s) stopped
T25 >> 1462723263.32182407 Construct density (250.18364s) started
T25 << 1462723264.93740702 Construct density (251.79922s) stopped
T25 >> 1462723265.06142092 Symmetrize density (0.01202s) started
T25 << 1462723265.06147599 Symmetrize density (0.01208s) stopped
T25 << 1462723265.06355500 Pseudo density (2161.28618s) stopped
T25 >> 1462723265.06361198 Atomic density matrices (401.21223s) started
T25 << 1462723267.66654396 Atomic density matrices (403.81516s) stopped
T25 >> 1462723267.66659093 Multipole moments (1.38687s) started
T25 << 1462723267.67814803 Multipole moments (1.39843s) stopped
T25 >> 1462723267.67820406 Normalize (1.28185s) started
T25 << 1462723267.68464208 Normalize (1.28829s) stopped
T25 >> 1462723267.68471694 Mix (79.41865s) started
T25 << 1462723268.21602607 Mix (79.94996s) stopped
T25 << 1462723268.21610403 Density (2647.75486s) stopped
T25 >> 1462723268.21622801 Hamiltonian (9211.99313s) started
T25 >> 1462723268.21624589 vbar (4.34767s) started
T25 << 1462723268.24963903 vbar (4.38106s) stopped
T25 >> 1462723268.24976707 XC 3D grid (5981.67482s) started
T25 >> 1462723268.74650788 van der Waals (5829.20483s) started
T25 >> 1462723268.87963009 semilocal (1748.88445s) started
T25 << 1462723442.53650498 semilocal (1922.54132s) stopped
T25 >> 1462723442.60109210 redistribute (1125.50794s) started
T25 << 1462723443.91296506 redistribute (1126.81981s) stopped
T25 >> 1462723443.91300893 libvdwxc nonlocal (2922.50640s) started
T25 << 1462723463.20079088 libvdwxc nonlocal (2941.79419s) stopped
T25 >> 1462723463.20085692 redistribute (1126.81985s) started
T25 << 1462723465.07833910 redistribute (1128.69733s) stopped
T25 << 1462723465.07989407 van der Waals (6025.53821s) stopped
T25 << 1462723465.57436395 XC 3D grid (6178.99941s) stopped
T25 >> 1462723465.57441592 Poisson (1455.76995s) started
T25 << 1462723469.97857904 Poisson (1460.17412s) stopped
T25 >> 1462723469.97867799 Hartree integrate/restrict (59.32350s) started
T25 << 1462723470.02717209 Hartree integrate/restrict (59.37200s) stopped
T25 >> 1462723470.02721405 Hartree integrate/restrict (59.37202s) started
T25 << 1462723470.36351991 Hartree integrate/restrict (59.70833s) stopped
T25 >> 1462723470.42466092 Atomic (1412.52239s) started
T25 >> 1462723470.44049406 XC Correction (1095.10481s) started
T25 << 1462723478.88754392 XC Correction (1103.55186s) stopped
T25 << 1462723480.39986897 Atomic (1422.49760s) stopped
T25 >> 1462723480.40015197 Communicate (289.74472s) started
T25 << 1462723481.97218204 Communicate (291.31675s) stopped
T25 << 1462723481.97220898 Hamiltonian (9425.74911s) stopped
T25 >> 1462723481.97232103 LCAO eigensolver (11791.06668s) started
T25 >> 1462723481.97233605 Potential matrix (398.90834s) started
T25 << 1462723484.33943510 Potential matrix (401.27544s) stopped
T25 >> 1462723484.33951998 DistributedAtomicCorrection (165.86998s) started
T25 << 1462723485.34988999 DistributedAtomicCorrection (166.88035s) stopped
T25 >> 1462723485.34993410 Distribute overlap matrix (897.16559s) started
T25 >> 1462723485.34997392 blocked summation (876.71794s) started
T25 << 1462723490.68736506 blocked summation (882.05533s) stopped
T25 >> 1462723490.69619608 Scalapack redistribute (18.84889s) started
T25 << 1462723490.80005598 Scalapack redistribute (18.95275s) stopped
T25 << 1462723490.80012298 Distribute overlap matrix (902.61578s) stopped
T25 >> 1462723490.80502796 Blacs Orbital Layouts (9501.06821s) started
T25 >> 1462723490.81293011 General diagonalize (9461.04319s) started
T25 << 1462723547.96282911 General diagonalize (9518.19309s) stopped
T25 >> 1462723547.96289611 Redistribute coefs (3.19984s) started
T25 << 1462723547.97974110 Redistribute coefs (3.21668s) stopped
T25 >> 1462723547.97978592 Send coefs to domains (35.33554s) started
T25 << 1462723548.07316089 Send coefs to domains (35.42891s) stopped
T25 << 1462723548.07378197 Blacs Orbital Layouts (9558.33696s) stopped
T25 >> 1462723548.07381010 Calculate projections (827.08474s) started
T25 << 1462723553.03226399 Calculate projections (832.04320s) stopped
T25 << 1462723553.03247404 LCAO eigensolver (11862.12683s) stopped
T25 >> 1462723554.20385194 Density (2647.75488s) started
T25 >> 1462723554.20386505 Pseudo density (2161.28623s) started
T25 >> 1462723554.20574808 Calculate density matrix (1902.37891s) started
T25 << 1462723566.83327508 Calculate density matrix (1915.00644s) stopped
T25 >> 1462723566.83333302 Construct density (251.79927s) started
T25 << 1462723568.44791007 Construct density (253.41385s) stopped
T25 >> 1462723568.50144196 Symmetrize density (0.01209s) started
T25 << 1462723568.50150490 Symmetrize density (0.01216s) stopped
T25 << 1462723568.50385308 Pseudo density (2175.58622s) stopped
T25 >> 1462723568.50391412 Atomic density matrices (403.81519s) started
T25 << 1462723571.17206311 Atomic density matrices (406.48333s) stopped
T25 >> 1462723571.17211103 Multipole moments (1.39845s) started
T25 << 1462723571.18207693 Multipole moments (1.40841s) stopped
T25 >> 1462723571.18213296 Normalize (1.28834s) started
T25 << 1462723571.18909407 Normalize (1.29530s) stopped
T25 >> 1462723571.18915200 Mix (79.95004s) started
T25 << 1462723571.69575500 Mix (80.45664s) stopped
T25 << 1462723571.69582295 Density (2665.24685s) stopped
T25 >> 1462723571.69596410 Hamiltonian (9425.74913s) started
T25 >> 1462723571.69598508 vbar (4.38113s) started
T25 << 1462723571.72530198 vbar (4.41045s) stopped
T25 >> 1462723571.72547412 XC 3D grid (6178.99946s) started
T25 >> 1462723572.22626710 van der Waals (6025.53826s) started
T25 >> 1462723572.35576701 semilocal (1922.54140s) started
T25 << 1462723680.86083698 semilocal (2031.04647s) stopped
T25 >> 1462723680.92617512 redistribute (1128.69742s) started
T25 << 1462723682.22375894 redistribute (1129.99501s) stopped
T25 >> 1462723682.22380090 libvdwxc nonlocal (2941.79424s) started
T25 << 1462723701.45537210 libvdwxc nonlocal (2961.02581s) stopped
T25 >> 1462723701.45544696 redistribute (1129.99504s) started
T25 << 1462723703.45961094 redistribute (1131.99920s) stopped
T25 << 1462723703.46181893 van der Waals (6156.77381s) stopped
T25 << 1462723703.95425701 XC 3D grid (6311.22824s) stopped
T25 >> 1462723703.95429802 Poisson (1460.17419s) started
T25 << 1462723706.89787889 Poisson (1463.11778s) stopped
T25 >> 1462723706.89796400 Hartree integrate/restrict (59.70837s) started
T25 << 1462723706.93997192 Hartree integrate/restrict (59.75038s) stopped
T25 >> 1462723706.94008708 Hartree integrate/restrict (59.75046s) started
T25 << 1462723707.29379606 Hartree integrate/restrict (60.10417s) stopped
T25 >> 1462723707.35308409 Atomic (1422.49762s) started
T25 >> 1462723707.36902690 XC Correction (1103.55189s) started
T25 << 1462723715.84691191 XC Correction (1112.02978s) stopped
T25 << 1462723717.38130093 Atomic (1432.52584s) stopped
T25 >> 1462723717.38156009 Communicate (291.31677s) started
T25 << 1462723718.83866096 Communicate (292.77387s) stopped
T25 << 1462723718.83869195 Hamiltonian (9572.89185s) stopped
T25 >> 1462723718.83887005 LCAO eigensolver (11862.12685s) started
T25 >> 1462723718.83888602 Potential matrix (401.27549s) started
T25 << 1462723721.20660090 Potential matrix (403.64320s) stopped
T25 >> 1462723721.20669198 DistributedAtomicCorrection (166.88039s) started
T25 << 1462723722.20988607 DistributedAtomicCorrection (167.88358s) stopped
T25 >> 1462723722.20992994 Distribute overlap matrix (902.61579s) started
T25 >> 1462723722.20996904 blocked summation (882.05536s) started
T25 << 1462723727.47812700 blocked summation (887.32352s) stopped
T25 >> 1462723727.48698092 Scalapack redistribute (18.95278s) started
T25 << 1462723727.59087896 Scalapack redistribute (19.05668s) stopped
T25 << 1462723727.59094191 Distribute overlap matrix (907.99680s) stopped
T25 >> 1462723727.59571290 Blacs Orbital Layouts (9558.33698s) started
T25 >> 1462723727.60365295 General diagonalize (9518.19314s) started
T25 << 1462723782.93522191 General diagonalize (9573.52471s) stopped
T25 >> 1462723782.93530297 Redistribute coefs (3.21672s) started
T25 << 1462723782.95245099 Redistribute coefs (3.23387s) stopped
T25 >> 1462723782.95249701 Send coefs to domains (35.42895s) started
T25 << 1462723783.05151296 Send coefs to domains (35.52797s) stopped
T25 << 1462723783.05206895 Blacs Orbital Layouts (9613.79334s) stopped
T25 >> 1462723783.05210590 Calculate projections (832.04325s) started
T25 << 1462723787.98132706 Calculate projections (836.97247s) stopped
T25 << 1462723787.98152208 LCAO eigensolver (11931.26950s) stopped
T25 << 1462723789.16756105 SCF-cycle (24391.24894s) stopped
T25 >> 1462723791.88242197 Force calculation (1210.44492s) started
T25 >> 1462723791.88250589 LCAO forces (1086.16416s) started
T25 >> 1462723791.88287497 Initial (0.00031s) started
T25 << 1462723791.88288689 Initial (0.00032s) stopped
T25 >> 1462723791.88868308 Get density matrix (506.76102s) started
T25 << 1462723801.21042895 Get density matrix (516.08277s) stopped
T25 >> 1462723801.21047211 Potential (173.66316s) started
T25 << 1462723813.51099801 Potential (185.96368s) stopped
T25 >> 1462723813.51105809 Get density matrix (516.08280s) started
T25 << 1462723840.47553992 Get density matrix (543.04729s) stopped
T25 >> 1462723840.47559810 Prepare TCI loop (33.94674s) started
T25 >> 1462723840.47614908 Get neighbors (30.55617s) started
T25 << 1462723842.66700196 Get neighbors (32.74702s) stopped
T25 >> 1462723842.66730404 broadcast dH (3.37463s) started
T25 << 1462723842.88883090 broadcast dH (3.59615s) stopped
T25 << 1462723842.88887405 Prepare TCI loop (36.36002s) stopped
T25 >> 1462723842.88889289 Not so complicated loop (145.22327s) started
T25 << 1462723853.33655906 Not so complicated loop (155.67094s) stopped
T25 >> 1462723853.45089602 Complicated loop (224.78560s) started
T25 << 1462723869.56756210 Complicated loop (240.90227s) stopped
T25 >> 1462723869.57129407 Wait for sum (0.00144s) started
T25 << 1462723869.57138491 Wait for sum (0.00153s) stopped
T25 << 1462723869.57139993 LCAO forces (1163.85305s) stopped
T25 << 1462723877.52099895 Force calculation (1296.08350s) stopped
T25 >> 1462723877.54033995 Initialization (1801.35298s) started
T25 << 1462723877.54055095 Initialization (1801.35319s) stopped
T25 >> 1462723877.54082489 Initialization (1801.35321s) started
T25 << 1462723877.54098511 Initialization (1801.35337s) stopped
T25 >> 1462723877.54115105 Initialization (1801.35338s) started
T25 << 1462723877.54131103 Initialization (1801.35354s) stopped
T25 >> 1462723900.88889694 Initialization (1801.35357s) started
T25 >> 1462723901.13002110 Basic WFS set positions (1.84044s) started
T25 >> 1462723901.13004899 Redistribute (0.26713s) started
T25 << 1462723901.13018107 Redistribute (0.26726s) stopped
T25 << 1462723901.25782704 Basic WFS set positions (1.96824s) stopped
T25 >> 1462723901.25785899 Basis functions set positions (28.43618s) started
T25 << 1462723903.34871602 Basis functions set positions (30.52703s) stopped
T25 >> 1462723903.35149407 TCI: Calculate S, T, P (354.43025s) started
T25 << 1462723928.71083403 TCI: Calculate S, T, P (379.78959s) stopped
T25 >> 1462723928.71093011 blocked summation (290.27297s) started
T25 << 1462723952.26138592 blocked summation (313.82342s) stopped
T25 >> 1462723952.27349305 Scalapack redistribute (3.95159s) started
T25 << 1462723952.38444209 Scalapack redistribute (4.06254s) stopped
T25 >> 1462723952.38546610 blocked summation (313.82346s) started
T25 << 1462723953.70841908 blocked summation (315.14641s) stopped
T25 >> 1462723953.71767902 Scalapack redistribute (4.06260s) started
T25 << 1462723953.90349102 Scalapack redistribute (4.24841s) stopped
T25 >> 1462723953.90582299 Redistribute (0.75717s) started
T25 << 1462723953.90703392 Redistribute (0.75838s) stopped
T25 >> 1462723955.89974093 Redistribute (0.75841s) started
T25 << 1462723955.90095711 Redistribute (0.75962s) stopped
T25 >> 1462723955.92221689 LCAO WFS Initialize (1082.54339s) started
T25 >> 1462723955.92227602 Density initialize from wavefunctions (206.58658s) started
T25 >> 1462723955.92707896 Calculate density matrix (140.95716s) started
T25 << 1462723965.91527390 Calculate density matrix (150.94535s) stopped
T25 >> 1462723965.91533303 Construct density (22.84934s) started
T25 << 1462723967.54456902 Construct density (24.47858s) stopped
T25 >> 1462723967.56388092 Symmetrize density (0.00109s) started
T25 << 1462723967.56393695 Symmetrize density (0.00115s) stopped
T25 << 1462723970.58413792 Density initialize from wavefunctions (221.24844s) stopped
T25 >> 1462723970.58486700 Hamiltonian (874.93113s) started
T25 >> 1462723970.58489203 vbar (0.36418s) started
T25 << 1462723970.61129594 vbar (0.39058s) stopped
T25 >> 1462723970.61146998 XC 3D grid (445.07684s) started
T25 >> 1462723971.12123108 van der Waals (430.19909s) started
T25 >> 1462723971.25702310 semilocal (96.72974s) started
T25 << 1462723977.70903897 semilocal (103.18175s) stopped
T25 >> 1462723977.77297711 redistribute (45.14449s) started
T25 << 1462723978.86868811 redistribute (46.24020s) stopped
T25 >> 1462723978.86876011 libvdwxc nonlocal (285.28909s) started
T25 << 1462723997.71162391 libvdwxc nonlocal (304.13196s) stopped
T25 >> 1462723997.71167397 redistribute (46.24024s) started
T25 << 1462723999.40844893 redistribute (47.93701s) stopped
T25 << 1462723999.41079402 van der Waals (458.48865s) stopped
T25 << 1462723999.89274311 XC 3D grid (474.35812s) stopped
T25 >> 1462723999.89278603 Poisson (244.34031s) started
T25 << 1462724011.38017011 Poisson (255.82769s) stopped
T25 >> 1462724011.38028002 Hartree integrate/restrict (5.80553s) started
T25 << 1462724011.42969799 Hartree integrate/restrict (5.85495s) stopped
T25 >> 1462724011.42974710 Hartree integrate/restrict (5.85498s) started
T25 << 1462724011.75462508 Hartree integrate/restrict (6.17986s) stopped
T25 >> 1462724011.81498408 Atomic (159.31152s) started
T25 >> 1462724011.83091092 XC Correction (118.78982s) started
T25 << 1462724021.32725191 XC Correction (128.28616s) stopped
T25 << 1462724024.10359907 Atomic (171.60013s) stopped
T25 >> 1462724024.10394692 Communicate (19.10703s) started
T25 << 1462724024.68448210 Communicate (19.68756s) stopped
T25 << 1462724024.68450594 Hamiltonian (929.03077s) stopped
T25 << 1462724024.68456411 LCAO WFS Initialize (1151.30574s) stopped
T25 << 1462724024.69679809 Initialization (1925.16147s) stopped
T25 >> 1462724024.72558689 SCF-cycle (24391.24896s) started
T25 >> 1462724024.72563291 LCAO eigensolver (11931.26952s) started
T25 >> 1462724024.72564602 Potential matrix (403.64326s) started
T25 << 1462724027.09756708 Potential matrix (406.01518s) stopped
T25 >> 1462724027.09765196 DistributedAtomicCorrection (167.88362s) started
T25 << 1462724028.14396906 DistributedAtomicCorrection (168.92994s) stopped
T25 >> 1462724028.14401293 Distribute overlap matrix (907.99682s) started
T25 >> 1462724028.14405489 blocked summation (887.32355s) started
T25 << 1462724033.76553893 blocked summation (892.94504s) stopped
T25 >> 1462724033.77481294 Scalapack redistribute (19.05672s) started
T25 << 1462724033.87861300 Scalapack redistribute (19.16052s) stopped
T25 << 1462724033.87869310 Distribute overlap matrix (913.73150s) stopped
T25 >> 1462724033.88318801 Blacs Orbital Layouts (9613.79336s) started
T25 >> 1462724033.89091396 General diagonalize (9573.52478s) started
T25 << 1462724090.77832699 General diagonalize (9630.41219s) stopped
T25 >> 1462724090.77837491 Redistribute coefs (3.23390s) started
T25 << 1462724090.79327393 Redistribute coefs (3.24880s) stopped
T25 >> 1462724090.79331589 Send coefs to domains (35.52800s) started
T25 << 1462724090.88349509 Send coefs to domains (35.61818s) stopped
T25 << 1462724090.88381195 Blacs Orbital Layouts (9670.79399s) stopped
T25 >> 1462724090.88383889 Calculate projections (836.97253s) started
T25 << 1462724095.81838703 Calculate projections (841.90708s) stopped
T25 << 1462724095.81875491 LCAO eigensolver (12002.36264s) stopped
T25 >> 1462724096.90806007 Density (2665.24686s) started
T25 >> 1462724096.90807509 Pseudo density (2175.58627s) started
T25 >> 1462724096.90978193 Calculate density matrix (1915.00647s) started
T25 << 1462724109.57993102 Calculate density matrix (1927.67662s) stopped
T25 >> 1462724109.57998991 Construct density (253.41390s) started
T25 << 1462724111.19639802 Construct density (255.03031s) stopped
T25 >> 1462724111.21013093 Symmetrize density (0.01217s) started
T25 << 1462724111.21019101 Symmetrize density (0.01223s) stopped
T25 << 1462724111.21223092 Pseudo density (2189.89042s) stopped
T25 >> 1462724111.21228600 Atomic density matrices (406.48336s) started
T25 << 1462724113.91379404 Atomic density matrices (409.18487s) stopped
T25 >> 1462724113.91384101 Multipole moments (1.40843s) started
T25 << 1462724113.92288709 Multipole moments (1.41747s) stopped
T25 >> 1462724113.92294192 Normalize (1.29534s) started
T25 << 1462724113.93031693 Normalize (1.30272s) stopped
T25 >> 1462724113.93037200 Mix (80.45671s) started
T25 << 1462724114.38318491 Mix (80.90952s) stopped
T25 << 1462724114.38337708 Density (2682.72218s) stopped
T25 >> 1462724114.38354397 Hamiltonian (9572.89187s) started
T25 >> 1462724114.38356304 vbar (4.41055s) started
T25 << 1462724114.40802193 vbar (4.43500s) stopped
T25 >> 1462724114.40815091 XC 3D grid (6311.22827s) started
T25 >> 1462724114.90692496 van der Waals (6156.77392s) started
T25 >> 1462724115.04380012 semilocal (2031.04657s) started
T25 << 1462724121.45182204 semilocal (2037.45460s) stopped
T25 >> 1462724121.52284193 redistribute (1131.99933s) started
T25 << 1462724122.56765699 redistribute (1133.04414s) stopped
T25 >> 1462724122.56771302 libvdwxc nonlocal (2961.02586s) started
T25 << 1462724141.38994694 libvdwxc nonlocal (2979.84810s) stopped
T25 >> 1462724141.39001608 redistribute (1133.04418s) started
T25 << 1462724143.00428104 redistribute (1134.65845s) stopped
T25 << 1462724143.00579190 van der Waals (6184.87279s) stopped
T25 << 1462724143.48234797 XC 3D grid (6340.30247s) stopped
T25 >> 1462724143.48238993 Poisson (1463.11784s) started
T25 << 1462724149.19258189 Poisson (1468.82803s) stopped
T25 >> 1462724149.19270301 Hartree integrate/restrict (60.10421s) started
T25 << 1462724149.24175406 Hartree integrate/restrict (60.15326s) stopped
T25 >> 1462724149.24181008 Hartree integrate/restrict (60.15330s) started
T25 << 1462724149.56372094 Hartree integrate/restrict (60.47521s) stopped
T25 >> 1462724149.62272406 Atomic (1432.52586s) started
T25 >> 1462724149.63791108 XC Correction (1112.02981s) started
T25 << 1462724158.71748590 XC Correction (1121.10938s) stopped
T25 << 1462724161.67822194 Atomic (1444.58136s) stopped
T25 >> 1462724161.67852592 Communicate (292.77389s) started
T25 << 1462724161.95412707 Communicate (293.04949s) stopped
T25 << 1462724161.95415211 Hamiltonian (9620.46248s) stopped
T25 >> 1462724161.95424795 LCAO eigensolver (12002.36266s) started
T25 >> 1462724161.95426297 Potential matrix (406.01523s) started
T25 << 1462724164.33054590 Potential matrix (408.39151s) stopped
T25 >> 1462724164.33063698 DistributedAtomicCorrection (168.92997s) started
T25 << 1462724165.30376697 DistributedAtomicCorrection (169.90310s) stopped
T25 >> 1462724165.30380988 Distribute overlap matrix (913.73151s) started
T25 >> 1462724165.30384493 blocked summation (892.94507s) started
T25 << 1462724170.62656689 blocked summation (898.26779s) stopped
T25 >> 1462724170.63590503 Scalapack redistribute (19.16058s) started
T25 << 1462724170.74121499 Scalapack redistribute (19.26589s) stopped
T25 << 1462724170.74129009 Distribute overlap matrix (919.16899s) stopped
T25 >> 1462724170.74828792 Blacs Orbital Layouts (9670.79400s) started
T25 >> 1462724170.75702596 General diagonalize (9630.41223s) started
T25 << 1462724225.24864793 General diagonalize (9684.90385s) stopped
T25 >> 1462724225.24869800 Redistribute coefs (3.24883s) started
T25 << 1462724225.26383209 Redistribute coefs (3.26397s) stopped
T25 >> 1462724225.26387405 Send coefs to domains (35.61822s) started
T25 << 1462724225.40716290 Send coefs to domains (35.76151s) stopped
T25 << 1462724225.40764689 Blacs Orbital Layouts (9725.45336s) stopped
T25 >> 1462724225.40768695 Calculate projections (841.90713s) started
T25 << 1462724230.33070207 Calculate projections (846.83014s) stopped
T25 << 1462724230.33104491 LCAO eigensolver (12070.73946s) stopped
T25 >> 1462724231.50070405 Density (2682.72221s) started
T25 >> 1462724231.50071907 Pseudo density (2189.89047s) started
T25 >> 1462724231.50216103 Calculate density matrix (1927.67666s) started
T25 << 1462724244.14715791 Calculate density matrix (1940.32166s) stopped
T25 >> 1462724244.14722204 Construct density (255.03036s) started
T25 << 1462724245.76858211 Construct density (256.65172s) stopped
T25 >> 1462724245.88483405 Symmetrize density (0.01225s) started
T25 << 1462724245.88489389 Symmetrize density (0.01231s) stopped
T25 << 1462724245.88691998 Pseudo density (2204.27667s) stopped
T25 >> 1462724245.88697696 Atomic density matrices (409.18489s) started
T25 << 1462724248.49153399 Atomic density matrices (411.78945s) stopped
T25 >> 1462724248.49158096 Multipole moments (1.41749s) started
T25 << 1462724248.50094795 Multipole moments (1.42686s) stopped
T25 >> 1462724248.50100589 Normalize (1.30276s) started
T25 << 1462724248.50838089 Normalize (1.31014s) stopped
T25 >> 1462724248.50842810 Mix (80.90971s) started
T25 << 1462724248.94869709 Mix (81.34998s) stopped
T25 << 1462724248.94880891 Density (2700.17031s) stopped
T25 >> 1462724248.94896698 Hamiltonian (9620.46249s) started
T25 >> 1462724248.94898391 vbar (4.43508s) started
T25 << 1462724248.97532392 vbar (4.46142s) stopped
T25 >> 1462724248.97545004 XC 3D grid (6340.30250s) started
T25 >> 1462724249.48503399 van der Waals (6184.87288s) started
T25 >> 1462724249.61941409 semilocal (2037.45468s) started
T25 << 1462724255.99496603 semilocal (2043.83023s) stopped
T25 >> 1462724256.06714797 redistribute (1134.65850s) started
T25 << 1462724257.50209808 redistribute (1136.09345s) stopped
T25 >> 1462724257.50215292 libvdwxc nonlocal (2979.84815s) started
T25 << 1462724276.37701011 libvdwxc nonlocal (2998.72301s) stopped
T25 >> 1462724276.37707901 redistribute (1136.09350s) started
T25 << 1462724278.01958108 redistribute (1137.73600s) stopped
T25 << 1462724278.02188993 van der Waals (6213.40974s) stopped
T25 << 1462724278.50144291 XC 3D grid (6369.82850s) stopped
T25 >> 1462724278.50148296 Poisson (1468.82812s) started
T25 << 1462724284.24687004 Poisson (1474.57351s) stopped
T25 >> 1462724284.24696898 Hartree integrate/restrict (60.47528s) started
T25 << 1462724284.29549003 Hartree integrate/restrict (60.52380s) stopped
T25 >> 1462724284.29553890 Hartree integrate/restrict (60.52383s) started
T25 << 1462724284.61916304 Hartree integrate/restrict (60.84745s) stopped
T25 >> 1462724284.67756200 Atomic (1444.58139s) started
T25 >> 1462724284.69256806 XC Correction (1121.10941s) started
T25 << 1462724293.12157297 XC Correction (1129.53841s) stopped
T25 << 1462724295.84922600 Atomic (1455.75305s) stopped
T25 >> 1462724295.84949303 Communicate (293.04951s) started
T25 << 1462724297.02951908 Communicate (294.22953s) stopped
T25 << 1462724297.02954507 Hamiltonian (9668.54307s) stopped
T25 >> 1462724297.02963996 LCAO eigensolver (12070.73948s) started
T25 >> 1462724297.02965498 Potential matrix (408.39156s) started
T25 << 1462724299.39387894 Potential matrix (410.75579s) stopped
T25 >> 1462724299.39397192 DistributedAtomicCorrection (169.90314s) started
T25 << 1462724300.36547995 DistributedAtomicCorrection (170.87465s) stopped
T25 >> 1462724300.36552405 Distribute overlap matrix (919.16900s) started
T25 >> 1462724300.36555910 blocked summation (898.26783s) started
T25 << 1462724305.75392008 blocked summation (903.65619s) stopped
T25 >> 1462724305.76352096 Scalapack redistribute (19.26593s) started
T25 << 1462724305.87087989 Scalapack redistribute (19.37329s) stopped
T25 << 1462724305.87098598 Distribute overlap matrix (924.67446s) stopped
T25 >> 1462724305.87818193 Blacs Orbital Layouts (9725.45338s) started
T25 >> 1462724305.88786697 General diagonalize (9684.90390s) started
T25 << 1462724361.56541610 General diagonalize (9740.58144s) stopped
T25 >> 1462724361.56546593 Redistribute coefs (3.26400s) started
T25 << 1462724361.58082008 Redistribute coefs (3.27936s) stopped
T25 >> 1462724361.58086300 Send coefs to domains (35.76155s) started
T25 << 1462724361.67913198 Send coefs to domains (35.85982s) stopped
T25 << 1462724361.67966604 Blacs Orbital Layouts (9781.25487s) stopped
T25 >> 1462724361.67969608 Calculate projections (846.83020s) started
T25 << 1462724366.60984302 Calculate projections (851.76034s) stopped
T25 << 1462724366.61017704 LCAO eigensolver (12140.32002s) stopped
T25 >> 1462724367.73085403 Density (2700.17033s) started
T25 >> 1462724367.73086905 Pseudo density (2204.27671s) started
T25 >> 1462724367.73260808 Calculate density matrix (1940.32170s) started
T25 << 1462724380.37446904 Calculate density matrix (1952.96356s) stopped
T25 >> 1462724380.37452888 Construct density (256.65178s) started
T25 << 1462724382.00054097 Construct density (258.27779s) stopped
T25 >> 1462724382.01363993 Symmetrize density (0.01233s) started
T25 << 1462724382.01373005 Symmetrize density (0.01242s) stopped
T25 << 1462724382.01577997 Pseudo density (2218.56162s) stopped
T25 >> 1462724382.01583600 Atomic density matrices (411.78948s) started
T25 << 1462724384.72615194 Atomic density matrices (414.49979s) stopped
T25 >> 1462724384.72620106 Multipole moments (1.42688s) started
T25 << 1462724384.73589396 Multipole moments (1.43657s) stopped
T25 >> 1462724384.73594904 Normalize (1.31017s) started
T25 << 1462724384.74326801 Normalize (1.31749s) stopped
T25 >> 1462724384.74331594 Mix (81.35008s) started
T25 << 1462724385.19836402 Mix (81.80513s) stopped
T25 << 1462724385.19847298 Density (2717.63795s) stopped
T25 >> 1462724385.19862509 Hamiltonian (9668.54308s) started
T25 >> 1462724385.19864297 vbar (4.46149s) started
T25 << 1462724385.22586703 vbar (4.48871s) stopped
T25 >> 1462724385.22594810 XC 3D grid (6369.82853s) started
T25 >> 1462724385.73378801 van der Waals (6213.40986s) started
T25 >> 1462724385.86804509 semilocal (2043.83034s) started
T25 << 1462724392.43311501 semilocal (2050.39541s) stopped
T25 >> 1462724392.50510192 redistribute (1137.73611s) started
T25 << 1462724393.57211590 redistribute (1138.80312s) stopped
T25 >> 1462724393.57216001 libvdwxc nonlocal (2998.72306s) started
T25 << 1462724412.47619796 libvdwxc nonlocal (3017.62710s) stopped
T25 >> 1462724412.47626495 redistribute (1138.80316s) started
T25 << 1462724414.14619803 redistribute (1140.47309s) stopped
T25 << 1462724414.14769506 van der Waals (6241.82376s) stopped
T25 << 1462724414.62644506 XC 3D grid (6399.22903s) stopped
T25 >> 1462724414.62648892 Poisson (1474.57359s) started
T25 << 1462724420.38541889 Poisson (1480.33252s) stopped
T25 >> 1462724420.38549590 Hartree integrate/restrict (60.84751s) started
T25 << 1462724420.43425798 Hartree integrate/restrict (60.89627s) stopped
T25 >> 1462724420.43432999 Hartree integrate/restrict (60.89632s) started
T25 << 1462724420.75735307 Hartree integrate/restrict (61.21934s) stopped
T25 >> 1462724420.81473303 Atomic (1455.75307s) started
T25 >> 1462724420.82978201 XC Correction (1129.53844s) started
T25 << 1462724429.26868606 XC Correction (1137.97734s) stopped
T25 << 1462724431.46329594 Atomic (1466.40164s) stopped
T25 >> 1462724431.46359205 Communicate (294.22955s) started
T25 << 1462724433.19453001 Communicate (295.96049s) stopped
T25 << 1462724433.19455910 Hamiltonian (9716.53902s) stopped
T25 >> 1462724433.19466710 LCAO eigensolver (12140.32003s) started
T25 >> 1462724433.19468307 Potential matrix (410.75584s) started
T25 << 1462724435.57869792 Potential matrix (413.13986s) stopped
T25 >> 1462724435.57878900 DistributedAtomicCorrection (170.87468s) started
T25 << 1462724436.56046796 DistributedAtomicCorrection (171.85636s) stopped
T25 >> 1462724436.56051207 Distribute overlap matrix (924.67448s) started
T25 >> 1462724436.56054711 blocked summation (903.65623s) started
T25 << 1462724441.90259004 blocked summation (908.99827s) stopped
T25 >> 1462724441.91204906 Scalapack redistribute (19.37336s) started
T25 << 1462724442.03378391 Scalapack redistribute (19.49509s) stopped
T25 << 1462724442.03388095 Distribute overlap matrix (930.14785s) stopped
T25 >> 1462724442.03913808 Blacs Orbital Layouts (9781.25489s) started
T25 >> 1462724442.04729795 General diagonalize (9740.58148s) started
T25 << 1462724499.68081498 General diagonalize (9798.21500s) stopped
T25 >> 1462724499.68086505 Redistribute coefs (3.27939s) started
T25 << 1462724499.69588304 Redistribute coefs (3.29441s) stopped
T25 >> 1462724499.69592810 Send coefs to domains (35.85988s) started
T25 << 1462724500.04476595 Send coefs to domains (36.20872s) stopped
T25 << 1462724500.04531503 Blacs Orbital Layouts (9839.26106s) stopped
T25 >> 1462724500.04534507 Calculate projections (851.76039s) started
T25 << 1462724504.98277593 Calculate projections (856.69782s) stopped
T25 << 1462724504.98311996 LCAO eigensolver (12212.10849s) stopped
T25 >> 1462724506.11479402 Density (2717.63797s) started
T25 >> 1462724506.11480999 Pseudo density (2218.56167s) started
T25 >> 1462724506.11628795 Calculate density matrix (1952.96360s) started
T25 << 1462724518.77308106 Calculate density matrix (1965.62039s) stopped
T25 >> 1462724518.77314305 Construct density (258.27785s) started
T25 << 1462724520.39193702 Construct density (259.89664s) stopped
T25 >> 1462724520.40476203 Symmetrize density (0.01244s) started
T25 << 1462724520.40481997 Symmetrize density (0.01250s) stopped
T25 << 1462724520.40685701 Pseudo density (2232.85372s) stopped
T25 >> 1462724520.40691090 Atomic density matrices (414.49982s) started
T25 << 1462724523.10285091 Atomic density matrices (417.19576s) stopped
T25 >> 1462724523.10289907 Multipole moments (1.43659s) started
T25 << 1462724523.11009908 Multipole moments (1.44379s) stopped
T25 >> 1462724523.11015296 Normalize (1.31752s) started
T25 << 1462724523.11734104 Normalize (1.32471s) stopped
T25 >> 1462724523.11740899 Mix (81.80524s) started
T25 << 1462724523.62103605 Mix (82.30886s) stopped
T25 << 1462724523.62107897 Density (2735.14425s) stopped
T25 >> 1462724523.62119508 Hamiltonian (9716.53903s) started
T25 >> 1462724523.62121201 vbar (4.48875s) started
T25 << 1462724523.64665508 vbar (4.51419s) stopped
T25 >> 1462724523.64682603 XC 3D grid (6399.22906s) started
T25 >> 1462724524.14422011 van der Waals (6241.82382s) started
T25 >> 1462724524.27611709 semilocal (2050.39551s) started
T25 << 1462724531.05554199 semilocal (2057.17493s) stopped
T25 >> 1462724531.13218403 redistribute (1140.47317s) started
T25 << 1462724575.24044490 redistribute (1184.58143s) stopped
T25 >> 1462724575.24049091 libvdwxc nonlocal (3017.62715s) started
T25 << 1462724594.18401194 libvdwxc nonlocal (3036.57067s) stopped
T25 >> 1462724594.18408608 redistribute (1184.58147s) started
T25 << 1462724595.95884395 redistribute (1186.35623s) stopped
T25 << 1462724595.96108699 van der Waals (6313.64069s) stopped
T25 << 1462724596.43553495 XC 3D grid (6472.01777s) stopped
T25 >> 1462724596.43558002 Poisson (1480.33257s) started
T25 << 1462724603.58414507 Poisson (1487.48114s) stopped
T25 >> 1462724603.58420992 Hartree integrate/restrict (61.21938s) started
T25 << 1462724603.63309789 Hartree integrate/restrict (61.26827s) stopped
T25 >> 1462724603.63314104 Hartree integrate/restrict (61.26829s) started
T25 << 1462724603.95969605 Hartree integrate/restrict (61.59485s) stopped
T25 >> 1462724604.01874995 Atomic (1466.40166s) started
T25 >> 1462724604.03376007 XC Correction (1137.97737s) started
T25 << 1462724612.40292311 XC Correction (1146.34653s) stopped
T25 << 1462724614.58059502 Atomic (1476.96350s) stopped
T25 >> 1462724614.58083797 Communicate (295.96051s) started
T25 << 1462724616.47597909 Communicate (297.85565s) stopped
T25 << 1462724616.47600508 Hamiltonian (9809.39384s) stopped
T25 >> 1462724616.47609901 LCAO eigensolver (12212.10851s) started
T25 >> 1462724616.47611499 Potential matrix (413.13991s) started
T25 << 1462724618.83523107 Potential matrix (415.49903s) stopped
T25 >> 1462724618.83532000 DistributedAtomicCorrection (171.85640s) started
T25 << 1462724619.81263304 DistributedAtomicCorrection (172.83371s) stopped
T25 >> 1462724619.81267595 Distribute overlap matrix (930.14786s) started
T25 >> 1462724619.81271005 blocked summation (908.99830s) started
T25 << 1462724625.19588590 blocked summation (914.38148s) stopped
T25 >> 1462724625.20575905 Scalapack redistribute (19.49515s) started
T25 << 1462724625.29578304 Scalapack redistribute (19.58518s) stopped
T25 << 1462724625.29587698 Distribute overlap matrix (935.63106s) stopped
T25 >> 1462724625.30008698 Blacs Orbital Layouts (9839.26108s) started
T25 >> 1462724625.30799890 General diagonalize (9798.21504s) started
T25 << 1462724683.31827092 General diagonalize (9856.22532s) stopped
T25 >> 1462724683.31831908 Redistribute coefs (3.29444s) started
T25 << 1462724683.33448195 Redistribute coefs (3.31060s) stopped
T25 >> 1462724683.33452511 Send coefs to domains (36.20876s) started
T25 << 1462724683.46716905 Send coefs to domains (36.34140s) stopped
T25 << 1462724683.46771193 Blacs Orbital Layouts (9897.42871s) stopped
T25 >> 1462724683.46774006 Calculate projections (856.69788s) started
T25 << 1462724688.43121290 Calculate projections (861.66135s) stopped
T25 << 1462724688.43159509 LCAO eigensolver (12284.06400s) stopped
T25 >> 1462724689.68293691 Density (2735.14427s) started
T25 >> 1462724689.68295288 Pseudo density (2232.85376s) started
T25 >> 1462724689.68475890 Calculate density matrix (1965.62044s) started
T25 << 1462724702.44663405 Calculate density matrix (1978.38231s) stopped
T25 >> 1462724702.44669199 Construct density (259.89669s) started
T25 << 1462724704.07185411 Construct density (261.52185s) stopped
T25 >> 1462724704.08600307 Symmetrize density (0.01252s) started
T25 << 1462724704.08606696 Symmetrize density (0.01258s) stopped
T25 << 1462724704.08837295 Pseudo density (2247.25918s) stopped
T25 >> 1462724704.08843398 Atomic density matrices (417.19578s) started
T25 << 1462724706.78214788 Atomic density matrices (419.88950s) stopped
T25 >> 1462724706.78219604 Multipole moments (1.44380s) started
T25 << 1462724706.78991294 Multipole moments (1.45152s) stopped
T25 >> 1462724706.78996992 Normalize (1.32476s) started
T25 << 1462724706.80311990 Normalize (1.33791s) stopped
T25 >> 1462724706.80318904 Mix (82.30891s) started
T25 << 1462724707.37448096 Mix (82.88020s) stopped
T25 << 1462724707.37457895 Density (2752.83591s) stopped
T25 >> 1462724707.37472391 Hamiltonian (9809.39386s) started
T25 >> 1462724707.37474394 vbar (4.51429s) started
T25 << 1462724707.40322495 vbar (4.54277s) stopped
T25 >> 1462724707.40338802 XC 3D grid (6472.01781s) started
T25 >> 1462724707.90059996 van der Waals (6313.64079s) started
T25 >> 1462724708.03460002 semilocal (2057.17502s) started
T25 << 1462725245.80573606 semilocal (2594.94616s) stopped
T25 >> 1462725245.87358308 redistribute (1186.35634s) started
T25 << 1462725246.79995990 redistribute (1187.28272s) stopped
T25 >> 1462725246.80000806 libvdwxc nonlocal (3036.57072s) started
T25 << 1462725265.54630995 libvdwxc nonlocal (3055.31703s) stopped
T25 >> 1462725265.54637790 redistribute (1187.28276s) started
T25 << 1462725267.50948000 redistribute (1189.24586s) stopped
T25 << 1462725267.51144695 van der Waals (6873.25163s) stopped
T25 << 1462725267.99996710 XC 3D grid (7032.61438s) stopped
T25 >> 1462725268.00001407 Poisson (1487.48119s) started
T25 << 1462725273.80960608 Poisson (1493.29078s) stopped
T25 >> 1462725273.80967593 Hartree integrate/restrict (61.59490s) started
T25 << 1462725273.84891796 Hartree integrate/restrict (61.63414s) stopped
T25 >> 1462725273.84903193 Hartree integrate/restrict (61.63422s) started
T25 << 1462725274.19470191 Hartree integrate/restrict (61.97989s) stopped
T25 >> 1462725274.25270391 Atomic (1476.96353s) started
T25 >> 1462725274.26793003 XC Correction (1146.34656s) started
T25 << 1462725282.67146611 XC Correction (1154.75009s) stopped
T25 << 1462725284.84748197 Atomic (1487.55830s) stopped
T25 >> 1462725284.84771109 Communicate (297.85566s) started
T25 << 1462725286.67314601 Communicate (299.68110s) stopped
T25 << 1462725286.67317295 Hamiltonian (10388.69231s) stopped
T25 >> 1462725286.67327595 LCAO eigensolver (12284.06402s) started
T25 >> 1462725286.67329192 Potential matrix (415.49908s) started
T25 << 1462725289.05740595 Potential matrix (417.88319s) stopped
T25 >> 1462725289.05750608 DistributedAtomicCorrection (172.83375s) started
T25 << 1462725290.02568197 DistributedAtomicCorrection (173.80192s) stopped
T25 >> 1462725290.02573109 Distribute overlap matrix (935.63107s) started
T25 >> 1462725290.02576709 blocked summation (914.38151s) started
T25 << 1462725295.32850695 blocked summation (919.68425s) stopped
T25 >> 1462725295.33741689 Scalapack redistribute (19.58524s) started
T25 << 1462725295.44084406 Scalapack redistribute (19.68866s) stopped
T25 << 1462725295.44097209 Distribute overlap matrix (941.04631s) stopped
T25 >> 1462725295.44666600 Blacs Orbital Layouts (9897.42873s) started
T25 >> 1462725295.45456505 General diagonalize (9856.22535s) started
T25 << 1462725353.09535003 General diagonalize (9913.86614s) stopped
T25 >> 1462725353.09539604 Redistribute coefs (3.31064s) started
T25 << 1462725353.11065698 Redistribute coefs (3.32590s) stopped
T25 >> 1462725353.11069989 Send coefs to domains (36.34144s) started
T25 << 1462725353.41915011 Send coefs to domains (36.64989s) stopped
T25 << 1462725353.41979694 Blacs Orbital Layouts (9955.40186s) stopped
T25 >> 1462725353.41982603 Calculate projections (861.66141s) started
T25 << 1462725358.37256694 Calculate projections (866.61415s) stopped
T25 << 1462725358.37274790 LCAO eigensolver (12355.76349s) stopped
T25 >> 1462725359.49782801 Density (2752.83593s) started
T25 >> 1462725359.49784207 Pseudo density (2247.25923s) started
T25 >> 1462725359.49953008 Calculate density matrix (1978.38235s) started
T25 << 1462725372.20001411 Calculate density matrix (1991.08283s) stopped
T25 >> 1462725372.20006895 Construct density (261.52191s) started
T25 << 1462725373.81834006 Construct density (263.14018s) stopped
T25 >> 1462725373.83169103 Symmetrize density (0.01260s) started
T25 << 1462725373.83175492 Symmetrize density (0.01266s) stopped
T25 << 1462725373.83405590 Pseudo density (2261.59544s) stopped
T25 >> 1462725373.83411789 Atomic density matrices (419.88952s) started
T25 << 1462725376.54958606 Atomic density matrices (422.60499s) stopped
T25 >> 1462725376.54963398 Multipole moments (1.45154s) started
T25 << 1462725376.55731702 Multipole moments (1.45922s) stopped
T25 >> 1462725376.55737400 Normalize (1.33796s) started
T25 << 1462725376.56930709 Normalize (1.34990s) stopped
T25 >> 1462725376.56942296 Mix (82.88029s) started
T25 << 1462725377.13125992 Mix (83.44213s) stopped
T25 << 1462725377.13136292 Density (2770.46946s) stopped
T25 >> 1462725377.13150597 Hamiltonian (10388.69232s) started
T25 >> 1462725377.13152599 vbar (4.54286s) started
T25 << 1462725377.15965390 vbar (4.57099s) stopped
T25 >> 1462725377.15977597 XC 3D grid (7032.61442s) started
T25 >> 1462725377.65707588 van der Waals (6873.25173s) started
T25 >> 1462725377.79456806 semilocal (2594.94622s) started
T25 << 1462725384.53824902 semilocal (2601.68991s) stopped
T25 >> 1462725384.60388088 redistribute (1189.24597s) started
T25 << 1462725385.89869595 redistribute (1190.54078s) stopped
T25 >> 1462725385.89874291 libvdwxc nonlocal (3055.31708s) started
T25 << 1462725404.44466090 libvdwxc nonlocal (3073.86300s) stopped
T25 >> 1462725404.44472790 redistribute (1190.54082s) started
T25 << 1462725406.28010201 redistribute (1192.37619s) stopped
T25 << 1462725406.28239393 van der Waals (6901.87705s) stopped
T25 << 1462725406.75568104 XC 3D grid (7062.21033s) stopped
T25 >> 1462725406.75571990 Poisson (1493.29083s) started
T25 << 1462725411.15780091 Poisson (1497.69291s) stopped
T25 >> 1462725411.15787101 Hartree integrate/restrict (61.97993s) started
T25 << 1462725411.21583200 Hartree integrate/restrict (62.03789s) stopped
T25 >> 1462725411.21589208 Hartree integrate/restrict (62.03793s) started
T25 << 1462725411.56936193 Hartree integrate/restrict (62.39140s) stopped
T25 >> 1462725411.62685108 Atomic (1487.55832s) started
T25 >> 1462725411.64220405 XC Correction (1154.75011s) started
T25 << 1462725420.06127596 XC Correction (1163.16919s) stopped
T25 << 1462725422.23521209 Atomic (1498.16668s) stopped
T25 >> 1462725422.23543310 Communicate (299.68111s) started
T25 << 1462725423.79497600 Communicate (301.24066s) stopped
T25 << 1462725423.79500103 Hamiltonian (10435.35581s) stopped
T25 >> 1462725423.79509497 LCAO eigensolver (12355.76351s) started
T25 >> 1462725423.79510999 Potential matrix (417.88325s) started
T25 << 1462725426.16514206 Potential matrix (420.25328s) stopped
T25 >> 1462725426.16524100 DistributedAtomicCorrection (173.80196s) started
T25 << 1462725427.11721611 DistributedAtomicCorrection (174.75394s) stopped
T25 >> 1462725427.11726499 Distribute overlap matrix (941.04633s) started
T25 >> 1462725427.11730003 blocked summation (919.68429s) started
T25 << 1462725432.49213290 blocked summation (925.05912s) stopped
T25 >> 1462725432.50157809 Scalapack redistribute (19.68874s) started
T25 << 1462725432.62293792 Scalapack redistribute (19.81010s) stopped
T25 << 1462725432.62301898 Distribute overlap matrix (946.55208s) stopped
T25 >> 1462725432.62803888 Blacs Orbital Layouts (9955.40188s) started
T25 >> 1462725432.63639498 General diagonalize (9913.86617s) started
T25 << 1462725490.17446804 General diagonalize (9971.40425s) stopped
T25 >> 1462725490.17451501 Redistribute coefs (3.32593s) started
T25 << 1462725490.19114208 Redistribute coefs (3.34256s) stopped
T25 >> 1462725490.19118404 Send coefs to domains (36.64992s) started
T25 << 1462725490.39140511 Send coefs to domains (36.85014s) stopped
T25 << 1462725490.39201403 Blacs Orbital Layouts (10013.16585s) stopped
T25 >> 1462725490.39204407 Calculate projections (866.61421s) started
T25 << 1462725495.34702897 Calculate projections (871.56919s) stopped
T25 << 1462725495.34737301 LCAO eigensolver (12427.31579s) stopped
T25 >> 1462725496.40931797 Density (2770.46948s) started
T25 >> 1462725496.40933108 Pseudo density (2261.59549s) started
T25 >> 1462725496.41107392 Calculate density matrix (1991.08287s) started
T25 << 1462725509.26341701 Calculate density matrix (2003.93521s) stopped
T25 >> 1462725509.26347399 Construct density (263.14024s) started
T25 << 1462725510.88571692 Construct density (264.76248s) stopped
T25 >> 1462725510.89927506 Symmetrize density (0.01268s) started
T25 << 1462725510.89933801 Symmetrize density (0.01274s) stopped
T25 << 1462725510.90164399 Pseudo density (2276.08780s) stopped
T25 >> 1462725510.90170693 Atomic density matrices (422.60502s) started
T25 << 1462725513.61971903 Atomic density matrices (425.32303s) stopped
T25 >> 1462725513.61976790 Multipole moments (1.45924s) started
T25 << 1462725513.62790489 Multipole moments (1.46738s) stopped
T25 >> 1462725513.62796211 Normalize (1.34999s) started
T25 << 1462725513.63877201 Normalize (1.36080s) stopped
T25 >> 1462725513.63889289 Mix (83.44223s) started
T25 << 1462725514.15780711 Mix (83.96114s) stopped
T25 << 1462725514.15789509 Density (2788.21805s) stopped
T25 >> 1462725514.15803599 Hamiltonian (10435.35583s) started
T25 >> 1462725514.15805602 vbar (4.57106s) started
T25 << 1462725514.19247389 vbar (4.60548s) stopped
T25 >> 1462725514.19262600 XC 3D grid (7062.21036s) started
T25 >> 1462725514.67938805 van der Waals (6901.87716s) started
T25 >> 1462725514.80890989 semilocal (2601.69001s) started
T25 << 1462725521.43124700 semilocal (2608.31234s) stopped
T25 >> 1462725521.50452304 redistribute (1192.37632s) started
T25 << 1462725526.27698588 redistribute (1197.14878s) stopped
T25 >> 1462725526.27702904 libvdwxc nonlocal (3073.86305s) started
T25 << 1462725544.96370697 libvdwxc nonlocal (3092.54973s) stopped
T25 >> 1462725544.96377897 redistribute (1197.14881s) started
T25 << 1462725546.97751689 redistribute (1199.16255s) stopped
T25 << 1462725546.97884607 van der Waals (6934.17662s) stopped
T25 << 1462725547.45304394 XC 3D grid (7095.47077s) stopped
T25 >> 1462725547.45308900 Poisson (1497.69296s) started
T25 << 1462725551.90365100 Poisson (1502.14352s) stopped
T25 >> 1462725551.90372205 Hartree integrate/restrict (62.39143s) started
T25 << 1462725551.94649506 Hartree integrate/restrict (62.43421s) stopped
T25 >> 1462725551.94658089 Hartree integrate/restrict (62.43426s) started
T25 << 1462725552.28820395 Hartree integrate/restrict (62.77588s) stopped
T25 >> 1462725552.34405804 Atomic (1498.16670s) started
T25 >> 1462725552.35938406 XC Correction (1163.16921s) started
T25 << 1462725560.79237103 XC Correction (1171.60220s) stopped
T25 << 1462725562.96455193 Atomic (1508.78720s) stopped
T25 >> 1462725562.96480989 Communicate (301.24067s) started
T25 << 1462725564.46750093 Communicate (302.74336s) stopped
T25 << 1462725564.46752596 Hamiltonian (10485.66532s) stopped
T25 >> 1462725564.46762109 LCAO eigensolver (12427.31580s) started
T25 >> 1462725564.46763706 Potential matrix (420.25334s) started
T25 << 1462725566.83003592 Potential matrix (422.61574s) stopped
T25 >> 1462725566.83013701 DistributedAtomicCorrection (174.75398s) started
T25 << 1462725567.79557896 DistributedAtomicCorrection (175.71942s) stopped
T25 >> 1462725567.79562902 Distribute overlap matrix (946.55212s) started
T25 >> 1462725567.79566598 blocked summation (925.05915s) started
T25 << 1462725573.14437890 blocked summation (930.40786s) stopped
T25 >> 1462725573.15391397 Scalapack redistribute (19.81015s) started
T25 << 1462725573.27328610 Scalapack redistribute (19.92952s) stopped
T25 << 1462725573.27337909 Distribute overlap matrix (952.02987s) stopped
T25 >> 1462725573.27947998 Blacs Orbital Layouts (10013.16587s) started
T25 >> 1462725573.28746009 General diagonalize (9971.40428s) started
T25 << 1462725630.87278104 General diagonalize (10028.98960s) stopped
T25 >> 1462725630.87282991 Redistribute coefs (3.34259s) started
T25 << 1462725630.88861299 Redistribute coefs (3.35837s) stopped
T25 >> 1462725630.88865495 Send coefs to domains (36.85018s) started
T25 << 1462725630.99295592 Send coefs to domains (36.95448s) stopped
T25 << 1462725630.99347806 Blacs Orbital Layouts (10070.87987s) stopped
T25 >> 1462725630.99350595 Calculate projections (871.56925s) started
T25 << 1462725635.97005892 Calculate projections (876.54580s) stopped
T25 << 1462725635.97040200 LCAO eigensolver (12498.81859s) stopped
T25 << 1462725637.07817888 SCF-cycle (26003.60156s) stopped
T25 >> 1462725639.83347011 Force calculation (1296.08352s) started
T25 >> 1462725639.83355808 LCAO forces (1163.85307s) started
T25 >> 1462725639.83394003 Initial (0.00035s) started
T25 << 1462725639.83395100 Initial (0.00036s) stopped
T25 >> 1462725639.83997297 Get density matrix (543.04732s) started
T25 << 1462725649.19862795 Get density matrix (552.40597s) stopped
T25 >> 1462725649.19866991 Potential (185.96373s) started
T25 << 1462725661.55450797 Potential (198.31956s) stopped
T25 >> 1462725661.55456901 Get density matrix (552.40601s) started
T25 << 1462725688.69550204 Get density matrix (579.54694s) stopped
T25 >> 1462725688.69560099 Prepare TCI loop (36.36003s) started
T25 >> 1462725688.69627595 Get neighbors (32.74708s) started
T25 << 1462725690.94010711 Get neighbors (34.99091s) stopped
T25 >> 1462725690.94048691 broadcast dH (3.59618s) started
T25 << 1462725691.15718198 broadcast dH (3.81288s) stopped
T25 << 1462725691.15723205 Prepare TCI loop (38.82166s) stopped
T25 >> 1462725691.15725207 Not so complicated loop (155.67097s) started
T25 << 1462725701.74126911 Not so complicated loop (166.25499s) stopped
T25 >> 1462725701.85805392 Complicated loop (240.90230s) started
T25 << 1462725718.01448202 Complicated loop (257.05873s) stopped
T25 >> 1462725718.01739907 Wait for sum (0.00155s) started
T25 << 1462725718.01748395 Wait for sum (0.00163s) stopped
T25 << 1462725718.01749802 LCAO forces (1242.03701s) stopped
T25 << 1462725725.78396893 Force calculation (1382.03402s) stopped
T25 >> 1462725725.80348802 Initialization (1925.16149s) started
T25 << 1462725725.80370402 Initialization (1925.16170s) stopped
T25 >> 1462725725.80397010 Initialization (1925.16172s) started
T25 << 1462725725.80413604 Initialization (1925.16189s) stopped
T25 >> 1462725725.80429506 Initialization (1925.16190s) started
T25 << 1462725725.80444789 Initialization (1925.16205s) stopped
T25 >> 1462725749.06895399 Initialization (1925.16208s) started
T25 >> 1462725749.36072397 Basic WFS set positions (1.96827s) started
T25 >> 1462725749.36074996 Redistribute (0.26728s) started
T25 << 1462725749.36089802 Redistribute (0.26743s) stopped
T25 << 1462725749.49245191 Basic WFS set positions (2.10000s) stopped
T25 >> 1462725749.49248004 Basis functions set positions (30.52706s) started
T25 << 1462725751.59333110 Basis functions set positions (32.62791s) stopped
T25 >> 1462725751.59684896 TCI: Calculate S, T, P (379.78962s) started
T25 << 1462725777.10118699 TCI: Calculate S, T, P (405.29396s) stopped
T25 >> 1462725777.10129309 blocked summation (315.14645s) started
T25 << 1462725802.34288692 blocked summation (340.38805s) stopped
T25 >> 1462725802.36425400 Scalapack redistribute (4.24846s) started
T25 << 1462725802.46578097 Scalapack redistribute (4.34999s) stopped
T25 >> 1462725802.46663809 blocked summation (340.38809s) started
T25 << 1462725803.70012593 blocked summation (341.62158s) stopped
T25 >> 1462725803.70987606 Scalapack redistribute (4.35005s) started
T25 << 1462725803.87922812 Scalapack redistribute (4.51940s) stopped
T25 >> 1462725803.88193011 Redistribute (0.75966s) started
T25 << 1462725803.88328409 Redistribute (0.76101s) stopped
T25 >> 1462725805.86521292 Redistribute (0.76104s) started
T25 << 1462725805.86627197 Redistribute (0.76210s) stopped
T25 >> 1462725805.89993310 LCAO WFS Initialize (1151.30576s) started
T25 >> 1462725805.89995790 Density initialize from wavefunctions (221.24852s) started
T25 >> 1462725805.90335107 Calculate density matrix (150.94539s) started
T25 << 1462725816.89593291 Calculate density matrix (161.93797s) stopped
T25 >> 1462725816.89598989 Construct density (24.47863s) started
T25 << 1462725818.51677799 Construct density (26.09942s) stopped
T25 >> 1462725818.53351593 Symmetrize density (0.00117s) started
T25 << 1462725818.53357601 Symmetrize density (0.00123s) stopped
T25 << 1462725821.62300992 Density initialize from wavefunctions (236.97157s) stopped
T25 >> 1462725821.62408900 Hamiltonian (929.03078s) started
T25 >> 1462725821.62413692 vbar (0.39068s) started
T25 << 1462725821.66262698 vbar (0.42917s) stopped
T25 >> 1462725821.66278911 XC 3D grid (474.35815s) started
T25 >> 1462725822.16795206 van der Waals (458.48875s) started
T25 >> 1462725822.30384207 semilocal (103.18182s) started
T25 << 1462725829.09051108 semilocal (109.96849s) stopped
T25 >> 1462725829.15324092 redistribute (47.93712s) started
T25 << 1462725830.06417203 redistribute (48.84805s) stopped
T25 >> 1462725830.06427503 libvdwxc nonlocal (304.13199s) started
T25 << 1462725849.35807705 libvdwxc nonlocal (323.42579s) stopped
T25 >> 1462725849.35815001 redistribute (48.84811s) started
T25 << 1462725851.46159506 redistribute (50.95155s) stopped
T25 << 1462725851.46331096 van der Waals (487.78411s) stopped
T25 << 1462725851.95177293 XC 3D grid (504.64713s) stopped
T25 >> 1462725851.95181489 Poisson (255.82778s) started
T25 << 1462725864.95172906 Poisson (268.82769s) stopped
T25 >> 1462725864.95183301 Hartree integrate/restrict (6.17994s) started
T25 << 1462725864.98732996 Hartree integrate/restrict (6.21543s) stopped
T25 >> 1462725864.98746490 Hartree integrate/restrict (6.21553s) started
T25 << 1462725865.35538507 Hartree integrate/restrict (6.58345s) stopped
T25 >> 1462725865.41481900 Atomic (171.60016s) started
T25 >> 1462725865.43240499 XC Correction (128.28618s) started
T25 << 1462725875.02222490 XC Correction (137.87600s) stopped
T25 << 1462725877.53339911 Atomic (183.71874s) stopped
T25 >> 1462725877.53380704 Communicate (19.68758s) started
T25 << 1462725878.56226492 Communicate (20.71604s) stopped
T25 << 1462725878.56229091 Hamiltonian (985.96899s) stopped
T25 << 1462725878.56235409 LCAO WFS Initialize (1223.96818s) stopped
T25 << 1462725878.57457304 Initialization (2054.66770s) stopped
T25 >> 1462725878.60359597 SCF-cycle (26003.60158s) started
T25 >> 1462725878.60365105 LCAO eigensolver (12498.81860s) started
T25 >> 1462725878.60366392 Potential matrix (422.61579s) started
T25 << 1462725880.97653604 Potential matrix (424.98866s) stopped
T25 >> 1462725880.97662401 DistributedAtomicCorrection (175.71946s) started
T25 << 1462725882.04835796 DistributedAtomicCorrection (176.79120s) stopped
T25 >> 1462725882.04840708 Distribute overlap matrix (952.02989s) started
T25 >> 1462725882.04844689 blocked summation (930.40790s) started
T25 << 1462725887.58227396 blocked summation (935.94172s) stopped
T25 >> 1462725887.59275389 Scalapack redistribute (19.92958s) started
T25 << 1462725887.72410893 Scalapack redistribute (20.06093s) stopped
T25 << 1462725887.72419500 Distribute overlap matrix (957.70568s) stopped
T25 >> 1462725887.72854710 Blacs Orbital Layouts (10070.87989s) started
T25 >> 1462725887.73825598 General diagonalize (10028.98964s) started
T25 << 1462725943.87804103 General diagonalize (10085.12943s) stopped
T25 >> 1462725943.87809205 Redistribute coefs (3.35840s) started
T25 << 1462725943.89479494 Redistribute coefs (3.37511s) stopped
T25 >> 1462725943.89483905 Send coefs to domains (36.95452s) started
T25 << 1462725944.03092909 Send coefs to domains (37.09061s) stopped
T25 << 1462725944.03154397 Blacs Orbital Layouts (10127.18289s) stopped
T25 >> 1462725944.03157401 Calculate projections (876.54586s) started
T25 << 1462725949.00598311 Calculate projections (881.52027s) stopped
T25 << 1462725949.00631690 LCAO eigensolver (12569.22127s) stopped
T25 >> 1462725950.14926004 Density (2788.21807s) started
T25 >> 1462725950.14927506 Pseudo density (2276.08786s) started
T25 >> 1462725950.15090704 Calculate density matrix (2003.93525s) started
T25 << 1462725962.71315289 Calculate density matrix (2016.49750s) stopped
T25 >> 1462725962.71320796 Construct density (264.76254s) started
T25 << 1462725964.33697605 Construct density (266.38630s) stopped
T25 >> 1462725964.36350894 Symmetrize density (0.01276s) started
T25 << 1462725964.36356997 Symmetrize density (0.01282s) stopped
T25 << 1462725964.36565804 Pseudo density (2290.30424s) stopped
T25 >> 1462725964.36571908 Atomic density matrices (425.32306s) started
T25 << 1462725967.06276488 Atomic density matrices (428.02010s) stopped
T25 >> 1462725967.06281090 Multipole moments (1.46740s) started
T25 << 1462725967.07378197 Multipole moments (1.47837s) stopped
T25 >> 1462725967.07384300 Normalize (1.36090s) started
T25 << 1462725967.08114600 Normalize (1.36820s) stopped
T25 >> 1462725967.08118701 Mix (83.96123s) started
T25 << 1462725967.50554109 Mix (84.38558s) stopped
T25 << 1462725967.50562596 Density (2805.57444s) stopped
T25 >> 1462725967.50573897 Hamiltonian (10485.66533s) started
T25 >> 1462725967.50575709 vbar (4.60557s) started
T25 << 1462725967.53759408 vbar (4.63740s) stopped
T25 >> 1462725967.53774095 XC 3D grid (7095.47081s) started
T25 >> 1462725968.03110003 van der Waals (6934.17666s) started
T25 >> 1462725968.16511297 semilocal (2608.31247s) started
T25 << 1462725974.62059093 semilocal (2614.76794s) stopped
T25 >> 1462725974.69892097 redistribute (1199.16260s) started
T25 << 1462725975.97562408 redistribute (1200.43931s) stopped
T25 >> 1462725975.97566795 libvdwxc nonlocal (3092.54978s) started
T25 << 1462725994.65002394 libvdwxc nonlocal (3111.22414s) stopped
T25 >> 1462725994.65009308 redistribute (1200.43934s) started
T25 << 1462725996.52074003 redistribute (1202.30999s) stopped
T25 << 1462725996.52290606 van der Waals (6962.66847s) stopped
T25 << 1462725997.00467300 XC 3D grid (7124.93774s) stopped
T25 >> 1462725997.00471306 Poisson (1502.14357s) started
T25 << 1462726006.96678996 Poisson (1512.10565s) stopped
T25 >> 1462726006.96684790 Hartree integrate/restrict (62.77595s) started
T25 << 1462726007.00999308 Hartree integrate/restrict (62.81909s) stopped
T25 >> 1462726007.01012897 Hartree integrate/restrict (62.81919s) started
T25 << 1462726007.34296703 Hartree integrate/restrict (63.15202s) stopped
T25 >> 1462726007.40673804 Atomic (1508.78722s) started
T25 >> 1462726007.42377400 XC Correction (1171.60222s) started
T25 << 1462726016.73765993 XC Correction (1180.91611s) stopped
T25 << 1462726019.22285008 Atomic (1520.60333s) stopped
T25 >> 1462726019.22315097 Communicate (302.74338s) started
T25 << 1462726020.06476212 Communicate (303.58499s) stopped
T25 << 1462726020.06478810 Hamiltonian (10538.22438s) stopped
T25 >> 1462726020.06488800 LCAO eigensolver (12569.22129s) started
T25 >> 1462726020.06490302 Potential matrix (424.98871s) started
T25 << 1462726022.44822097 Potential matrix (427.37203s) stopped
T25 >> 1462726022.44830704 DistributedAtomicCorrection (176.79124s) started
T25 << 1462726023.45365095 DistributedAtomicCorrection (177.79658s) stopped
T25 >> 1462726023.45370197 Distribute overlap matrix (957.70569s) started
T25 >> 1462726023.45373893 blocked summation (935.94176s) started
T25 << 1462726029.13761806 blocked summation (941.62564s) stopped
T25 >> 1462726029.14675403 Scalapack redistribute (20.06099s) started
T25 << 1462726029.27893090 Scalapack redistribute (20.19317s) stopped
T25 << 1462726029.27905011 Distribute overlap matrix (963.53104s) stopped
T25 >> 1462726029.28529191 Blacs Orbital Layouts (10127.18291s) started
T25 >> 1462726029.29370904 General diagonalize (10085.12947s) started
T25 << 1462726085.96644306 General diagonalize (10141.80220s) stopped
T25 >> 1462726085.96648908 Redistribute coefs (3.37514s) started
T25 << 1462726085.98336411 Redistribute coefs (3.39201s) stopped
T25 >> 1462726085.98340511 Send coefs to domains (37.09065s) started
T25 << 1462726086.08522201 Send coefs to domains (37.19246s) stopped
T25 << 1462726086.08576608 Blacs Orbital Layouts (10183.98338s) stopped
T25 >> 1462726086.08579493 Calculate projections (881.52032s) started
T25 << 1462726091.05532694 Calculate projections (886.48986s) stopped
T25 << 1462726091.05567098 LCAO eigensolver (12640.21207s) stopped
T25 >> 1462726092.19010496 Density (2805.57445s) started
T25 >> 1462726092.19011998 Pseudo density (2290.30429s) started
T25 >> 1462726092.19151497 Calculate density matrix (2016.49753s) started
T25 << 1462726105.08491111 Calculate density matrix (2029.39093s) stopped
T25 >> 1462726105.08496809 Construct density (266.38635s) started
T25 << 1462726106.70227098 Construct density (268.00366s) stopped
T25 >> 1462726106.71636891 Symmetrize density (0.01284s) started
T25 << 1462726106.71643400 Symmetrize density (0.01290s) stopped
T25 << 1462726106.71852493 Pseudo density (2304.83269s) stopped
T25 >> 1462726106.71858191 Atomic density matrices (428.02012s) started
T25 << 1462726109.41704893 Atomic density matrices (430.71859s) stopped
T25 >> 1462726109.41709590 Multipole moments (1.47838s) started
T25 << 1462726109.42606497 Multipole moments (1.48735s) stopped
T25 >> 1462726109.42612290 Normalize (1.36823s) started
T25 << 1462726109.43350291 Normalize (1.37561s) stopped
T25 >> 1462726109.43355393 Mix (84.38566s) started
T25 << 1462726109.93554592 Mix (84.88765s) stopped
T25 << 1462726109.93568301 Density (2823.32003s) stopped
T25 >> 1462726109.93585396 Hamiltonian (10538.22439s) started
T25 >> 1462726109.93587995 vbar (4.63748s) started
T25 << 1462726109.97571206 vbar (4.67732s) stopped
T25 >> 1462726109.97584796 XC 3D grid (7124.93777s) started
T25 >> 1462726110.47057199 van der Waals (6962.66855s) started
T25 >> 1462726110.60273409 semilocal (2614.76804s) started
T25 << 1462726116.89712095 semilocal (2621.06243s) stopped
T25 >> 1462726116.97036600 redistribute (1202.31010s) started
T25 << 1462726118.11956692 redistribute (1203.45930s) stopped
T25 >> 1462726118.11961198 libvdwxc nonlocal (3111.22419s) started
T25 << 1462726137.82136106 libvdwxc nonlocal (3130.92594s) stopped
T25 >> 1462726137.82143402 redistribute (1203.45933s) started
T25 << 1462726139.94195509 redistribute (1205.57985s) stopped
T25 << 1462726139.94397497 van der Waals (6992.14195s) stopped
T25 << 1462726140.42630506 XC 3D grid (7155.38823s) stopped
T25 >> 1462726140.42636299 Poisson (1512.10569s) started
T25 << 1462726146.23304892 Poisson (1517.91238s) stopped
T25 >> 1462726146.23311710 Hartree integrate/restrict (63.15211s) started
T25 << 1462726146.27508593 Hartree integrate/restrict (63.19407s) stopped
T25 >> 1462726146.27516198 Hartree integrate/restrict (63.19412s) started
T25 << 1462726146.63792300 Hartree integrate/restrict (63.55688s) stopped
T25 >> 1462726146.69492197 Atomic (1520.60335s) started
T25 >> 1462726146.71147704 XC Correction (1180.91614s) started
T25 << 1462726155.44463706 XC Correction (1189.64930s) stopped
T25 << 1462726157.77966905 Atomic (1531.68810s) stopped
T25 >> 1462726157.77994895 Communicate (303.58501s) started
T25 << 1462726159.38985610 Communicate (305.19491s) stopped
T25 << 1462726159.38988209 Hamiltonian (10587.67842s) stopped
T25 >> 1462726159.38998389 LCAO eigensolver (12640.21209s) started
T25 >> 1462726159.39000392 Potential matrix (427.37208s) started
T25 << 1462726161.78038812 Potential matrix (429.76246s) stopped
T25 >> 1462726161.78048897 DistributedAtomicCorrection (177.79663s) started
T25 << 1462726162.74972296 DistributedAtomicCorrection (178.76586s) stopped
T25 >> 1462726162.74977303 Distribute overlap matrix (963.53105s) started
T25 >> 1462726162.74980903 blocked summation (941.62567s) started
T25 << 1462726168.12933707 blocked summation (947.00520s) stopped
T25 >> 1462726168.13934588 Scalapack redistribute (20.19324s) started
T25 << 1462726168.24339104 Scalapack redistribute (20.29729s) stopped
T25 << 1462726168.24344110 Distribute overlap matrix (969.02472s) stopped
T25 >> 1462726168.24984694 Blacs Orbital Layouts (10183.98340s) started
T25 >> 1462726168.25809598 General diagonalize (10141.80224s) started
T25 << 1462726225.02508593 General diagonalize (10198.56923s) stopped
T25 >> 1462726225.02513504 Redistribute coefs (3.39205s) started
T25 << 1462726225.04173112 Redistribute coefs (3.40864s) stopped
T25 >> 1462726225.04177904 Send coefs to domains (37.19250s) started
T25 << 1462726225.23694491 Send coefs to domains (37.38766s) stopped
T25 << 1462726225.23755598 Blacs Orbital Layouts (10240.97111s) stopped
T25 >> 1462726225.23758602 Calculate projections (886.48991s) started
T25 << 1462726230.16281509 Calculate projections (891.41514s) stopped
T25 << 1462726230.16319704 LCAO eigensolver (12710.98530s) stopped
T25 >> 1462726231.34699702 Density (2823.32005s) started
T25 >> 1462726231.34701705 Pseudo density (2304.83275s) started
T25 >> 1462726231.34869909 Calculate density matrix (2029.39096s) started
T25 << 1462726244.00977707 Calculate density matrix (2042.05204s) stopped
T25 >> 1462726244.00983596 Construct density (268.00372s) started
T25 << 1462726245.62257004 Construct density (269.61645s) stopped
T25 >> 1462726245.63791609 Symmetrize density (0.01292s) started
T25 << 1462726245.63797212 Symmetrize density (0.01297s) stopped
T25 << 1462726245.64031196 Pseudo density (2319.12604s) stopped
T25 >> 1462726245.64036489 Atomic density matrices (430.71862s) started
T25 << 1462726248.32361507 Atomic density matrices (433.40187s) stopped
T25 >> 1462726248.32366204 Multipole moments (1.48737s) started
T25 << 1462726248.33353305 Multipole moments (1.49724s) stopped
T25 >> 1462726248.33359003 Normalize (1.37565s) started
T25 << 1462726248.34470606 Normalize (1.38677s) stopped
T25 >> 1462726248.34476709 Mix (84.88779s) started
T25 << 1462726248.83571601 Mix (85.37873s) stopped
T25 << 1462726248.83580709 Density (2840.80886s) stopped
T25 >> 1462726248.83597112 Hamiltonian (10587.67843s) started
T25 >> 1462726248.83599496 vbar (4.67739s) started
T25 << 1462726248.86491108 vbar (4.70631s) stopped
T25 >> 1462726248.86503100 XC 3D grid (7155.38828s) started
T25 >> 1462726249.37039399 van der Waals (6992.14202s) started
T25 >> 1462726249.50457597 semilocal (2621.06255s) started
T25 << 1462726256.02648592 semilocal (2627.58446s) stopped
T25 >> 1462726256.08916712 redistribute (1205.57998s) started
T25 << 1462726257.14971590 redistribute (1206.64053s) stopped
T25 >> 1462726257.14976001 libvdwxc nonlocal (3130.92599s) started
T25 << 1462726276.16608310 libvdwxc nonlocal (3149.94232s) stopped
T25 >> 1462726276.16612792 redistribute (1206.64056s) started
T25 << 1462726277.86369395 redistribute (1208.33813s) stopped
T25 << 1462726277.86592007 van der Waals (7020.63755s) stopped
T25 << 1462726278.34907889 XC 3D grid (7184.87233s) stopped
T25 >> 1462726278.34912896 Poisson (1517.91243s) started
T25 << 1462726288.46887898 Poisson (1528.03218s) stopped
T25 >> 1462726288.46896195 Hartree integrate/restrict (63.55693s) started
T25 << 1462726288.52744293 Hartree integrate/restrict (63.61541s) stopped
T25 >> 1462726288.52749705 Hartree integrate/restrict (63.61545s) started
T25 << 1462726288.84320402 Hartree integrate/restrict (63.93115s) stopped
T25 >> 1462726288.90184212 Atomic (1531.68812s) started
T25 >> 1462726288.91773891 XC Correction (1189.64933s) started
T25 << 1462726297.55075407 XC Correction (1198.28234s) stopped
T25 << 1462726299.29297400 Atomic (1542.07925s) stopped
T25 >> 1462726299.29319000 Communicate (305.19493s) started
T25 << 1462726301.64277005 Communicate (307.54451s) stopped
T25 << 1462726301.64279389 Hamiltonian (10640.48526s) stopped
T25 >> 1462726301.64288592 LCAO eigensolver (12710.98532s) started
T25 >> 1462726301.64289999 Potential matrix (429.76252s) started
T25 << 1462726304.01469803 Potential matrix (432.13432s) stopped
T25 >> 1462726304.01478505 DistributedAtomicCorrection (178.76590s) started
T25 << 1462726304.99402308 DistributedAtomicCorrection (179.74514s) stopped
T25 >> 1462726304.99410295 Distribute overlap matrix (969.02473s) started
T25 >> 1462726304.99413896 blocked summation (947.00523s) started
T25 << 1462726310.32352591 blocked summation (952.33461s) stopped
T25 >> 1462726310.33347511 Scalapack redistribute (20.29732s) started
T25 << 1462726310.47129989 Scalapack redistribute (20.43514s) stopped
T25 << 1462726310.47139692 Distribute overlap matrix (974.50203s) stopped
T25 >> 1462726310.47615290 Blacs Orbital Layouts (10240.97113s) started
T25 >> 1462726310.48441792 General diagonalize (10198.56927s) started
T25 << 1462726367.92884898 General diagonalize (10256.01371s) stopped
T25 >> 1462726367.92889905 Redistribute coefs (3.40868s) started
T25 << 1462726367.95627403 Redistribute coefs (3.43606s) stopped
T25 >> 1462726367.95632696 Send coefs to domains (37.38770s) started
T25 << 1462726368.08377910 Send coefs to domains (37.51516s) stopped
T25 << 1462726368.08426809 Blacs Orbital Layouts (10298.57925s) stopped
T25 >> 1462726368.08429694 Calculate projections (891.41519s) started
T25 << 1462726373.05168104 Calculate projections (896.38257s) stopped
T25 << 1462726373.05206609 LCAO eigensolver (12782.39450s) stopped
T25 >> 1462726374.19928908 Density (2840.80888s) started
T25 >> 1462726374.19930410 Pseudo density (2319.12608s) started
T25 >> 1462726374.20059991 Calculate density matrix (2042.05208s) started
T25 << 1462726386.85723901 Calculate density matrix (2054.70872s) stopped
T25 >> 1462726386.85729909 Construct density (269.61650s) started
T25 << 1462726388.47894406 Construct density (271.23815s) stopped
T25 >> 1462726388.49435496 Symmetrize density (0.01299s) started
T25 << 1462726388.49441695 Symmetrize density (0.01305s) stopped
T25 << 1462726388.49652004 Pseudo density (2333.42330s) stopped
T25 >> 1462726388.49657893 Atomic density matrices (433.40189s) started
T25 << 1462726391.18145895 Atomic density matrices (436.08677s) stopped
T25 >> 1462726391.18150592 Multipole moments (1.49726s) started
T25 << 1462726391.19196510 Multipole moments (1.50772s) stopped
T25 >> 1462726391.19202304 Normalize (1.38681s) started
T25 << 1462726391.19922400 Normalize (1.39401s) stopped
T25 >> 1462726391.19932199 Mix (85.37882s) started
T25 << 1462726391.70991802 Mix (85.88942s) stopped
T25 << 1462726391.71001291 Density (2858.31960s) stopped
T25 >> 1462726391.71015000 Hamiltonian (10640.48527s) started
T25 >> 1462726391.71016693 vbar (4.70636s) started
T25 << 1462726391.73579097 vbar (4.73199s) stopped
T25 >> 1462726391.73587799 XC 3D grid (7184.87237s) started
T25 >> 1462726392.22495294 van der Waals (7020.63765s) started
T25 >> 1462726392.35381889 semilocal (2627.58453s) started
T25 << 1462726399.05379605 semilocal (2634.28451s) stopped
T25 >> 1462726399.16445398 redistribute (1208.33823s) started
T25 << 1462726423.60919189 redistribute (1232.78297s) stopped
T25 >> 1462726423.60923505 libvdwxc nonlocal (3149.94235s) started
T25 << 1462726442.49976611 libvdwxc nonlocal (3168.83288s) stopped
T25 >> 1462726442.49982905 redistribute (1232.78300s) started
T25 << 1462726444.41721010 redistribute (1234.70038s) stopped
T25 << 1462726444.41925097 van der Waals (7072.83194s) stopped
T25 << 1462726444.90296602 XC 3D grid (7238.03945s) stopped
T25 >> 1462726444.90300894 Poisson (1528.03223s) started
T25 << 1462726453.48047590 Poisson (1536.60970s) stopped
T25 >> 1462726453.48053694 Hartree integrate/restrict (63.93119s) started
T25 << 1462726453.52310991 Hartree integrate/restrict (63.97376s) stopped
T25 >> 1462726453.52317190 Hartree integrate/restrict (63.97380s) started
T25 << 1462726453.86452198 Hartree integrate/restrict (64.31515s) stopped
T25 >> 1462726453.92234993 Atomic (1542.07927s) started
T25 >> 1462726453.93875098 XC Correction (1198.28236s) started
T25 << 1462726462.64163899 XC Correction (1206.98525s) stopped
T25 << 1462726464.29950190 Atomic (1552.45643s) stopped
T25 >> 1462726464.29974198 Communicate (307.54452s) started
T25 << 1462726466.61636996 Communicate (309.86115s) stopped
T25 << 1462726466.61639690 Hamiltonian (10715.39152s) stopped
T25 >> 1462726466.61652708 LCAO eigensolver (12782.39452s) started
T25 >> 1462726466.61654210 Potential matrix (432.13437s) started
T25 << 1462726468.98992395 Potential matrix (434.50775s) stopped
T25 >> 1462726468.99002695 DistributedAtomicCorrection (179.74521s) started
T25 << 1462726469.95277190 DistributedAtomicCorrection (180.70796s) stopped
T25 >> 1462726469.95282102 Distribute overlap matrix (974.50204s) started
T25 >> 1462726469.95285702 blocked summation (952.33465s) started
T25 << 1462726475.32954597 blocked summation (957.71134s) stopped
T25 >> 1462726475.33934903 Scalapack redistribute (20.43521s) started
T25 << 1462726475.45608997 Scalapack redistribute (20.55195s) stopped
T25 << 1462726475.45620298 Distribute overlap matrix (980.00542s) stopped
T25 >> 1462726475.46334505 Blacs Orbital Layouts (10298.57927s) started
T25 >> 1462726475.47185898 General diagonalize (10256.01374s) started
T25 << 1462726530.93264008 General diagonalize (10311.47453s) stopped
T25 >> 1462726530.93268394 Redistribute coefs (3.43610s) started
T25 << 1462726530.94950008 Redistribute coefs (3.45291s) stopped
T25 >> 1462726530.94954300 Send coefs to domains (37.51519s) started
T25 << 1462726531.03459001 Send coefs to domains (37.60024s) stopped
T25 << 1462726531.03502393 Blacs Orbital Layouts (10354.15095s) stopped
T25 >> 1462726531.03505206 Calculate projections (896.38263s) started
T25 << 1462726536.00156498 Calculate projections (901.34914s) stopped
T25 << 1462726536.00188708 LCAO eigensolver (12851.77988s) stopped
T25 >> 1462726537.16237712 Density (2858.31962s) started
T25 >> 1462726537.16239190 Pseudo density (2333.42335s) started
T25 >> 1462726537.16367412 Calculate density matrix (2054.70876s) started
T25 << 1462726549.82282495 Calculate density matrix (2067.36791s) stopped
T25 >> 1462726549.82288408 Construct density (271.23821s) started
T25 << 1462726551.44102812 Construct density (272.85635s) stopped
T25 >> 1462726551.47157502 Symmetrize density (0.01307s) started
T25 << 1462726551.47163796 Symmetrize density (0.01313s) stopped
T25 << 1462726551.47370601 Pseudo density (2347.73466s) stopped
T25 >> 1462726551.47376609 Atomic density matrices (436.08680s) started
T25 << 1462726554.14286590 Atomic density matrices (438.75590s) stopped
T25 >> 1462726554.14291191 Multipole moments (1.50773s) started
T25 << 1462726554.15302205 Multipole moments (1.51784s) stopped
T25 >> 1462726554.15307903 Normalize (1.39409s) started
T25 << 1462726554.16020608 Normalize (1.40122s) stopped
T25 >> 1462726554.16029501 Mix (85.88951s) started
T25 << 1462726554.68760610 Mix (86.41682s) stopped
T25 << 1462726554.68765211 Density (2875.84489s) stopped
T25 >> 1462726554.68775392 Hamiltonian (10715.39153s) started
T25 >> 1462726554.68776989 vbar (4.73204s) started
T25 << 1462726554.71192908 vbar (4.75619s) stopped
T25 >> 1462726554.71204591 XC 3D grid (7238.03949s) started
T25 >> 1462726555.20397305 van der Waals (7072.83199s) started
T25 >> 1462726555.33452606 semilocal (2634.28461s) started
T25 << 1462726580.85176706 semilocal (2659.80185s) stopped
T25 >> 1462726580.91629004 redistribute (1234.70044s) started
T25 << 1462726620.72078395 redistribute (1274.50493s) stopped
T25 >> 1462726620.72084689 libvdwxc nonlocal (3168.83293s) started
T25 << 1462726640.02185392 libvdwxc nonlocal (3188.13393s) stopped
T25 >> 1462726640.02192211 redistribute (1274.50498s) started
T25 << 1462726642.55122590 redistribute (1277.03429s) stopped
T25 << 1462726642.55242705 van der Waals (7160.18045s) stopped
T25 << 1462726643.04464889 XC 3D grid (7326.37209s) stopped
T25 >> 1462726643.04469204 Poisson (1536.60975s) started
T25 << 1462726647.45730090 Poisson (1541.02235s) stopped
T25 >> 1462726647.45736408 Hartree integrate/restrict (64.31519s) started
T25 << 1462726647.51212597 Hartree integrate/restrict (64.36995s) stopped
T25 >> 1462726647.51218796 Hartree integrate/restrict (64.36999s) started
T25 << 1462726647.84027100 Hartree integrate/restrict (64.69807s) stopped
T25 >> 1462726647.89886308 Atomic (1552.45645s) started
T25 >> 1462726647.91473794 XC Correction (1206.98527s) started
T25 << 1462726656.62807608 XC Correction (1215.69861s) stopped
T25 << 1462726658.31509995 Atomic (1562.87268s) stopped
T25 >> 1462726658.31535411 Communicate (309.86117s) started
T25 << 1462726660.23184109 Communicate (311.77766s) stopped
T25 << 1462726660.23186588 Hamiltonian (10820.93564s) stopped
T25 >> 1462726660.23196411 LCAO eigensolver (12851.77990s) started
T25 >> 1462726660.23197889 Potential matrix (434.50781s) started
T25 << 1462726662.61863208 Potential matrix (436.89446s) stopped
T25 >> 1462726662.61871696 DistributedAtomicCorrection (180.70800s) started
T25 << 1462726663.61566806 DistributedAtomicCorrection (181.70495s) stopped
T25 >> 1462726663.61571097 Distribute overlap matrix (980.00544s) started
T25 >> 1462726663.61574602 blocked summation (957.71137s) started
T25 << 1462726668.92279196 blocked summation (963.01842s) stopped
T25 >> 1462726668.93160510 Scalapack redistribute (20.55202s) started
T25 << 1462726669.03914690 Scalapack redistribute (20.65956s) stopped
T25 << 1462726669.03922200 Distribute overlap matrix (985.42895s) stopped
T25 >> 1462726669.04470110 Blacs Orbital Layouts (10354.15096s) started
T25 >> 1462726669.05255890 General diagonalize (10311.47456s) started
T25 << 1462726726.73669291 General diagonalize (10369.15869s) stopped
T25 >> 1462726726.73674202 Redistribute coefs (3.45295s) started
T25 << 1462726726.75381589 Redistribute coefs (3.47002s) stopped
T25 >> 1462726726.75385809 Send coefs to domains (37.60027s) started
T25 << 1462726726.84906697 Send coefs to domains (37.69548s) stopped
T25 << 1462726726.84972501 Blacs Orbital Layouts (10411.95599s) stopped
T25 >> 1462726726.84975696 Calculate projections (901.34920s) started
T25 << 1462726731.82429409 Calculate projections (906.32374s) stopped
T25 << 1462726731.82450700 LCAO eigensolver (12923.37244s) stopped
T25 >> 1462726732.96894193 Density (2875.84491s) started
T25 >> 1462726732.96895695 Pseudo density (2347.73471s) started
T25 >> 1462726732.97042799 Calculate density matrix (2067.36795s) started
T25 << 1462726745.64723396 Calculate density matrix (2080.04476s) stopped
T25 >> 1462726745.64729095 Construct density (272.85641s) started
T25 << 1462726747.27179193 Construct density (274.48091s) stopped
T25 >> 1462726747.28599906 Symmetrize density (0.01315s) started
T25 << 1462726747.28606105 Symmetrize density (0.01321s) stopped
T25 << 1462726747.28816295 Pseudo density (2362.05391s) stopped
T25 >> 1462726747.28822303 Atomic density matrices (438.75592s) started
T25 << 1462726749.97072601 Atomic density matrices (441.43843s) stopped
T25 >> 1462726749.97077394 Multipole moments (1.51786s) started
T25 << 1462726749.98233390 Multipole moments (1.52942s) stopped
T25 >> 1462726749.98239303 Normalize (1.40129s) started
T25 << 1462726749.98953390 Normalize (1.40843s) stopped
T25 >> 1462726749.98962998 Mix (86.41687s) started
T25 << 1462726750.60758090 Mix (87.03482s) stopped
T25 << 1462726750.60765600 Density (2893.48362s) stopped
T25 >> 1462726750.60777497 Hamiltonian (10820.93566s) started
T25 >> 1462726750.60779095 vbar (4.75626s) started
T25 << 1462726750.62577605 vbar (4.77424s) stopped
T25 >> 1462726750.62585807 XC 3D grid (7326.37212s) started
T25 >> 1462726751.13247991 van der Waals (7160.18053s) started
T25 >> 1462726751.26055789 semilocal (2659.80193s) started
T25 << 1462726837.55160904 semilocal (2746.09299s) stopped
T25 >> 1462726837.61158395 redistribute (1277.03436s) started
T25 << 1462726997.87603307 redistribute (1437.29881s) stopped
T25 >> 1462726997.87607908 libvdwxc nonlocal (3188.13399s) started
T25 << 1462727017.33933997 libvdwxc nonlocal (3207.59725s) stopped
T25 >> 1462727017.33940411 redistribute (1437.29885s) started
T25 << 1462727018.99159288 redistribute (1438.95104s) stopped
T25 << 1462727018.99402308 van der Waals (7428.04207s) stopped
T25 << 1462727019.48577595 XC 3D grid (7595.23204s) stopped
T25 >> 1462727019.48582411 Poisson (1541.02240s) started
T25 << 1462727025.37570405 Poisson (1546.91228s) stopped
T25 >> 1462727025.37576795 Hartree integrate/restrict (64.69814s) started
T25 << 1462727025.43961906 Hartree integrate/restrict (64.76199s) stopped
T25 >> 1462727025.43968296 Hartree integrate/restrict (64.76203s) started
T25 << 1462727025.75849009 Hartree integrate/restrict (65.08083s) stopped
T25 >> 1462727025.81591392 Atomic (1562.87270s) started
T25 >> 1462727025.83190107 XC Correction (1215.69864s) started
T25 << 1462727034.57418394 XC Correction (1224.44092s) stopped
T25 << 1462727036.24366689 Atomic (1573.30046s) stopped
T25 >> 1462727036.24388599 Communicate (311.77767s) started
T25 << 1462727038.46035409 Communicate (313.99414s) stopped
T25 << 1462727038.46038008 Hamiltonian (11108.78826s) stopped
T25 >> 1462727038.46047592 LCAO eigensolver (12923.37246s) started
T25 >> 1462727038.46049094 Potential matrix (436.89451s) started
T25 << 1462727040.84334898 Potential matrix (439.27737s) stopped
T25 >> 1462727040.84343791 DistributedAtomicCorrection (181.70498s) started
T25 << 1462727041.82735109 DistributedAtomicCorrection (182.68890s) stopped
T25 >> 1462727041.82739496 Distribute overlap matrix (985.42896s) started
T25 >> 1462727041.82743001 blocked summation (963.01845s) started
T25 << 1462727047.16818404 blocked summation (968.35920s) stopped
T25 >> 1462727047.17806292 Scalapack redistribute (20.65960s) started
T25 << 1462727047.28358006 Scalapack redistribute (20.76512s) stopped
T25 << 1462727047.28365207 Distribute overlap matrix (990.88522s) stopped
T25 >> 1462727047.28918290 Blacs Orbital Layouts (10411.95600s) started
T25 >> 1462727047.29699898 General diagonalize (10369.15873s) started
T25 << 1462727105.59475708 General diagonalize (10427.45649s) stopped
T25 >> 1462727105.59482908 Redistribute coefs (3.47005s) started
T25 << 1462727105.61140895 Redistribute coefs (3.48663s) stopped
T25 >> 1462727105.61145496 Send coefs to domains (37.69552s) started
T25 << 1462727105.79063702 Send coefs to domains (37.87470s) stopped
T25 << 1462727105.79135799 Blacs Orbital Layouts (10470.45818s) stopped
T25 >> 1462727105.79138708 Calculate projections (906.32379s) started
T25 << 1462727110.75962901 Calculate projections (911.29203s) stopped
T25 << 1462727110.75984812 LCAO eigensolver (12995.67183s) stopped
T25 >> 1462727112.30545807 Density (2893.48364s) started
T25 >> 1462727112.30547309 Pseudo density (2362.05396s) started
T25 >> 1462727112.30693102 Calculate density matrix (2080.04480s) started
T25 << 1462727124.98822808 Calculate density matrix (2092.72609s) stopped
T25 >> 1462727124.98828292 Construct density (274.48096s) started
T25 << 1462727126.60897493 Construct density (276.10166s) stopped
T25 >> 1462727126.64455295 Symmetrize density (0.01323s) started
T25 << 1462727126.64461589 Symmetrize density (0.01329s) stopped
T25 << 1462727126.64668202 Pseudo density (2376.39517s) stopped
T25 >> 1462727126.64674306 Atomic density matrices (441.43845s) started
T25 << 1462727129.29550195 Atomic density matrices (444.08721s) stopped
T25 >> 1462727129.29554892 Multipole moments (1.52944s) started
T25 << 1462727129.30632401 Multipole moments (1.54021s) stopped
T25 >> 1462727129.30638289 Normalize (1.40850s) started
T25 << 1462727129.31350589 Normalize (1.41563s) stopped
T25 >> 1462727129.31356502 Mix (87.03489s) started
T25 << 1462727129.88634300 Mix (87.60767s) stopped
T25 << 1462727129.88644505 Density (2911.06463s) stopped
T25 >> 1462727129.88658810 Hamiltonian (11108.78827s) started
T25 >> 1462727129.88660789 vbar (4.77429s) started
T25 << 1462727129.91792107 vbar (4.80560s) stopped
T25 >> 1462727129.91811204 XC 3D grid (7595.23208s) started
T25 >> 1462727130.41406298 van der Waals (7428.04222s) started
T25 >> 1462727130.54339099 semilocal (2746.09308s) started
T25 << 1462727181.71099210 semilocal (2797.26068s) stopped
T25 >> 1462727181.78363109 redistribute (1438.95114s) started
T25 << 1462727183.39068103 redistribute (1440.55819s) stopped
T25 >> 1462727183.39072299 libvdwxc nonlocal (3207.59729s) started
T25 << 1462727202.23688412 libvdwxc nonlocal (3226.44346s) stopped
T25 >> 1462727202.23694110 redistribute (1440.55822s) started
T25 << 1462727204.13069391 redistribute (1442.45198s) stopped
T25 << 1462727204.13286495 van der Waals (7501.76102s) stopped
T25 << 1462727204.62017012 XC 3D grid (7669.93414s) stopped
T25 >> 1462727204.62021089 Poisson (1546.91233s) started
T25 << 1462727210.44773602 Poisson (1552.73986s) stopped
T25 >> 1462727210.44780111 Hartree integrate/restrict (65.08090s) started
T25 << 1462727210.49089694 Hartree integrate/restrict (65.12399s) stopped
T25 >> 1462727210.49100304 Hartree integrate/restrict (65.12407s) started
T25 << 1462727210.83849096 Hartree integrate/restrict (65.47156s) stopped
T25 >> 1462727210.89498496 Atomic (1573.30048s) started
T25 >> 1462727210.91129088 XC Correction (1224.44095s) started
T25 << 1462727219.59470892 XC Correction (1233.12437s) stopped
T25 << 1462727221.31171203 Atomic (1583.71720s) stopped
T25 >> 1462727221.31199002 Communicate (313.99416s) started
T25 << 1462727223.45055103 Communicate (316.13272s) stopped
T25 << 1462727223.45057607 Hamiltonian (11202.35226s) stopped
T25 >> 1462727223.45067692 LCAO eigensolver (12995.67185s) started
T25 >> 1462727223.45069194 Potential matrix (439.27742s) started
T25 << 1462727225.83500099 Potential matrix (441.66173s) stopped
T25 >> 1462727225.83510208 DistributedAtomicCorrection (182.68893s) started
T25 << 1462727226.81296301 DistributedAtomicCorrection (183.66679s) stopped
T25 >> 1462727226.81301308 Distribute overlap matrix (990.88523s) started
T25 >> 1462727226.81305003 blocked summation (968.35924s) started
T25 << 1462727232.11813688 blocked summation (973.66432s) stopped
T25 >> 1462727232.12775898 Scalapack redistribute (20.76516s) started
T25 << 1462727232.23075294 Scalapack redistribute (20.86815s) stopped
T25 << 1462727232.23084998 Distribute overlap matrix (996.30307s) stopped
T25 >> 1462727232.23673391 Blacs Orbital Layouts (10470.45820s) started
T25 >> 1462727232.24522901 General diagonalize (10427.45655s) started
T25 << 1462727287.88461304 General diagonalize (10483.09593s) stopped
T25 >> 1462727287.88465810 Redistribute coefs (3.48667s) started
T25 << 1462727287.90110302 Redistribute coefs (3.50311s) stopped
T25 >> 1462727287.90114594 Send coefs to domains (37.87473s) started
T25 << 1462727287.98815799 Send coefs to domains (37.96174s) stopped
T25 << 1462727287.98866606 Blacs Orbital Layouts (10526.21013s) stopped
T25 >> 1462727287.98869395 Calculate projections (911.29209s) started
T25 << 1462727292.95721292 Calculate projections (916.26061s) stopped
T25 << 1462727292.95739603 LCAO eigensolver (13065.17857s) stopped
T25 << 1462727294.09501100 SCF-cycle (27419.09299s) stopped
T25 >> 1462727296.80985999 Force calculation (1382.03405s) started
T25 >> 1462727296.80994391 LCAO forces (1242.03702s) started
T25 >> 1462727296.81033301 Initial (0.00037s) started
T25 << 1462727296.81034398 Initial (0.00038s) stopped
T25 >> 1462727296.81633210 Get density matrix (579.54700s) started
T25 << 1462727306.12464905 Get density matrix (588.85532s) stopped
T25 >> 1462727306.12469697 Potential (198.31961s) started
T25 << 1462727318.36675811 Potential (210.56167s) stopped
T25 >> 1462727318.36681604 Get density matrix (588.85535s) started
T25 << 1462727345.48871398 Get density matrix (615.97725s) stopped
T25 >> 1462727345.48877501 Prepare TCI loop (38.82167s) started
T25 >> 1462727345.48937607 Get neighbors (34.99096s) started
T25 << 1462727347.77610707 Get neighbors (37.27769s) stopped
T25 >> 1462727347.77721095 broadcast dH (3.81291s) started
T25 << 1462727347.94102907 broadcast dH (3.97672s) stopped
T25 << 1462727347.94107699 Prepare TCI loop (41.27398s) stopped
T25 >> 1462727347.94109607 Not so complicated loop (166.25502s) started
T25 << 1462727358.40220499 Not so complicated loop (176.71613s) stopped
T25 >> 1462727358.51866007 Complicated loop (257.05876s) started
T25 << 1462727374.61473799 Complicated loop (273.15484s) stopped
T25 >> 1462727374.61776805 Wait for sum (0.00165s) started
T25 << 1462727374.61784601 Wait for sum (0.00173s) stopped
T25 << 1462727374.61786008 LCAO forces (1319.84493s) stopped
T25 << 1462727383.89956307 Force calculation (1469.12375s) stopped
T25 >> 1462727383.91952610 Initialization (2054.66772s) started
T25 << 1462727383.91977310 Initialization (2054.66796s) stopped
T25 >> 1462727383.92008710 Initialization (2054.66798s) started
T25 << 1462727383.92024589 Initialization (2054.66814s) stopped
T25 >> 1462727383.92040396 Initialization (2054.66816s) started
T25 << 1462727383.92056394 Initialization (2054.66832s) stopped
T25 >> 1462727407.21177197 Initialization (2054.66834s) started
T25 >> 1462727407.54214692 Basic WFS set positions (2.10002s) started
T25 >> 1462727407.54217291 Redistribute (0.26744s) started
T25 << 1462727407.54231691 Redistribute (0.26758s) stopped
T25 << 1462727407.67313004 Basic WFS set positions (2.23100s) stopped
T25 >> 1462727407.67316008 Basis functions set positions (32.62794s) started
T25 << 1462727409.76882601 Basis functions set positions (34.72361s) stopped
T25 >> 1462727409.77196503 TCI: Calculate S, T, P (405.29400s) started
T25 << 1462727435.28656197 TCI: Calculate S, T, P (430.80860s) stopped
T25 >> 1462727435.28666997 blocked summation (341.62161s) started
T25 << 1462727459.54936194 blocked summation (365.88430s) stopped
T25 >> 1462727459.56191301 Scalapack redistribute (4.51945s) started
T25 << 1462727459.70981503 Scalapack redistribute (4.66735s) stopped
T25 >> 1462727459.71090698 blocked summation (365.88434s) started
T25 << 1462727460.89491701 blocked summation (367.06835s) stopped
T25 >> 1462727460.90428495 Scalapack redistribute (4.66742s) started
T25 << 1462727461.13513589 Scalapack redistribute (4.89827s) stopped
T25 >> 1462727461.13753510 Redistribute (0.76213s) started
T25 << 1462727461.13882494 Redistribute (0.76342s) stopped
T25 >> 1462727463.22711492 Redistribute (0.76345s) started
T25 << 1462727463.22836399 Redistribute (0.76469s) stopped
T25 >> 1462727463.25308609 LCAO WFS Initialize (1223.96819s) started
T25 >> 1462727463.25311303 Density initialize from wavefunctions (236.97172s) started
T25 >> 1462727463.25623798 Calculate density matrix (161.93801s) started
T25 << 1462727473.24581909 Calculate density matrix (171.92759s) stopped
T25 >> 1462727473.24587893 Construct density (26.09947s) started
T25 << 1462727474.87782097 Construct density (27.73141s) stopped
T25 >> 1462727474.89118695 Symmetrize density (0.00125s) started
T25 << 1462727474.89124703 Symmetrize density (0.00131s) stopped
T25 << 1462727478.09857702 Density initialize from wavefunctions (251.81718s) stopped
T25 >> 1462727478.09901500 Hamiltonian (985.96900s) started
T25 >> 1462727478.09903193 vbar (0.42926s) started
T25 << 1462727478.11443305 vbar (0.44466s) stopped
T25 >> 1462727478.11452103 XC 3D grid (504.64717s) started
T25 >> 1462727478.60172296 van der Waals (487.78421s) started
T25 >> 1462727478.73700309 semilocal (109.96856s) started
T25 << 1462727485.51840901 semilocal (116.74996s) stopped
T25 >> 1462727485.59460306 redistribute (50.95160s) started
T25 << 1462727486.84220099 redistribute (52.19919s) stopped
T25 >> 1462727486.84228611 libvdwxc nonlocal (323.42584s) started
T25 << 1462727506.42889810 libvdwxc nonlocal (343.01245s) stopped
T25 >> 1462727506.42895889 redistribute (52.19923s) started
T25 << 1462727508.04396605 redistribute (53.81424s) stopped
T25 << 1462727508.04593801 van der Waals (517.22842s) stopped
T25 << 1462727508.52534509 XC 3D grid (535.05799s) stopped
T25 >> 1462727508.52538896 Poisson (268.82777s) started
T25 << 1462727525.90601897 Poisson (286.20840s) stopped
T25 >> 1462727525.90614796 Hartree integrate/restrict (6.58348s) started
T25 << 1462727525.94674397 Hartree integrate/restrict (6.62408s) stopped
T25 >> 1462727525.94686294 Hartree integrate/restrict (6.62416s) started
T25 << 1462727526.31714797 Hartree integrate/restrict (6.99445s) stopped
T25 >> 1462727526.40923405 Atomic (183.71876s) started
T25 >> 1462727526.42741203 XC Correction (137.87603s) started
T25 << 1462727536.15099692 XC Correction (147.59962s) stopped
T25 << 1462727538.82010102 Atomic (196.12963s) stopped
T25 >> 1462727538.82050204 Communicate (20.71605s) started
T25 << 1462727539.37516189 Communicate (21.27071s) stopped
T25 << 1462727539.37518811 Hamiltonian (1047.24517s) stopped
T25 << 1462727539.37525201 LCAO WFS Initialize (1300.09036s) stopped
T25 << 1462727539.38774109 Initialization (2186.84431s) stopped
T25 >> 1462727539.41678190 SCF-cycle (27419.09301s) started
T25 >> 1462727539.41684008 LCAO eigensolver (13065.17858s) started
T25 >> 1462727539.41685605 Potential matrix (441.66179s) started
T25 << 1462727541.80579090 Potential matrix (444.05072s) stopped
T25 >> 1462727541.80589104 DistributedAtomicCorrection (183.66684s) started
T25 << 1462727542.87578797 DistributedAtomicCorrection (184.73673s) stopped
T25 >> 1462727542.87583804 Distribute overlap matrix (996.30308s) started
T25 >> 1462727542.87588596 blocked summation (973.66437s) started
T25 << 1462727548.46830511 blocked summation (979.25679s) stopped
T25 >> 1462727548.47767091 Scalapack redistribute (20.86822s) started
T25 << 1462727548.58463192 Scalapack redistribute (20.97518s) stopped
T25 << 1462727548.58468795 Distribute overlap matrix (1002.01193s) stopped
T25 >> 1462727548.59012508 Blacs Orbital Layouts (10526.21015s) started
T25 >> 1462727548.59837103 General diagonalize (10483.09596s) started
T25 << 1462727606.64687395 General diagonalize (10541.14447s) stopped
T25 >> 1462727606.64692092 Redistribute coefs (3.50315s) started
T25 << 1462727606.66258192 Redistribute coefs (3.51881s) stopped
T25 >> 1462727606.66262388 Send coefs to domains (37.96177s) started
T25 << 1462727607.18031192 Send coefs to domains (38.47946s) stopped
T25 << 1462727607.18081903 Blacs Orbital Layouts (10584.80084s) stopped
T25 >> 1462727607.18084693 Calculate projections (916.26066s) started
T25 << 1462727612.15062094 Calculate projections (921.23044s) stopped
T25 << 1462727612.15096402 LCAO eigensolver (13137.91271s) stopped
T25 >> 1462727613.21966791 Density (2911.06464s) started
T25 >> 1462727613.21968198 Pseudo density (2376.39522s) started
T25 >> 1462727613.22136998 Calculate density matrix (2092.72613s) started
T25 << 1462727626.16090608 Calculate density matrix (2105.66566s) stopped
T25 >> 1462727626.16096807 Construct density (276.10171s) started
T25 << 1462727627.79834509 Construct density (277.73909s) stopped
T25 >> 1462727627.81154704 Symmetrize density (0.01331s) started
T25 << 1462727627.81160498 Symmetrize density (0.01337s) stopped
T25 << 1462727627.81375003 Pseudo density (2390.98929s) stopped
T25 >> 1462727627.81380606 Atomic density matrices (444.08724s) started
T25 << 1462727630.50589991 Atomic density matrices (446.77933s) stopped
T25 >> 1462727630.50594711 Multipole moments (1.54023s) started
T25 << 1462727630.51535106 Multipole moments (1.54964s) stopped
T25 >> 1462727630.51540589 Normalize (1.41567s) started
T25 << 1462727630.52251792 Normalize (1.42278s) stopped
T25 >> 1462727630.52256703 Mix (87.60777s) started
T25 << 1462727630.99095702 Mix (88.07616s) stopped
T25 << 1462727630.99103904 Density (2928.83602s) stopped
T25 >> 1462727630.99116206 Hamiltonian (11202.35227s) started
T25 >> 1462727630.99117804 vbar (4.80572s) started
T25 << 1462727631.01874804 vbar (4.83329s) stopped
T25 >> 1462727631.01887608 XC 3D grid (7669.93417s) started
T25 >> 1462727631.52211499 van der Waals (7501.76116s) started
T25 >> 1462727631.65287590 semilocal (2797.26078s) started
T25 << 1462727638.24055791 semilocal (2803.84846s) stopped
T25 >> 1462727638.30380106 redistribute (1442.45213s) started
T25 << 1462727639.34766507 redistribute (1443.49599s) stopped
T25 >> 1462727639.34770894 libvdwxc nonlocal (3226.44350s) started
T25 << 1462727659.34924102 libvdwxc nonlocal (3246.44503s) stopped
T25 >> 1462727659.34929991 redistribute (1443.49603s) started
T25 << 1462727660.99176097 redistribute (1445.13849s) stopped
T25 << 1462727660.99366403 van der Waals (7531.23271s) stopped
T25 << 1462727661.47412801 XC 3D grid (7700.38942s) stopped
T25 >> 1462727661.47416997 Poisson (1552.73990s) started
T25 << 1462727673.28797102 Poisson (1564.55370s) stopped
T25 >> 1462727673.28809690 Hartree integrate/restrict (65.47159s) started
T25 << 1462727673.35546088 Hartree integrate/restrict (65.53896s) stopped
T25 >> 1462727673.35550404 Hartree integrate/restrict (65.53899s) started
T25 << 1462727673.67776394 Hartree integrate/restrict (65.86125s) stopped
T25 >> 1462727673.73258495 Atomic (1583.71722s) started
T25 >> 1462727673.75018907 XC Correction (1233.12440s) started
T25 << 1462727683.44519591 XC Correction (1242.81940s) stopped
T25 << 1462727686.16576910 Atomic (1596.15041s) stopped
T25 >> 1462727686.16600990 Communicate (316.13273s) started
T25 << 1462727686.40098190 Communicate (316.36771s) stopped
T25 << 1462727686.40100598 Hamiltonian (11257.76212s) stopped
T25 >> 1462727686.40109992 LCAO eigensolver (13137.91273s) started
T25 >> 1462727686.40111494 Potential matrix (444.05078s) started
T25 << 1462727688.78818297 Potential matrix (446.43785s) stopped
T25 >> 1462727688.78827095 DistributedAtomicCorrection (184.73677s) started
T25 << 1462727689.88640904 DistributedAtomicCorrection (185.83491s) stopped
T25 >> 1462727689.88645196 Distribute overlap matrix (1002.01194s) started
T25 >> 1462727689.88650107 blocked summation (979.25682s) started
T25 << 1462727695.55020809 blocked summation (984.92053s) stopped
T25 >> 1462727695.55908704 Scalapack redistribute (20.97522s) started
T25 << 1462727695.66317892 Scalapack redistribute (21.07931s) stopped
T25 << 1462727695.66323590 Distribute overlap matrix (1007.78873s) stopped
T25 >> 1462727695.66903901 Blacs Orbital Layouts (10584.80086s) started
T25 >> 1462727695.67685390 General diagonalize (10541.14450s) started
T25 << 1462727753.04469109 General diagonalize (10598.51234s) stopped
T25 >> 1462727753.04473996 Redistribute coefs (3.51884s) started
T25 << 1462727753.07155204 Redistribute coefs (3.54565s) stopped
T25 >> 1462727753.07159209 Send coefs to domains (38.47950s) started
T25 << 1462727753.89661098 Send coefs to domains (39.30452s) stopped
T25 << 1462727753.89730096 Blacs Orbital Layouts (10643.02912s) stopped
T25 >> 1462727753.89733005 Calculate projections (921.23049s) started
T25 << 1462727758.86102009 Calculate projections (926.19418s) stopped
T25 << 1462727758.86123896 LCAO eigensolver (13210.37287s) stopped
T25 >> 1462727760.06392789 Density (2928.83603s) started
T25 >> 1462727760.06394291 Pseudo density (2390.98933s) started
T25 >> 1462727760.06554198 Calculate density matrix (2105.66570s) started
T25 << 1462727772.90798211 Calculate density matrix (2118.50814s) stopped
T25 >> 1462727772.90803599 Construct density (277.73914s) started
T25 << 1462727774.53261209 Construct density (279.36372s) stopped
T25 >> 1462727774.63043594 Symmetrize density (0.01339s) started
T25 << 1462727774.63050294 Symmetrize density (0.01345s) stopped
T25 << 1462727774.63262296 Pseudo density (2405.55801s) stopped
T25 >> 1462727774.63268590 Atomic density matrices (446.77936s) started
T25 << 1462727777.24651599 Atomic density matrices (449.39319s) stopped
T25 >> 1462727777.24656510 Multipole moments (1.54965s) started
T25 << 1462727777.25606203 Multipole moments (1.55915s) stopped
T25 >> 1462727777.25611901 Normalize (1.42282s) started
T25 << 1462727777.26392293 Normalize (1.43062s) stopped
T25 >> 1462727777.26397800 Mix (88.07624s) started
T25 << 1462727777.71450496 Mix (88.52676s) stopped
T25 << 1462727777.71458411 Density (2946.48669s) stopped
T25 >> 1462727777.71470094 Hamiltonian (11257.76214s) started
T25 >> 1462727777.71471810 vbar (4.83336s) started
T25 << 1462727777.74526811 vbar (4.86391s) stopped
T25 >> 1462727777.74542093 XC 3D grid (7700.38945s) started
T25 >> 1462727778.23580194 van der Waals (7531.23276s) started
T25 >> 1462727778.36779189 semilocal (2803.84853s) started
T25 << 1462727785.11728501 semilocal (2810.59802s) stopped
T25 >> 1462727785.18166304 redistribute (1445.13854s) started
T25 << 1462727786.09059191 redistribute (1446.04747s) stopped
T25 >> 1462727786.09063506 libvdwxc nonlocal (3246.44508s) started
T25 << 1462727805.18883610 libvdwxc nonlocal (3265.54328s) stopped
T25 >> 1462727805.18891001 redistribute (1446.04750s) started
T25 << 1462727807.15530992 redistribute (1448.01390s) stopped
T25 << 1462727807.15709305 van der Waals (7560.15405s) stopped
T25 << 1462727807.64832091 XC 3D grid (7730.29235s) stopped
T25 >> 1462727807.64836192 Poisson (1564.55380s) started
T25 << 1462727822.53062606 Poisson (1579.43606s) stopped
T25 >> 1462727822.53068995 Hartree integrate/restrict (65.86134s) started
T25 << 1462727822.56480694 Hartree integrate/restrict (65.89546s) stopped
T25 >> 1462727822.56487012 Hartree integrate/restrict (65.89550s) started
T25 << 1462727822.92682004 Hartree integrate/restrict (66.25745s) stopped
T25 >> 1462727822.98562002 Atomic (1596.15043s) started
T25 >> 1462727823.00271201 XC Correction (1242.81942s) started
T25 << 1462727832.14675212 XC Correction (1251.96346s) stopped
T25 << 1462727834.39281392 Atomic (1607.55762s) stopped
T25 >> 1462727834.39312410 Communicate (316.36772s) started
T25 << 1462727835.69789410 Communicate (317.67249s) stopped
T25 << 1462727835.69792008 Hamiltonian (11315.74535s) stopped
T25 >> 1462727835.69802308 LCAO eigensolver (13210.37288s) started
T25 >> 1462727835.69803810 Potential matrix (446.43790s) started
T25 << 1462727838.07931995 Potential matrix (448.81918s) stopped
T25 >> 1462727838.07941890 DistributedAtomicCorrection (185.83495s) started
T25 << 1462727839.09566307 DistributedAtomicCorrection (186.85119s) stopped
T25 >> 1462727839.09571195 Distribute overlap matrix (1007.78874s) started
T25 >> 1462727839.09575891 blocked summation (984.92056s) started
T25 << 1462727844.41854811 blocked summation (990.24335s) stopped
T25 >> 1462727844.42724490 Scalapack redistribute (21.07935s) started
T25 << 1462727844.53331900 Scalapack redistribute (21.18542s) stopped
T25 << 1462727844.53340602 Distribute overlap matrix (1013.22643s) stopped
T25 >> 1462727844.53797293 Blacs Orbital Layouts (10643.02914s) started
T25 >> 1462727844.54582906 General diagonalize (10598.51238s) started
T25 << 1462727901.36201406 General diagonalize (10655.32856s) stopped
T25 >> 1462727901.36206293 Redistribute coefs (3.54568s) started
T25 << 1462727901.37830305 Redistribute coefs (3.56192s) stopped
T25 >> 1462727901.37834406 Send coefs to domains (39.30455s) started
T25 << 1462727901.51799202 Send coefs to domains (39.44420s) stopped
T25 << 1462727901.51844096 Blacs Orbital Layouts (10700.00961s) stopped
T25 >> 1462727901.51847005 Calculate projections (926.19424s) started
T25 << 1462727906.48592210 Calculate projections (931.16169s) stopped
T25 << 1462727906.48610592 LCAO eigensolver (13281.16097s) stopped
T25 >> 1462727908.08587003 Density (2946.48670s) started
T25 >> 1462727908.08588505 Pseudo density (2405.55806s) started
T25 >> 1462727908.08753204 Calculate density matrix (2118.50818s) started
T25 << 1462727920.80844498 Calculate density matrix (2131.22909s) stopped
T25 >> 1462727920.80850911 Construct density (279.36378s) started
T25 << 1462727922.43775201 Construct density (280.99302s) stopped
T25 >> 1462727922.47967696 Symmetrize density (0.01347s) started
T25 << 1462727922.47974396 Symmetrize density (0.01354s) stopped
T25 << 1462727922.48188806 Pseudo density (2419.95407s) stopped
T25 >> 1462727922.48194909 Atomic density matrices (449.39321s) started
T25 << 1462727925.16432190 Atomic density matrices (452.07559s) stopped
T25 >> 1462727925.16437101 Multipole moments (1.55917s) started
T25 << 1462727925.17439198 Multipole moments (1.56919s) stopped
T25 >> 1462727925.17445588 Normalize (1.43066s) started
T25 << 1462727925.18588901 Normalize (1.44210s) stopped
T25 >> 1462727925.18596196 Mix (88.52684s) started
T25 << 1462727925.68222904 Mix (89.02311s) stopped
T25 << 1462727925.68233204 Density (2964.08317s) stopped
T25 >> 1462727925.68248010 Hamiltonian (11315.74537s) started
T25 >> 1462727925.68249702 vbar (4.86400s) started
T25 << 1462727925.71114898 vbar (4.89265s) stopped
T25 >> 1462727925.71126509 XC 3D grid (7730.29239s) started
T25 >> 1462727926.20809102 van der Waals (7560.15413s) started
T25 >> 1462727926.33958697 semilocal (2810.59806s) started
T25 << 1462727933.11259604 semilocal (2817.37107s) stopped
T25 >> 1462727933.17895699 redistribute (1448.01403s) started
T25 << 1462727934.10414791 redistribute (1448.93922s) stopped
T25 >> 1462727934.10419202 libvdwxc nonlocal (3265.54333s) started
T25 << 1462727953.22709489 libvdwxc nonlocal (3284.66624s) stopped
T25 >> 1462727953.22716403 redistribute (1448.93925s) started
T25 << 1462727955.27316308 redistribute (1450.98525s) stopped
T25 << 1462727955.27542210 van der Waals (7589.22146s) stopped
T25 << 1462727955.76954103 XC 3D grid (7760.35066s) stopped
T25 >> 1462727955.76958203 Poisson (1579.43611s) started
T25 << 1462727964.49356508 Poisson (1588.16009s) stopped
T25 >> 1462727964.49362898 Hartree integrate/restrict (66.25748s) started
T25 << 1462727964.52882600 Hartree integrate/restrict (66.29268s) stopped
T25 >> 1462727964.52890110 Hartree integrate/restrict (66.29272s) started
T25 << 1462727964.88864708 Hartree integrate/restrict (66.65247s) stopped
T25 >> 1462727964.95061588 Atomic (1607.55764s) started
T25 >> 1462727964.96780109 XC Correction (1251.96350s) started
T25 << 1462727973.89389491 XC Correction (1260.88959s) stopped
T25 << 1462727975.72993207 Atomic (1618.33696s) stopped
T25 >> 1462727975.73018909 Communicate (317.67251s) started
T25 << 1462727977.67348409 Communicate (319.61580s) stopped
T25 << 1462727977.67351007 Hamiltonian (11367.73640s) stopped
T25 >> 1462727977.67360401 LCAO eigensolver (13281.16099s) started
T25 >> 1462727977.67361903 Potential matrix (448.81924s) started
T25 << 1462727980.06292105 Potential matrix (451.20854s) stopped
T25 >> 1462727980.06301498 DistributedAtomicCorrection (186.85123s) started
T25 << 1462727981.07812691 DistributedAtomicCorrection (187.86634s) stopped
T25 >> 1462727981.07817698 Distribute overlap matrix (1013.22645s) started
T25 >> 1462727981.07822800 blocked summation (990.24338s) started
T25 << 1462727986.41984105 blocked summation (995.58500s) stopped
T25 >> 1462727986.42863011 Scalapack redistribute (21.18549s) started
T25 << 1462727986.52471209 Scalapack redistribute (21.28157s) stopped
T25 << 1462727986.52478099 Distribute overlap matrix (1018.67305s) stopped
T25 >> 1462727986.53068304 Blacs Orbital Layouts (10700.00963s) started
T25 >> 1462727986.53898501 General diagonalize (10655.32861s) started
T25 << 1462728043.30677605 General diagonalize (10712.09640s) stopped
T25 >> 1462728043.30682206 Redistribute coefs (3.56195s) started
T25 << 1462728043.32254100 Redistribute coefs (3.57767s) stopped
T25 >> 1462728043.32258296 Send coefs to domains (39.44424s) started
T25 << 1462728043.43384099 Send coefs to domains (39.55550s) stopped
T25 << 1462728043.43438601 Blacs Orbital Layouts (10756.91333s) stopped
T25 >> 1462728043.43441606 Calculate projections (931.16175s) started
T25 << 1462728048.40587592 Calculate projections (936.13321s) stopped
T25 << 1462728048.40605903 LCAO eigensolver (13351.89344s) stopped
T25 >> 1462728052.33709693 Density (2964.08318s) started
T25 >> 1462728052.33711195 Pseudo density (2419.95412s) started
T25 >> 1462728052.34191203 Calculate density matrix (2131.22914s) started
T25 << 1462728062.33829403 Calculate density matrix (2141.22552s) stopped
T25 >> 1462728062.33834791 Construct density (280.99308s) started
T25 << 1462728063.96676803 Construct density (282.62150s) stopped
T25 >> 1462728063.99412489 Symmetrize density (0.01355s) started
T25 << 1462728063.99419093 Symmetrize density (0.01362s) stopped
T25 << 1462728063.99659991 Pseudo density (2431.61361s) stopped
T25 >> 1462728063.99666095 Atomic density matrices (452.07561s) started
T25 << 1462728066.68970990 Atomic density matrices (454.76866s) stopped
T25 >> 1462728066.68975711 Multipole moments (1.56921s) started
T25 << 1462728066.69941711 Multipole moments (1.57887s) stopped
T25 >> 1462728066.69947290 Normalize (1.44215s) started
T25 << 1462728066.70740104 Normalize (1.45008s) stopped
T25 >> 1462728066.70744491 Mix (89.02320s) started
T25 << 1462728067.18448901 Mix (89.50025s) stopped
T25 << 1462728067.18456006 Density (2978.93065s) stopped
T25 >> 1462728067.18468404 Hamiltonian (11367.73641s) started
T25 >> 1462728067.18470192 vbar (4.89271s) started
T25 << 1462728067.21510792 vbar (4.92312s) stopped
T25 >> 1462728067.21524596 XC 3D grid (7760.35069s) started
T25 >> 1462728067.71043396 van der Waals (7589.22156s) started
T25 >> 1462728067.84174609 semilocal (2817.37113s) started
T25 << 1462728079.82240295 semilocal (2829.35179s) stopped
T25 >> 1462728079.91472912 redistribute (1450.98535s) started
T25 << 1462728088.17040896 redistribute (1459.24103s) stopped
T25 >> 1462728088.17045212 libvdwxc nonlocal (3284.66629s) started
T25 << 1462728107.14491606 libvdwxc nonlocal (3303.64075s) stopped
T25 >> 1462728107.14498591 redistribute (1459.24106s) started
T25 << 1462728109.07206893 redistribute (1461.16815s) stopped
T25 << 1462728109.07361293 van der Waals (7630.58474s) stopped
T25 << 1462728109.56396294 XC 3D grid (7802.69941s) stopped
T25 >> 1462728109.56401491 Poisson (1588.16013s) started
T25 << 1462728119.57252598 Poisson (1598.16864s) stopped
T25 >> 1462728119.57268596 Hartree integrate/restrict (66.65250s) started
T25 << 1462728119.61526895 Hartree integrate/restrict (66.69509s) stopped
T25 >> 1462728119.61540294 Hartree integrate/restrict (66.69518s) started
T25 << 1462728120.04135895 Hartree integrate/restrict (67.12114s) stopped
T25 >> 1462728120.09852695 Atomic (1618.33698s) started
T25 >> 1462728120.11602592 XC Correction (1260.88962s) started
T25 << 1462728129.15250397 XC Correction (1269.92609s) stopped
T25 << 1462728130.84083700 Atomic (1629.07929s) stopped
T25 >> 1462728130.84111905 Communicate (319.61582s) started
T25 << 1462728132.50891900 Communicate (321.28362s) stopped
T25 << 1462728132.50894499 Hamiltonian (11433.06067s) stopped
T25 >> 1462728132.50904489 LCAO eigensolver (13351.89346s) started
T25 >> 1462728132.50906110 Potential matrix (451.20859s) started
T25 << 1462728134.88768697 Potential matrix (453.58721s) stopped
T25 >> 1462728134.88778806 DistributedAtomicCorrection (187.86639s) started
T25 << 1462728135.90601993 DistributedAtomicCorrection (188.88462s) stopped
T25 >> 1462728135.90606999 Distribute overlap matrix (1018.67307s) started
T25 >> 1462728135.90611696 blocked summation (995.58503s) started
T25 << 1462728141.22672009 blocked summation (1000.90563s) stopped
T25 >> 1462728141.23625302 Scalapack redistribute (21.28161s) started
T25 << 1462728141.38581491 Scalapack redistribute (21.43118s) stopped
T25 << 1462728141.38591790 Distribute overlap matrix (1024.15291s) stopped
T25 >> 1462728141.39085889 Blacs Orbital Layouts (10756.91335s) started
T25 >> 1462728141.39992404 General diagonalize (10712.09643s) started
T25 << 1462728198.39366889 General diagonalize (10769.09018s) stopped
T25 >> 1462728198.39373493 Redistribute coefs (3.57770s) started
T25 << 1462728198.41085291 Redistribute coefs (3.59482s) stopped
T25 >> 1462728198.41089392 Send coefs to domains (39.55553s) started
T25 << 1462728198.50009394 Send coefs to domains (39.64473s) stopped
T25 << 1462728198.50050902 Blacs Orbital Layouts (10814.02300s) stopped
T25 >> 1462728198.50053692 Calculate projections (936.13327s) started
T25 << 1462728203.46478796 Calculate projections (941.09752s) stopped
T25 << 1462728203.46511197 LCAO eigensolver (13422.84952s) stopped
T25 >> 1462728204.57465196 Density (2978.93066s) started
T25 >> 1462728204.57466793 Pseudo density (2431.61366s) started
T25 >> 1462728204.57647610 Calculate density matrix (2141.22555s) started
T25 << 1462728217.37504601 Calculate density matrix (2154.02412s) stopped
T25 >> 1462728217.37510109 Construct density (282.62155s) started
T25 << 1462728218.99776697 Construct density (284.24422s) stopped
T25 >> 1462728219.10656309 Symmetrize density (0.01364s) started
T25 << 1462728219.10662794 Symmetrize density (0.01370s) stopped
T25 << 1462728219.10876989 Pseudo density (2446.14776s) stopped
T25 >> 1462728219.10882807 Atomic density matrices (454.76869s) started
T25 << 1462728221.69899392 Atomic density matrices (457.35885s) stopped
T25 >> 1462728221.69904709 Multipole moments (1.57888s) started
T25 << 1462728221.70923495 Multipole moments (1.58907s) stopped
T25 >> 1462728221.70929289 Normalize (1.45011s) started
T25 << 1462728221.71962690 Normalize (1.46045s) stopped
T25 >> 1462728221.71970296 Mix (89.50032s) started
T25 << 1462728222.22948408 Mix (90.01010s) stopped
T25 << 1462728222.22956991 Density (2996.58558s) stopped
T25 >> 1462728222.22972703 Hamiltonian (11433.06068s) started
T25 >> 1462728222.22974801 vbar (4.92319s) started
T25 << 1462728222.26204896 vbar (4.95549s) stopped
T25 >> 1462728222.26221204 XC 3D grid (7802.69945s) started
T25 >> 1462728222.76972890 van der Waals (7630.58482s) started
T25 >> 1462728222.90570593 semilocal (2829.35190s) started
T25 << 1462728229.92702389 semilocal (2836.37322s) stopped
T25 >> 1462728229.98276997 redistribute (1461.16825s) started
T25 << 1462728425.74185491 redistribute (1656.92733s) stopped
T25 >> 1462728425.74189806 libvdwxc nonlocal (3303.64080s) started
T25 << 1462728444.66805506 libvdwxc nonlocal (3322.56696s) stopped
T25 >> 1462728444.66809797 redistribute (1656.92737s) started
T25 << 1462728446.61724901 redistribute (1658.87652s) stopped
T25 << 1462728446.61944890 van der Waals (7854.43454s) stopped
T25 << 1462728447.10343790 XC 3D grid (8027.54068s) stopped
T25 >> 1462728447.10348010 Poisson (1598.16877s) started
T25 << 1462728451.49471903 Poisson (1602.56001s) stopped
T25 >> 1462728451.49482703 Hartree integrate/restrict (67.12120s) started
T25 << 1462728451.53631401 Hartree integrate/restrict (67.16269s) stopped
T25 >> 1462728451.53648210 Hartree integrate/restrict (67.16280s) started
T25 << 1462728451.87931800 Hartree integrate/restrict (67.50564s) stopped
T25 >> 1462728451.93791199 Atomic (1629.07931s) started
T25 >> 1462728451.95531201 XC Correction (1269.92612s) started
T25 << 1462728460.89541507 XC Correction (1278.86623s) stopped
T25 << 1462728462.76423693 Atomic (1639.90564s) stopped
T25 >> 1462728462.76450610 Communicate (321.28364s) started
T25 << 1462728464.00318003 Communicate (322.52231s) stopped
T25 << 1462728464.00320601 Hamiltonian (11674.83416s) stopped
T25 >> 1462728464.00330305 LCAO eigensolver (13422.84954s) started
T25 >> 1462728464.00331807 Potential matrix (453.58727s) started
T25 << 1462728466.37789392 Potential matrix (455.96184s) stopped
T25 >> 1462728466.37799406 DistributedAtomicCorrection (188.88466s) started
T25 << 1462728467.36132503 DistributedAtomicCorrection (189.86799s) stopped
T25 >> 1462728467.36142993 Distribute overlap matrix (1024.15293s) started
T25 >> 1462728467.36145592 blocked summation (1000.90566s) started
T25 << 1462728472.68539500 blocked summation (1006.22960s) stopped
T25 >> 1462728472.69488001 Scalapack redistribute (21.43124s) started
T25 << 1462728472.80138898 Scalapack redistribute (21.53775s) stopped
T25 << 1462728472.80150104 Distribute overlap matrix (1029.59300s) stopped
T25 >> 1462728472.80882597 Blacs Orbital Layouts (10814.02302s) started
T25 >> 1462728472.81964803 General diagonalize (10769.09024s) started
T25 << 1462728531.93472695 General diagonalize (10828.20532s) stopped
T25 >> 1462728531.93477511 Redistribute coefs (3.59485s) started
T25 << 1462728531.95109105 Redistribute coefs (3.61117s) stopped
T25 >> 1462728531.95113301 Send coefs to domains (39.64476s) started
T25 << 1462728532.05231810 Send coefs to domains (39.74595s) stopped
T25 << 1462728532.05282688 Blacs Orbital Layouts (10873.26702s) stopped
T25 >> 1462728532.05285597 Calculate projections (941.09757s) started
T25 << 1462728537.02280498 Calculate projections (946.06752s) stopped
T25 << 1462728537.02312589 LCAO eigensolver (13495.86937s) stopped
T25 >> 1462728538.11955190 Density (2996.58560s) started
T25 >> 1462728538.11956692 Pseudo density (2446.14780s) started
T25 >> 1462728538.12112498 Calculate density matrix (2154.02416s) started
T25 << 1462728550.86017990 Calculate density matrix (2166.76321s) stopped
T25 >> 1462728550.86023498 Construct density (284.24428s) started
T25 << 1462728552.49631000 Construct density (285.88035s) stopped
T25 >> 1462728552.52345991 Symmetrize density (0.01372s) started
T25 << 1462728552.52352500 Symmetrize density (0.01378s) stopped
T25 << 1462728552.52565408 Pseudo density (2460.55389s) stopped
T25 >> 1462728552.52571511 Atomic density matrices (457.35888s) started
T25 << 1462728555.22203803 Atomic density matrices (460.05520s) stopped
T25 >> 1462728555.22208691 Multipole moments (1.58909s) started
T25 << 1462728555.22939706 Multipole moments (1.59640s) stopped
T25 >> 1462728555.22948289 Normalize (1.46051s) started
T25 << 1462728555.23717499 Normalize (1.46820s) stopped
T25 >> 1462728555.23721504 Mix (90.01018s) started
T25 << 1462728555.75990510 Mix (90.53287s) stopped
T25 << 1462728555.76001596 Density (3014.22607s) stopped
T25 >> 1462728555.76013803 Hamiltonian (11674.83418s) started
T25 >> 1462728555.76015592 vbar (4.95559s) started
T25 << 1462728555.78865600 vbar (4.98409s) stopped
T25 >> 1462728555.78880095 XC 3D grid (8027.54071s) started
T25 >> 1462728556.28199196 van der Waals (7854.43465s) started
T25 >> 1462728556.41358709 semilocal (2836.37328s) started
T25 << 1462728830.18786001 semilocal (3110.14756s) stopped
T25 >> 1462728830.26510310 redistribute (1658.87663s) started
T25 << 1462728831.53154206 redistribute (1660.14307s) stopped
T25 >> 1462728831.53158402 libvdwxc nonlocal (3322.56699s) started
T25 << 1462728850.60453892 libvdwxc nonlocal (3341.63994s) stopped
T25 >> 1462728850.60461211 redistribute (1660.14310s) started
T25 << 1462728852.77323890 redistribute (1662.31173s) stopped
T25 << 1462728852.77562189 van der Waals (8150.92828s) stopped
T25 << 1462728853.26335597 XC 3D grid (8325.01527s) stopped
T25 >> 1462728853.26339507 Poisson (1602.56010s) started
T25 << 1462728857.95370102 Poisson (1607.25040s) stopped
T25 >> 1462728857.95377803 Hartree integrate/restrict (67.50568s) started
T25 << 1462728857.99931908 Hartree integrate/restrict (67.55122s) stopped
T25 >> 1462728857.99936795 Hartree integrate/restrict (67.55125s) started
T25 << 1462728858.34636998 Hartree integrate/restrict (67.89825s) stopped
T25 >> 1462728858.40448308 Atomic (1639.90566s) started
T25 >> 1462728858.42205191 XC Correction (1278.86626s) started
T25 << 1462728867.43559194 XC Correction (1287.87980s) stopped
T25 << 1462728869.20858312 Atomic (1650.70976s) stopped
T25 >> 1462728869.20880795 Communicate (322.52233s) started
T25 << 1462728870.44766092 Communicate (323.76118s) stopped
T25 << 1462728870.44768596 Hamiltonian (11989.52172s) stopped
T25 >> 1462728870.44778299 LCAO eigensolver (13495.86938s) started
T25 >> 1462728870.44779801 Potential matrix (455.96190s) started
T25 << 1462728872.82235098 Potential matrix (458.33646s) stopped
T25 >> 1462728872.82245111 DistributedAtomicCorrection (189.86803s) started
T25 << 1462728873.83052707 DistributedAtomicCorrection (190.87611s) stopped
T25 >> 1462728873.83057594 Distribute overlap matrix (1029.59301s) started
T25 >> 1462728873.83062506 blocked summation (1006.22964s) started
T25 << 1462728879.19975996 blocked summation (1011.59877s) stopped
T25 >> 1462728879.20918894 Scalapack redistribute (21.53782s) started
T25 << 1462728879.30807400 Scalapack redistribute (21.63670s) stopped
T25 << 1462728879.30821991 Distribute overlap matrix (1035.07065s) stopped
T25 >> 1462728879.31446004 Blacs Orbital Layouts (10873.26704s) started
T25 >> 1462728879.32288098 General diagonalize (10828.20536s) started
T25 << 1462728938.71607089 General diagonalize (10887.59855s) stopped
T25 >> 1462728938.71612191 Redistribute coefs (3.61120s) started
T25 << 1462728938.74249601 Redistribute coefs (3.63758s) stopped
T25 >> 1462728938.74253607 Send coefs to domains (39.74598s) started
T25 << 1462728939.07171893 Send coefs to domains (40.07517s) stopped
T25 << 1462728939.07220888 Blacs Orbital Layouts (10933.02479s) stopped
T25 >> 1462728939.07224011 Calculate projections (946.06758s) started
T25 << 1462728944.03867197 Calculate projections (951.03401s) stopped
T25 << 1462728944.03901100 LCAO eigensolver (13569.46061s) stopped
T25 >> 1462728945.09320211 Density (3014.22608s) started
T25 >> 1462728945.09321690 Pseudo density (2460.55394s) started
T25 >> 1462728945.09470606 Calculate density matrix (2166.76325s) started
T25 << 1462728957.92368388 Calculate density matrix (2179.59223s) stopped
T25 >> 1462728957.92374301 Construct density (285.88041s) started
T25 << 1462728959.54760098 Construct density (287.50427s) stopped
T25 >> 1462728959.59616899 Symmetrize density (0.01380s) started
T25 << 1462728959.59623289 Symmetrize density (0.01386s) stopped
T25 << 1462728959.59834599 Pseudo density (2475.05907s) stopped
T25 >> 1462728959.59840608 Atomic density matrices (460.05523s) started
T25 << 1462728962.29125690 Atomic density matrices (462.74808s) stopped
T25 >> 1462728962.29130507 Multipole moments (1.59644s) started
T25 << 1462728962.30223107 Multipole moments (1.60737s) stopped
T25 >> 1462728962.30228710 Normalize (1.46823s) started
T25 << 1462728962.31137109 Normalize (1.47731s) stopped
T25 >> 1462728962.31142211 Mix (90.53297s) started
T25 << 1462728962.83217692 Mix (91.05373s) stopped
T25 << 1462728962.83226299 Density (3031.96514s) stopped
T25 >> 1462728962.83237290 Hamiltonian (11989.52173s) started
T25 >> 1462728962.83239007 vbar (4.98417s) started
T25 << 1462728962.85378194 vbar (5.00556s) stopped
T25 >> 1462728962.85388303 XC 3D grid (8325.01530s) started
T25 >> 1462728963.54229093 van der Waals (8150.92834s) started
T25 >> 1462728963.67457700 semilocal (3110.14765s) started
T25 << 1462729133.85900903 semilocal (3280.33208s) stopped
T25 >> 1462729133.91953897 redistribute (1662.31184s) started
T25 << 1462729306.78434300 redistribute (1835.17664s) stopped
T25 >> 1462729306.78438497 libvdwxc nonlocal (3341.64000s) started
T25 << 1462729326.65488505 libvdwxc nonlocal (3361.51050s) stopped
T25 >> 1462729326.65495396 redistribute (1835.17668s) started
T25 << 1462729329.09783101 redistribute (1837.61955s) stopped
T25 << 1462729329.09949088 van der Waals (8516.48554s) stopped
T25 << 1462729329.60370207 XC 3D grid (8691.76512s) stopped
T25 >> 1462729329.60374403 Poisson (1607.25046s) started
T25 << 1462729334.07660604 Poisson (1611.72332s) stopped
T25 >> 1462729334.07671499 Hartree integrate/restrict (67.89829s) started
T25 << 1462729334.11985397 Hartree integrate/restrict (67.94143s) stopped
T25 >> 1462729334.11991405 Hartree integrate/restrict (67.94146s) started
T25 << 1462729334.50072193 Hartree integrate/restrict (68.32227s) stopped
T25 >> 1462729334.56075811 Atomic (1650.70978s) started
T25 >> 1462729334.57817101 XC Correction (1287.87982s) started
T25 << 1462729343.63978696 XC Correction (1296.94144s) stopped
T25 << 1462729345.36397696 Atomic (1661.51300s) stopped
T25 >> 1462729345.36425400 Communicate (323.76119s) started
T25 << 1462729346.57438493 Communicate (324.97132s) stopped
T25 << 1462729346.57441092 Hamiltonian (12373.26377s) stopped
T25 >> 1462729346.57450509 LCAO eigensolver (13569.46063s) started
T25 >> 1462729346.57452011 Potential matrix (458.33651s) started
T25 << 1462729348.96565700 Potential matrix (460.72765s) stopped
T25 >> 1462729348.96574593 DistributedAtomicCorrection (190.87615s) started
T25 << 1462729349.96259093 DistributedAtomicCorrection (191.87299s) stopped
T25 >> 1462729349.96263504 Distribute overlap matrix (1035.07067s) started
T25 >> 1462729349.96268296 blocked summation (1011.59880s) started
T25 << 1462729355.32916689 blocked summation (1016.96529s) stopped
T25 >> 1462729355.33919406 Scalapack redistribute (21.63680s) started
T25 << 1462729355.43644905 Scalapack redistribute (21.73405s) stopped
T25 << 1462729355.43653488 Distribute overlap matrix (1040.54457s) stopped
T25 >> 1462729355.44218302 Blacs Orbital Layouts (10933.02481s) started
T25 >> 1462729355.45108104 General diagonalize (10887.59859s) started
T25 << 1462729412.17556095 General diagonalize (10944.32307s) stopped
T25 >> 1462729412.17561007 Redistribute coefs (3.63761s) started
T25 << 1462729412.20625591 Redistribute coefs (3.66825s) stopped
T25 >> 1462729412.20629597 Send coefs to domains (40.07521s) started
T25 << 1462729412.60233593 Send coefs to domains (40.47125s) stopped
T25 << 1462729412.60290003 Blacs Orbital Layouts (10990.18553s) stopped
T25 >> 1462729412.60293007 Calculate projections (951.03407s) started
T25 << 1462729417.52547193 Calculate projections (955.95661s) stopped
T25 << 1462729417.52583408 LCAO eigensolver (13640.41196s) stopped
T25 << 1462729418.67096996 SCF-cycle (29298.34720s) stopped
T25 >> 1462729421.54491591 Force calculation (1469.12378s) started
T25 >> 1462729421.54499698 LCAO forces (1319.84494s) started
T25 >> 1462729421.54539990 Initial (0.00039s) started
T25 << 1462729421.54541111 Initial (0.00040s) stopped
T25 >> 1462729421.55199099 Get density matrix (615.97728s) started
T25 << 1462729430.88449907 Get density matrix (625.30979s) stopped
T25 >> 1462729430.88454509 Potential (210.56172s) started
T25 << 1462729443.25007892 Potential (222.92725s) stopped
T25 >> 1462729443.25013089 Get density matrix (625.30983s) started
T25 << 1462729470.41136789 Get density matrix (652.47106s) stopped
T25 >> 1462729470.41142893 Prepare TCI loop (41.27399s) started
T25 >> 1462729470.41199899 Get neighbors (37.27775s) started
T25 << 1462729472.67685390 Get neighbors (39.54261s) stopped
T25 >> 1462729472.67732000 broadcast dH (3.97675s) started
T25 << 1462729472.83098888 broadcast dH (4.13042s) stopped
T25 << 1462729472.83104205 Prepare TCI loop (43.69360s) stopped
T25 >> 1462729472.83106208 Not so complicated loop (176.71617s) started
T25 << 1462729483.42286897 Not so complicated loop (187.30797s) stopped
T25 >> 1462729483.54102397 Complicated loop (273.15488s) started
T25 << 1462729499.71503711 Complicated loop (289.32889s) stopped
T25 >> 1462729499.71815991 Wait for sum (0.00174s) started
T25 << 1462729499.71824288 Wait for sum (0.00182s) stopped
T25 << 1462729499.71825790 LCAO forces (1398.01820s) stopped
T25 << 1462729508.86708307 Force calculation (1556.44594s) stopped
T25 >> 1462729508.88717604 Initialization (2186.84433s) started
T25 << 1462729508.88739991 Initialization (2186.84455s) stopped
T25 >> 1462729508.88772297 Initialization (2186.84457s) started
T25 << 1462729508.88788295 Initialization (2186.84473s) stopped
T25 >> 1462729508.88804793 Initialization (2186.84474s) started
T25 << 1462729508.88820410 Initialization (2186.84490s) stopped
T25 >> 1462729532.27493405 Initialization (2186.84492s) started
T25 >> 1462729532.43997693 Basic WFS set positions (2.23103s) started
T25 >> 1462729532.44000101 Redistribute (0.26760s) started
T25 << 1462729532.44233203 Redistribute (0.26993s) stopped
T25 << 1462729532.57344508 Basic WFS set positions (2.36449s) stopped
T25 >> 1462729532.57347298 Basis functions set positions (34.72364s) started
T25 << 1462729534.73903894 Basis functions set positions (36.88920s) stopped
T25 >> 1462729534.74242592 TCI: Calculate S, T, P (430.80863s) started
T25 << 1462729561.09837794 TCI: Calculate S, T, P (457.16458s) stopped
T25 >> 1462729561.09849596 blocked summation (367.06839s) started
T25 << 1462729588.51835704 blocked summation (394.48825s) stopped
T25 >> 1462729588.53785205 Scalapack redistribute (4.89832s) started
T25 << 1462729588.65925503 Scalapack redistribute (5.01972s) stopped
T25 >> 1462729588.66042805 blocked summation (394.48829s) started
T25 << 1462729589.98975801 blocked summation (395.81762s) stopped
T25 >> 1462729589.99968791 Scalapack redistribute (5.01979s) started
T25 << 1462729590.10177398 Scalapack redistribute (5.12188s) stopped
T25 >> 1462729590.10608292 Redistribute (0.76477s) started
T25 << 1462729590.10737705 Redistribute (0.76606s) stopped
T25 >> 1462729592.10763788 Redistribute (0.76609s) started
T25 << 1462729592.10883188 Redistribute (0.76728s) stopped
T25 >> 1462729592.13954401 LCAO WFS Initialize (1300.09039s) started
T25 >> 1462729592.13957000 Density initialize from wavefunctions (251.81724s) started
T25 >> 1462729592.14314508 Calculate density matrix (171.92763s) started
T25 << 1462729602.13760710 Calculate density matrix (181.92210s) stopped
T25 >> 1462729602.13766503 Construct density (27.73146s) started
T25 << 1462729603.77848005 Construct density (29.37228s) stopped
T25 >> 1462729603.79187489 Symmetrize density (0.00132s) started
T25 << 1462729603.79193711 Symmetrize density (0.00139s) stopped
T25 << 1462729606.81610799 Density initialize from wavefunctions (266.49377s) stopped
T25 >> 1462729606.81689811 Hamiltonian (1047.24518s) started
T25 >> 1462729606.81691909 vbar (0.44471s) started
T25 << 1462729606.84391689 vbar (0.47171s) stopped
T25 >> 1462729606.84403205 XC 3D grid (535.05802s) started
T25 >> 1462729607.35928392 van der Waals (517.22850s) started
T25 >> 1462729607.49395204 semilocal (116.75005s) started
T25 << 1462729614.18037295 semilocal (123.43647s) stopped
T25 >> 1462729614.24195194 redistribute (53.81432s) started
T25 << 1462729615.14586806 redistribute (54.71824s) stopped
T25 >> 1462729615.14595509 libvdwxc nonlocal (343.01249s) started
T25 << 1462729634.37028694 libvdwxc nonlocal (362.23683s) stopped
T25 >> 1462729634.37034798 redistribute (54.71827s) started
T25 << 1462729636.41471410 redistribute (56.76264s) stopped
T25 << 1462729636.41672492 van der Waals (546.28594s) stopped
T25 << 1462729636.90913105 XC 3D grid (565.12312s) stopped
T25 >> 1462729636.90916991 Poisson (286.20849s) started
T25 << 1462729648.63702893 Poisson (297.93635s) stopped
T25 >> 1462729648.63709593 Hartree integrate/restrict (6.99448s) started
T25 << 1462729648.69501591 Hartree integrate/restrict (7.05240s) stopped
T25 >> 1462729648.69507694 Hartree integrate/restrict (7.05243s) started
T25 << 1462729649.02475405 Hartree integrate/restrict (7.38211s) stopped
T25 >> 1462729649.08431101 Atomic (196.12965s) started
T25 >> 1462729649.10216498 XC Correction (147.59965s) started
T25 << 1462729659.25959492 XC Correction (157.75708s) stopped
T25 << 1462729662.06137991 Atomic (209.10672s) stopped
T25 >> 1462729662.06170988 Communicate (21.27073s) started
T25 << 1462729662.51929903 Communicate (21.72832s) stopped
T25 << 1462729662.51932192 Hamiltonian (1102.94761s) stopped
T25 << 1462729662.51938105 LCAO WFS Initialize (1370.47022s) stopped
T25 << 1462729662.53149390 Initialization (2317.10148s) stopped
T25 >> 1462729662.56019211 SCF-cycle (29298.34722s) started
T25 >> 1462729662.56024098 LCAO eigensolver (13640.41198s) started
T25 >> 1462729662.56025410 Potential matrix (460.72770s) started
T25 << 1462729664.94772291 Potential matrix (463.11517s) stopped
T25 >> 1462729664.94780302 DistributedAtomicCorrection (191.87303s) started
T25 << 1462729665.94818592 DistributedAtomicCorrection (192.87341s) stopped
T25 >> 1462729665.94822907 Distribute overlap matrix (1040.54458s) started
T25 >> 1462729665.94826388 blocked summation (1016.96532s) started
T25 << 1462729671.56432295 blocked summation (1022.58138s) stopped
T25 >> 1462729671.57403207 Scalapack redistribute (21.73410s) started
T25 << 1462729671.70841599 Scalapack redistribute (21.86849s) stopped
T25 << 1462729671.70848989 Distribute overlap matrix (1046.30484s) stopped
T25 >> 1462729671.71561503 Blacs Orbital Layouts (10990.18555s) started
T25 >> 1462729671.72357798 General diagonalize (10944.32311s) started
T25 << 1462729731.36642599 General diagonalize (11003.96596s) stopped
T25 >> 1462729731.36647606 Redistribute coefs (3.66828s) started
T25 << 1462729731.38334799 Redistribute coefs (3.68515s) stopped
T25 >> 1462729731.38339090 Send coefs to domains (40.47129s) started
T25 << 1462729731.46983910 Send coefs to domains (40.55774s) stopped
T25 << 1462729731.47033405 Blacs Orbital Layouts (11049.94027s) stopped
T25 >> 1462729731.47036290 Calculate projections (955.95666s) started
T25 << 1462729736.30523610 Calculate projections (960.79154s) stopped
T25 << 1462729736.30559492 LCAO eigensolver (13714.15733s) stopped
T25 >> 1462729737.51096010 Density (3031.96516s) started
T25 >> 1462729737.51097298 Pseudo density (2475.05912s) started
T25 >> 1462729737.51260996 Calculate density matrix (2179.59226s) started
T25 << 1462729750.38748908 Calculate density matrix (2192.46714s) stopped
T25 >> 1462729750.38754702 Construct density (287.50432s) started
T25 << 1462729752.01789904 Construct density (289.13467s) stopped
T25 >> 1462729752.04006410 Symmetrize density (0.01388s) started
T25 << 1462729752.04012489 Symmetrize density (0.01394s) stopped
T25 << 1462729752.04245090 Pseudo density (2489.59060s) stopped
T25 >> 1462729752.04250598 Atomic density matrices (462.74811s) started
T25 << 1462729754.75207210 Atomic density matrices (465.45767s) stopped
T25 >> 1462729754.75211906 Multipole moments (1.60739s) started
T25 << 1462729754.76145601 Multipole moments (1.61672s) stopped
T25 >> 1462729754.76151395 Normalize (1.47735s) started
T25 << 1462729754.77087092 Normalize (1.48671s) stopped
T25 >> 1462729754.77098799 Mix (91.05381s) started
T25 << 1462729755.18778491 Mix (91.47061s) stopped
T25 << 1462729755.18783212 Density (3049.64203s) stopped
T25 >> 1462729755.18796611 Hamiltonian (12373.26379s) started
T25 >> 1462729755.18798399 vbar (5.00562s) started
T25 << 1462729755.21804500 vbar (5.03568s) stopped
T25 >> 1462729755.21816611 XC 3D grid (8691.76515s) started
T25 >> 1462729755.70439506 van der Waals (8516.48562s) started
T25 >> 1462729755.83529305 semilocal (3280.33216s) started
T25 << 1462729762.27947402 semilocal (3286.77634s) stopped
T25 >> 1462729762.35539198 redistribute (1837.61960s) started
T25 << 1462729763.54775095 redistribute (1838.81196s) stopped
T25 >> 1462729763.54779506 libvdwxc nonlocal (3361.51055s) started
T25 << 1462729782.80864406 libvdwxc nonlocal (3380.77140s) stopped
T25 >> 1462729782.80870295 redistribute (1838.81199s) started
T25 << 1462729784.46474195 redistribute (1840.46803s) stopped
T25 << 1462729784.46689796 van der Waals (8545.24813s) stopped
T25 << 1462729784.94579506 XC 3D grid (8721.49278s) stopped
T25 >> 1462729784.94583702 Poisson (1611.72341s) started
T25 << 1462729792.21362805 Poisson (1618.99120s) stopped
T25 >> 1462729792.21371007 Hartree integrate/restrict (68.32231s) started
T25 << 1462729792.26975298 Hartree integrate/restrict (68.37836s) stopped
T25 >> 1462729792.26981091 Hartree integrate/restrict (68.37840s) started
T25 << 1462729792.58959699 Hartree integrate/restrict (68.69818s) stopped
T25 >> 1462729792.64660406 Atomic (1661.51302s) started
T25 >> 1462729792.66419601 XC Correction (1296.94147s) started
T25 << 1462729802.62665296 XC Correction (1306.90392s) stopped
T25 << 1462729805.65419888 Atomic (1674.52061s) stopped
T25 >> 1462729805.65444112 Communicate (324.97134s) started
T25 << 1462729805.76808596 Communicate (325.08499s) stopped
T25 << 1462729805.76811004 Hamiltonian (12423.84393s) stopped
T25 >> 1462729805.76820493 LCAO eigensolver (13714.15735s) started
T25 >> 1462729805.76821899 Potential matrix (463.11522s) started
T25 << 1462729808.15933108 Potential matrix (465.50633s) stopped
T25 >> 1462729808.15942097 DistributedAtomicCorrection (192.87345s) started
T25 << 1462729809.10119796 DistributedAtomicCorrection (193.81523s) stopped
T25 >> 1462729809.10124111 Distribute overlap matrix (1046.30485s) started
T25 >> 1462729809.10127497 blocked summation (1022.58141s) started
T25 << 1462729814.69542694 blocked summation (1028.17557s) stopped
T25 >> 1462729814.70510292 Scalapack redistribute (21.86852s) started
T25 << 1462729814.81729293 Scalapack redistribute (21.98071s) stopped
T25 << 1462729814.81735802 Distribute overlap matrix (1052.02097s) stopped
T25 >> 1462729814.82260799 Blacs Orbital Layouts (11049.94028s) started
T25 >> 1462729814.83062100 General diagonalize (11003.96600s) started
T25 << 1462729871.84692407 General diagonalize (11060.98230s) stopped
T25 >> 1462729871.84697008 Redistribute coefs (3.68519s) started
T25 << 1462729871.86248589 Redistribute coefs (3.70070s) stopped
T25 >> 1462729871.86252809 Send coefs to domains (40.55778s) started
T25 << 1462729872.05961895 Send coefs to domains (40.75487s) stopped
T25 << 1462729872.06014490 Blacs Orbital Layouts (11107.17782s) stopped
T25 >> 1462729872.06017399 Calculate projections (960.79159s) started
T25 << 1462729876.90934992 Calculate projections (965.64077s) stopped
T25 << 1462729876.90970302 LCAO eigensolver (13785.29885s) stopped
T25 >> 1462729878.09127593 Density (3049.64205s) started
T25 >> 1462729878.09129000 Pseudo density (2489.59064s) started
T25 >> 1462729878.09321809 Calculate density matrix (2192.46718s) started
T25 << 1462729891.08556390 Calculate density matrix (2205.45953s) stopped
T25 >> 1462729891.08563304 Construct density (289.13473s) started
T25 << 1462729892.71117592 Construct density (290.76027s) stopped
T25 >> 1462729892.72637010 Symmetrize density (0.01396s) started
T25 << 1462729892.72643304 Symmetrize density (0.01402s) stopped
T25 << 1462729892.72884703 Pseudo density (2504.22820s) stopped
T25 >> 1462729892.72890210 Atomic density matrices (465.45770s) started
T25 << 1462729895.42517090 Atomic density matrices (468.15397s) stopped
T25 >> 1462729895.42521811 Multipole moments (1.61674s) started
T25 << 1462729895.43569493 Multipole moments (1.62722s) stopped
T25 >> 1462729895.43575406 Normalize (1.48681s) started
T25 << 1462729895.44863200 Normalize (1.49969s) stopped
T25 >> 1462729895.44868207 Mix (91.47065s) started
T25 << 1462729895.93638706 Mix (91.95836s) stopped
T25 << 1462729895.93644309 Density (3067.48721s) stopped
T25 >> 1462729895.93658805 Hamiltonian (12423.84394s) started
T25 >> 1462729895.93660688 vbar (5.03575s) started
T25 << 1462729895.96397710 vbar (5.06312s) stopped
T25 >> 1462729895.96408606 XC 3D grid (8721.49281s) started
T25 >> 1462729896.45442009 van der Waals (8545.24821s) started
T25 >> 1462729896.58916092 semilocal (3286.77642s) started
T25 << 1462729903.16178799 semilocal (3293.34904s) stopped
T25 >> 1462729903.26223397 redistribute (1840.46816s) started
T25 << 1462729904.72834110 redistribute (1841.93426s) stopped
T25 >> 1462729904.72838497 libvdwxc nonlocal (3380.77145s) started
T25 << 1462729923.70823097 libvdwxc nonlocal (3399.75129s) stopped
T25 >> 1462729923.70829797 redistribute (1841.93430s) started
T25 << 1462729925.45644212 redistribute (1843.68244s) stopped
T25 << 1462729925.45862794 van der Waals (8574.25242s) stopped
T25 << 1462729925.94040394 XC 3D grid (8751.46913s) stopped
T25 >> 1462729925.94044805 Poisson (1618.99126s) started
T25 << 1462729931.65426397 Poisson (1624.70508s) stopped
T25 >> 1462729931.65433002 Hartree integrate/restrict (68.69822s) started
T25 << 1462729931.70283198 Hartree integrate/restrict (68.74672s) stopped
T25 >> 1462729931.70290709 Hartree integrate/restrict (68.74677s) started
T25 << 1462729932.03942895 Hartree integrate/restrict (69.08329s) stopped
T25 >> 1462729932.09514403 Atomic (1674.52063s) started
T25 >> 1462729932.11198306 XC Correction (1306.90395s) started
T25 << 1462729941.41746902 XC Correction (1316.20943s) stopped
T25 << 1462729944.12463307 Atomic (1686.55012s) stopped
T25 >> 1462729944.12492108 Communicate (325.08500s) started
T25 << 1462729945.18693209 Communicate (326.14701s) stopped
T25 << 1462729945.18695688 Hamiltonian (12473.09431s) stopped
T25 >> 1462729945.18705606 LCAO eigensolver (13785.29887s) started
T25 >> 1462729945.18707490 Potential matrix (465.50638s) started
T25 << 1462729947.57539892 Potential matrix (467.89470s) stopped
T25 >> 1462729947.57548809 DistributedAtomicCorrection (193.81526s) started
T25 << 1462729948.56119990 DistributedAtomicCorrection (194.80097s) stopped
T25 >> 1462729948.56124401 Distribute overlap matrix (1052.02098s) started
T25 >> 1462729948.56128907 blocked summation (1028.17560s) started
T25 << 1462729953.95045805 blocked summation (1033.56477s) stopped
T25 >> 1462729953.95999503 Scalapack redistribute (21.98075s) started
T25 << 1462729954.07560301 Scalapack redistribute (22.09636s) stopped
T25 << 1462729954.07569194 Distribute overlap matrix (1057.53543s) stopped
T25 >> 1462729954.08105397 Blacs Orbital Layouts (11107.17784s) started
T25 >> 1462729954.08996010 General diagonalize (11060.98234s) started
T25 << 1462730008.69906306 General diagonalize (11115.59144s) stopped
T25 >> 1462730008.69911504 Redistribute coefs (3.70074s) started
T25 << 1462730008.71607089 Redistribute coefs (3.71769s) stopped
T25 >> 1462730008.71611309 Send coefs to domains (40.75492s) started
T25 << 1462730008.80903506 Send coefs to domains (40.84784s) stopped
T25 << 1462730008.80950499 Blacs Orbital Layouts (11161.90629s) stopped
T25 >> 1462730008.80953693 Calculate projections (965.64082s) started
T25 << 1462730013.66616392 Calculate projections (970.49744s) stopped
T25 << 1462730013.66634011 LCAO eigensolver (13853.77815s) stopped
T25 >> 1462730014.84293199 Density (3067.48723s) started
T25 >> 1462730014.84294701 Pseudo density (2504.22824s) started
T25 >> 1462730014.84544897 Calculate density matrix (2205.45957s) started
T25 << 1462730027.77843094 Calculate density matrix (2218.39255s) stopped
T25 >> 1462730027.77849388 Construct density (290.76032s) started
T25 << 1462730029.41661310 Construct density (292.39844s) stopped
T25 >> 1462730029.43034792 Symmetrize density (0.01404s) started
T25 << 1462730029.43040991 Symmetrize density (0.01410s) stopped
T25 << 1462730029.43279505 Pseudo density (2518.81809s) stopped
T25 >> 1462730029.43285203 Atomic density matrices (468.15399s) started
T25 << 1462730032.13178611 Atomic density matrices (470.85293s) stopped
T25 >> 1462730032.13183308 Multipole moments (1.62723s) started
T25 << 1462730032.14279699 Multipole moments (1.63820s) stopped
T25 >> 1462730032.14285398 Normalize (1.49973s) started
T25 << 1462730032.15488005 Normalize (1.51175s) stopped
T25 >> 1462730032.15495610 Mix (91.95841s) started
T25 << 1462730032.63095999 Mix (92.43442s) stopped
T25 << 1462730032.63103390 Density (3085.27533s) stopped
T25 >> 1462730032.63115907 Hamiltonian (12473.09433s) started
T25 >> 1462730032.63117695 vbar (5.06318s) started
T25 << 1462730032.66122007 vbar (5.09322s) stopped
T25 >> 1462730032.66133595 XC 3D grid (8751.46917s) started
T25 >> 1462730033.15196705 van der Waals (8574.25249s) started
T25 >> 1462730033.28359389 semilocal (3293.34913s) started
T25 << 1462730039.70870996 semilocal (3299.77425s) stopped
T25 >> 1462730039.79456306 redistribute (1843.68255s) started
T25 << 1462730041.29403400 redistribute (1845.18202s) stopped
T25 >> 1462730041.29408193 libvdwxc nonlocal (3399.75134s) started
T25 << 1462730060.48055410 libvdwxc nonlocal (3418.93781s) stopped
T25 >> 1462730060.48061991 redistribute (1845.18205s) started
T25 << 1462730062.40088201 redistribute (1847.10232s) stopped
T25 << 1462730062.40243196 van der Waals (8603.50295s) stopped
T25 << 1462730062.89473104 XC 3D grid (8781.70256s) stopped
T25 >> 1462730062.89477301 Poisson (1624.70513s) started
T25 << 1462730068.79679203 Poisson (1630.60715s) stopped
T25 >> 1462730068.79685903 Hartree integrate/restrict (69.08333s) started
T25 << 1462730068.84606600 Hartree integrate/restrict (69.13254s) stopped
T25 >> 1462730068.84612799 Hartree integrate/restrict (69.13258s) started
T25 << 1462730069.19177389 Hartree integrate/restrict (69.47823s) stopped
T25 >> 1462730069.24888110 Atomic (1686.55015s) started
T25 >> 1462730069.26595306 XC Correction (1316.20946s) started
T25 << 1462730078.34474206 XC Correction (1325.28825s) stopped
T25 << 1462730080.51141310 Atomic (1697.81268s) stopped
T25 >> 1462730080.51169491 Communicate (326.14703s) started
T25 << 1462730082.28103304 Communicate (327.91637s) stopped
T25 << 1462730082.28105688 Hamiltonian (12522.74422s) stopped
T25 >> 1462730082.28115797 LCAO eigensolver (13853.77817s) started
T25 >> 1462730082.28117299 Potential matrix (467.89476s) started
T25 << 1462730084.67517090 Potential matrix (470.28876s) stopped
T25 >> 1462730084.67525792 DistributedAtomicCorrection (194.80101s) started
T25 << 1462730085.67097497 DistributedAtomicCorrection (195.79673s) stopped
T25 >> 1462730085.67101908 Distribute overlap matrix (1057.53544s) started
T25 >> 1462730085.67106605 blocked summation (1033.56480s) started
T25 << 1462730091.04974008 blocked summation (1038.94348s) stopped
T25 >> 1462730091.05876207 Scalapack redistribute (22.09641s) started
T25 << 1462730091.18147802 Scalapack redistribute (22.21913s) stopped
T25 << 1462730091.18156910 Distribute overlap matrix (1063.04599s) stopped
T25 >> 1462730091.18706489 Blacs Orbital Layouts (11161.90631s) started
T25 >> 1462730091.19568491 General diagonalize (11115.59149s) started
T25 << 1462730146.67610312 General diagonalize (11171.07190s) stopped
T25 >> 1462730146.67615104 Redistribute coefs (3.71772s) started
T25 << 1462730146.69263506 Redistribute coefs (3.73421s) stopped
T25 >> 1462730146.69267797 Send coefs to domains (40.84788s) started
T25 << 1462730147.01112700 Send coefs to domains (41.16633s) stopped
T25 << 1462730147.01161098 Blacs Orbital Layouts (11217.73086s) stopped
T25 >> 1462730147.01164103 Calculate projections (970.49749s) started
T25 << 1462730151.84647608 Calculate projections (975.33232s) stopped
T25 << 1462730151.84666204 LCAO eigensolver (13923.34367s) stopped
T25 >> 1462730153.04783893 Density (3085.27535s) started
T25 >> 1462730153.04785395 Pseudo density (2518.81814s) started
T25 >> 1462730153.04950094 Calculate density matrix (2218.39259s) started
T25 << 1462730165.90840006 Calculate density matrix (2231.25149s) stopped
T25 >> 1462730165.90845895 Construct density (292.39849s) started
T25 << 1462730167.54379201 Construct density (294.03383s) stopped
T25 >> 1462730167.55706692 Symmetrize density (0.01412s) started
T25 << 1462730167.55712605 Symmetrize density (0.01418s) stopped
T25 << 1462730167.55946493 Pseudo density (2533.32975s) stopped
T25 >> 1462730167.55951691 Atomic density matrices (470.85295s) started
T25 << 1462730170.23721194 Atomic density matrices (473.53065s) stopped
T25 >> 1462730170.23725891 Multipole moments (1.63822s) started
T25 << 1462730170.24779892 Multipole moments (1.64876s) stopped
T25 >> 1462730170.24785805 Normalize (1.51181s) started
T25 << 1462730170.25767994 Normalize (1.52163s) stopped
T25 >> 1462730170.25775003 Mix (92.43449s) started
T25 << 1462730170.77316403 Mix (92.94990s) stopped
T25 << 1462730170.77325010 Density (3103.00076s) stopped
T25 >> 1462730170.77337098 Hamiltonian (12522.74424s) started
T25 >> 1462730170.77339005 vbar (5.09329s) started
T25 << 1462730170.79890895 vbar (5.11880s) stopped
T25 >> 1462730170.79900503 XC 3D grid (8781.70259s) started
T25 >> 1462730171.28854489 van der Waals (8603.50305s) started
T25 >> 1462730171.42097402 semilocal (3299.77433s) started
T25 << 1462730206.88967109 semilocal (3335.24303s) stopped
T25 >> 1462730206.94734406 redistribute (1847.10240s) started
T25 << 1462730207.84288502 redistribute (1847.99794s) stopped
T25 >> 1462730207.84292889 libvdwxc nonlocal (3418.93786s) started
T25 << 1462730227.12175608 libvdwxc nonlocal (3438.21669s) stopped
T25 >> 1462730227.12182808 redistribute (1847.99798s) started
T25 << 1462730228.74245906 redistribute (1849.61861s) stopped
T25 << 1462730228.74511909 van der Waals (8660.95962s) stopped
T25 << 1462730229.24177098 XC 3D grid (8840.14536s) stopped
T25 >> 1462730229.24181390 Poisson (1630.60720s) started
T25 << 1462730236.55113006 Poisson (1637.91651s) stopped
T25 >> 1462730236.55128598 Hartree integrate/restrict (69.47826s) started
T25 << 1462730236.59406805 Hartree integrate/restrict (69.52105s) stopped
T25 >> 1462730236.59419298 Hartree integrate/restrict (69.52114s) started
T25 << 1462730236.95514393 Hartree integrate/restrict (69.88209s) stopped
T25 >> 1462730237.01287508 Atomic (1697.81270s) started
T25 >> 1462730237.03038692 XC Correction (1325.28828s) started
T25 << 1462730246.15386796 XC Correction (1334.41176s) stopped
T25 << 1462730248.16089201 Atomic (1708.96072s) stopped
T25 >> 1462730248.16119003 Communicate (327.91638s) started
T25 << 1462730250.09298992 Communicate (329.84818s) stopped
T25 << 1462730250.09301805 Hamiltonian (12602.06388s) stopped
T25 >> 1462730250.09314203 LCAO eigensolver (13923.34369s) started
T25 >> 1462730250.09315801 Potential matrix (470.28881s) started
T25 << 1462730252.49105501 Potential matrix (472.68670s) stopped
T25 >> 1462730252.49115396 DistributedAtomicCorrection (195.79676s) started
T25 << 1462730253.47778797 DistributedAtomicCorrection (196.78340s) stopped
T25 >> 1462730253.47783804 Distribute overlap matrix (1063.04601s) started
T25 >> 1462730253.47788501 blocked summation (1038.94351s) started
T25 << 1462730258.83779001 blocked summation (1044.30341s) stopped
T25 >> 1462730258.84685707 Scalapack redistribute (22.21919s) started
T25 << 1462730258.96320009 Scalapack redistribute (22.33553s) stopped
T25 << 1462730258.96331811 Distribute overlap matrix (1068.53149s) stopped
T25 >> 1462730258.96997595 Blacs Orbital Layouts (11217.73088s) started
T25 >> 1462730258.97827196 General diagonalize (11171.07194s) started
T25 << 1462730316.93129897 General diagonalize (11229.02497s) stopped
T25 >> 1462730316.93134904 Redistribute coefs (3.73424s) started
T25 << 1462730316.94809699 Redistribute coefs (3.75099s) stopped
T25 >> 1462730316.94813895 Send coefs to domains (41.16638s) started
T25 << 1462730317.06662607 Send coefs to domains (41.28486s) stopped
T25 << 1462730317.06716394 Blacs Orbital Layouts (11275.82807s) stopped
T25 >> 1462730317.06719208 Calculate projections (975.33238s) started
T25 << 1462730321.94891810 Calculate projections (980.21410s) stopped
T25 << 1462730321.94909596 LCAO eigensolver (13995.19965s) stopped
T25 >> 1462730323.06077409 Density (3103.00077s) started
T25 >> 1462730323.06078792 Pseudo density (2533.32979s) started
T25 >> 1462730323.06206799 Calculate density matrix (2231.25153s) started
T25 << 1462730336.03104305 Calculate density matrix (2244.22051s) stopped
T25 >> 1462730336.03109694 Construct density (294.03388s) started
T25 << 1462730337.65946507 Construct density (295.66225s) stopped
T25 >> 1462730337.67949104 Symmetrize density (0.01420s) started
T25 << 1462730337.67955494 Symmetrize density (0.01426s) stopped
T25 << 1462730337.68159890 Pseudo density (2547.95060s) stopped
T25 >> 1462730337.68165994 Atomic density matrices (473.53067s) started
T25 << 1462730340.38087606 Atomic density matrices (476.22989s) stopped
T25 >> 1462730340.38092399 Multipole moments (1.64877s) started
T25 << 1462730340.39194894 Multipole moments (1.65980s) stopped
T25 >> 1462730340.39201188 Normalize (1.52168s) started
T25 << 1462730340.39917397 Normalize (1.52885s) stopped
T25 >> 1462730340.39924002 Mix (92.94999s) started
T25 << 1462730340.94452596 Mix (93.49527s) stopped
T25 << 1462730340.94459295 Density (3120.88459s) stopped
T25 >> 1462730340.94468689 Hamiltonian (12602.06390s) started
T25 >> 1462730340.94470310 vbar (5.11886s) started
T25 << 1462730340.96910310 vbar (5.14326s) stopped
T25 >> 1462730340.96922207 XC 3D grid (8840.14540s) started
T25 >> 1462730341.51244211 van der Waals (8660.95972s) started
T25 >> 1462730341.64461708 semilocal (3335.24310s) started
T25 << 1462730709.40758395 semilocal (3703.00606s) stopped
T25 >> 1462730709.49934101 redistribute (1849.61871s) started
T25 << 1462730711.35786700 redistribute (1851.47723s) stopped
T25 >> 1462730711.35790896 libvdwxc nonlocal (3438.21674s) started
T25 << 1462730730.40249205 libvdwxc nonlocal (3457.26133s) stopped
T25 >> 1462730730.40255308 redistribute (1851.47727s) started
T25 << 1462730732.48737407 redistribute (1853.56209s) stopped
T25 << 1462730732.48971009 van der Waals (9051.93699s) stopped
T25 << 1462730732.98374891 XC 3D grid (9232.15992s) stopped
T25 >> 1462730732.98378706 Poisson (1637.91663s) started
T25 << 1462730737.34753489 Poisson (1642.28038s) stopped
T25 >> 1462730737.34765196 Hartree integrate/restrict (69.88212s) started
T25 << 1462730737.38982606 Hartree integrate/restrict (69.92429s) stopped
T25 >> 1462730737.38996291 Hartree integrate/restrict (69.92440s) started
T25 << 1462730737.74117494 Hartree integrate/restrict (70.27561s) stopped
T25 >> 1462730737.79994392 Atomic (1708.96074s) started
T25 >> 1462730737.81727791 XC Correction (1334.41179s) started
T25 << 1462730746.93399310 XC Correction (1343.52850s) stopped
T25 << 1462730748.97050500 Atomic (1720.13130s) stopped
T25 >> 1462730748.97078490 Communicate (329.84820s) started
T25 << 1462730750.71910405 Communicate (331.59652s) stopped
T25 << 1462730750.71913004 Hamiltonian (13011.83834s) stopped
T25 >> 1462730750.71923208 LCAO eigensolver (13995.19966s) started
T25 >> 1462730750.71924806 Potential matrix (472.68676s) started
T25 << 1462730753.10359406 Potential matrix (475.07111s) stopped
T25 >> 1462730753.10369492 DistributedAtomicCorrection (196.78344s) started
T25 << 1462730754.06721306 DistributedAtomicCorrection (197.74696s) stopped
T25 >> 1462730754.06726193 Distribute overlap matrix (1068.53150s) started
T25 >> 1462730754.06730390 blocked summation (1044.30345s) started
T25 << 1462730759.50424004 blocked summation (1049.74038s) stopped
T25 >> 1462730759.51424503 Scalapack redistribute (22.33560s) started
T25 << 1462730759.61980510 Scalapack redistribute (22.44116s) stopped
T25 << 1462730759.61985898 Distribute overlap matrix (1074.08410s) stopped
T25 >> 1462730759.62620091 Blacs Orbital Layouts (11275.82808s) started
T25 >> 1462730759.63461399 General diagonalize (11229.02501s) started
T25 << 1462730818.05923700 General diagonalize (11287.44963s) stopped
T25 >> 1462730818.05928612 Redistribute coefs (3.75102s) started
T25 << 1462730818.07697010 Redistribute coefs (3.76871s) stopped
T25 >> 1462730818.07701802 Send coefs to domains (41.28493s) started
T25 << 1462730818.16471195 Send coefs to domains (41.37262s) stopped
T25 << 1462730818.16534495 Blacs Orbital Layouts (11334.36723s) stopped
T25 >> 1462730818.16537309 Calculate projections (980.21416s) started
T25 << 1462730823.02469993 Calculate projections (985.07348s) stopped
T25 << 1462730823.02510810 LCAO eigensolver (14067.50554s) stopped
T25 >> 1462730824.16070509 Density (3120.88461s) started
T25 >> 1462730824.16072011 Pseudo density (2547.95065s) started
T25 >> 1462730824.16353989 Calculate density matrix (2244.22054s) started
T25 << 1462730837.10134101 Calculate density matrix (2257.15834s) stopped
T25 >> 1462730837.10140204 Construct density (295.66230s) started
T25 << 1462730838.74195790 Construct density (297.30286s) stopped
T25 >> 1462730838.76114798 Symmetrize density (0.01428s) started
T25 << 1462730838.76120400 Symmetrize density (0.01434s) stopped
T25 << 1462730838.76360393 Pseudo density (2562.55353s) stopped
T25 >> 1462730838.76366210 Atomic density matrices (476.22991s) started
T25 << 1462730841.46155405 Atomic density matrices (478.92781s) stopped
T25 >> 1462730841.46160007 Multipole moments (1.65982s) started
T25 << 1462730841.46981812 Multipole moments (1.66804s) stopped
T25 >> 1462730841.46987700 Normalize (1.52889s) started
T25 << 1462730841.48182988 Normalize (1.54085s) stopped
T25 >> 1462730841.48187995 Mix (93.49534s) started
T25 << 1462730842.00571990 Mix (94.01918s) stopped
T25 << 1462730842.00580502 Density (3138.72971s) stopped
T25 >> 1462730842.00595307 Hamiltonian (13011.83835s) started
T25 >> 1462730842.00597191 vbar (5.14332s) started
T25 << 1462730842.03397107 vbar (5.17132s) stopped
T25 >> 1462730842.03411293 XC 3D grid (9232.15995s) started
T25 >> 1462730842.53231907 van der Waals (9051.93708s) started
T25 >> 1462730842.66554499 semilocal (3703.00617s) started
T25 << 1462731113.30948997 semilocal (3973.65011s) stopped
T25 >> 1462731113.37062311 redistribute (1853.56221s) started
T25 << 1462731114.44297791 redistribute (1854.63456s) stopped
T25 >> 1462731114.44302106 libvdwxc nonlocal (3457.26137s) started
T25 << 1462731133.61044407 libvdwxc nonlocal (3476.42879s) stopped
T25 >> 1462731133.61051106 redistribute (1854.63459s) started
T25 << 1462731135.26341200 redistribute (1856.28749s) stopped
T25 << 1462731135.26485896 van der Waals (9344.66962s) stopped
T25 << 1462731135.75581408 XC 3D grid (9525.88165s) stopped
T25 >> 1462731135.75585604 Poisson (1642.28047s) started
T25 << 1462731140.13288999 Poisson (1646.65751s) stopped
T25 >> 1462731140.13295197 Hartree integrate/restrict (70.27565s) started
T25 << 1462731140.18908310 Hartree integrate/restrict (70.33178s) stopped
T25 >> 1462731140.18916702 Hartree integrate/restrict (70.33184s) started
T25 << 1462731140.51569390 Hartree integrate/restrict (70.65836s) stopped
T25 >> 1462731140.57355809 Atomic (1720.13132s) started
T25 >> 1462731140.59084797 XC Correction (1343.52854s) started
T25 << 1462731149.71302605 XC Correction (1352.65072s) stopped
T25 << 1462731151.77127504 Atomic (1731.32904s) stopped
T25 >> 1462731151.77157211 Communicate (331.59653s) started
T25 << 1462731153.52583694 Communicate (333.35080s) stopped
T25 << 1462731153.52586293 Hamiltonian (13323.35826s) stopped
T25 >> 1462731153.52597690 LCAO eigensolver (14067.50556s) started
T25 >> 1462731153.52599192 Potential matrix (475.07116s) started
T25 << 1462731155.91868901 Potential matrix (477.46386s) stopped
T25 >> 1462731155.91877699 DistributedAtomicCorrection (197.74700s) started
T25 << 1462731156.90101194 DistributedAtomicCorrection (198.72923s) stopped
T25 >> 1462731156.90105391 Distribute overlap matrix (1074.08411s) started
T25 >> 1462731156.90110612 blocked summation (1049.74041s) started
T25 << 1462731162.24929500 blocked summation (1055.08860s) stopped
T25 >> 1462731162.25863504 Scalapack redistribute (22.44120s) started
T25 << 1462731162.38053894 Scalapack redistribute (22.56310s) stopped
T25 << 1462731162.38063407 Distribute overlap matrix (1079.56369s) stopped
T25 >> 1462731162.38574004 Blacs Orbital Layouts (11334.36725s) started
T25 >> 1462731162.39414811 General diagonalize (11287.44967s) started
T25 << 1462731220.53189111 General diagonalize (11345.58742s) stopped
T25 >> 1462731220.53193808 Redistribute coefs (3.76875s) started
T25 << 1462731220.54858208 Redistribute coefs (3.78539s) stopped
T25 >> 1462731220.54862499 Send coefs to domains (41.37266s) started
T25 << 1462731220.63901711 Send coefs to domains (41.46305s) stopped
T25 << 1462731220.63972592 Blacs Orbital Layouts (11392.62123s) stopped
T25 >> 1462731220.63975406 Calculate projections (985.07353s) started
T25 << 1462731225.53198910 Calculate projections (989.96577s) stopped
T25 << 1462731225.53241396 LCAO eigensolver (14139.51200s) stopped
T25 >> 1462731226.64361095 Density (3138.72972s) started
T25 >> 1462731226.64362693 Pseudo density (2562.55358s) started
T25 >> 1462731226.64480901 Calculate density matrix (2257.15838s) started
T25 << 1462731239.60582304 Calculate density matrix (2270.11940s) stopped
T25 >> 1462731239.60587907 Construct density (297.30290s) started
T25 << 1462731241.23055100 Construct density (298.92758s) stopped
T25 >> 1462731241.47053194 Symmetrize density (0.01435s) started
T25 << 1462731241.47059703 Symmetrize density (0.01442s) stopped
T25 << 1462731241.47264290 Pseudo density (2577.38260s) stopped
T25 >> 1462731241.47270393 Atomic density matrices (478.92783s) started
T25 << 1462731243.95579505 Atomic density matrices (481.41092s) stopped
T25 >> 1462731243.95584297 Multipole moments (1.66805s) started
T25 << 1462731243.96452999 Multipole moments (1.67674s) stopped
T25 >> 1462731243.96458793 Normalize (1.54088s) started
T25 << 1462731243.97205901 Normalize (1.54835s) stopped
T25 >> 1462731243.97213006 Mix (94.01926s) started
T25 << 1462731244.50105596 Mix (94.54818s) stopped
T25 << 1462731244.50114107 Density (3156.58725s) stopped
T25 >> 1462731244.50125599 Hamiltonian (13323.35828s) started
T25 >> 1462731244.50127506 vbar (5.17140s) started
T25 << 1462731244.52238989 vbar (5.19252s) stopped
T25 >> 1462731244.52249599 XC 3D grid (9525.88169s) started
T25 >> 1462731245.07178497 van der Waals (9344.66969s) started
T25 >> 1462731245.20118809 semilocal (3973.65019s) started
T25 << 1462731251.89833903 semilocal (3980.34734s) stopped
T25 >> 1462731252.00788093 redistribute (1856.28759s) started
T25 << 1462731307.23114896 redistribute (1911.51085s) stopped
T25 >> 1462731307.23118997 libvdwxc nonlocal (3476.42884s) started
T25 << 1462731325.83453298 libvdwxc nonlocal (3495.03219s) stopped
T25 >> 1462731325.83459997 redistribute (1911.51088s) started
T25 << 1462731327.70787096 redistribute (1913.38416s) stopped
T25 << 1462731327.71022010 van der Waals (9427.30812s) stopped
T25 << 1462731328.20239091 XC 3D grid (9609.56158s) stopped
T25 >> 1462731328.20244789 Poisson (1646.65755s) started
T25 << 1462731332.51749897 Poisson (1650.97261s) stopped
T25 >> 1462731332.51760697 Hartree integrate/restrict (70.65841s) started
T25 << 1462731332.56071806 Hartree integrate/restrict (70.70152s) stopped
T25 >> 1462731332.56084108 Hartree integrate/restrict (70.70161s) started
T25 << 1462731332.90148711 Hartree integrate/restrict (71.04226s) stopped
T25 >> 1462731332.96238303 Atomic (1731.32907s) started
T25 >> 1462731332.97975302 XC Correction (1352.65074s) started
T25 << 1462731342.12654495 XC Correction (1361.79753s) stopped
T25 << 1462731344.12725806 Atomic (1742.49394s) stopped
T25 >> 1462731344.12748694 Communicate (333.35081s) started
T25 << 1462731346.00887203 Communicate (335.23220s) stopped
T25 << 1462731346.00889707 Hamiltonian (13424.86592s) stopped
T25 >> 1462731346.00899410 LCAO eigensolver (14139.51201s) started
T25 >> 1462731346.00901294 Potential matrix (477.46391s) started
T25 << 1462731348.39071488 Potential matrix (479.84561s) stopped
T25 >> 1462731348.39081311 DistributedAtomicCorrection (198.72927s) started
T25 << 1462731349.36366105 DistributedAtomicCorrection (199.70212s) stopped
T25 >> 1462731349.36371112 Distribute overlap matrix (1079.56370s) started
T25 >> 1462731349.36375499 blocked summation (1055.08864s) started
T25 << 1462731354.71385598 blocked summation (1060.43874s) stopped
T25 >> 1462731354.72288799 Scalapack redistribute (22.56317s) started
T25 << 1462731354.84616995 Scalapack redistribute (22.68645s) stopped
T25 << 1462731354.84624505 Distribute overlap matrix (1085.04623s) stopped
T25 >> 1462731354.85059690 Blacs Orbital Layouts (11392.62125s) started
T25 >> 1462731354.85925698 General diagonalize (11345.58746s) started
T25 << 1462731409.81627798 General diagonalize (11400.54448s) stopped
T25 >> 1462731409.81634688 Redistribute coefs (3.78542s) started
T25 << 1462731409.84051394 Redistribute coefs (3.80959s) stopped
T25 >> 1462731409.84055400 Send coefs to domains (41.46309s) started
T25 << 1462731410.06103110 Send coefs to domains (41.68356s) stopped
T25 << 1462731410.06151199 Blacs Orbital Layouts (11447.83217s) stopped
T25 >> 1462731410.06154203 Calculate projections (989.96583s) started
T25 << 1462731414.95989394 Calculate projections (994.86418s) stopped
T25 << 1462731414.96023703 LCAO eigensolver (14208.46326s) stopped
T25 << 1462731416.09627008 SCF-cycle (31051.88330s) stopped
T25 >> 1462731419.03003001 Force calculation (1556.44597s) started
T25 >> 1462731419.03011298 LCAO forces (1398.01821s) started
T25 >> 1462731419.03049207 Initial (0.00041s) started
T25 << 1462731419.03050303 Initial (0.00042s) stopped
T25 >> 1462731419.03677893 Get density matrix (652.47110s) started
T25 << 1462731428.35112810 Get density matrix (661.78545s) stopped
T25 >> 1462731428.35117102 Potential (222.92729s) started
T25 << 1462731440.78366089 Potential (235.35978s) stopped
T25 >> 1462731440.78372002 Get density matrix (661.78548s) started
T25 << 1462731468.76112604 Get density matrix (689.76289s) stopped
T25 >> 1462731468.76118898 Prepare TCI loop (43.69361s) started
T25 >> 1462731468.76175189 Get neighbors (39.54267s) started
T25 << 1462731471.07114911 Get neighbors (41.85206s) stopped
T25 >> 1462731471.07213712 broadcast dH (4.13045s) started
T25 << 1462731471.19771004 broadcast dH (4.25602s) stopped
T25 << 1462731471.19775891 Prepare TCI loop (46.13018s) stopped
T25 >> 1462731471.19777799 Not so complicated loop (187.30801s) started
T25 << 1462731481.73532104 Not so complicated loop (197.84555s) stopped
T25 >> 1462731481.85257912 Complicated loop (289.32893s) started
T25 << 1462731498.13813901 Complicated loop (305.61449s) stopped
T25 >> 1462731498.14172292 Wait for sum (0.00184s) started
T25 << 1462731498.14180708 Wait for sum (0.00192s) stopped
T25 << 1462731498.14182091 LCAO forces (1477.12992s) stopped
T25 << 1462731507.21428394 Force calculation (1644.63022s) stopped
T25 >> 1462731507.23453808 Initialization (2317.10150s) started
T25 << 1462731507.23479295 Initialization (2317.10175s) stopped
T25 >> 1462731507.23509312 Initialization (2317.10177s) started
T25 << 1462731507.23525310 Initialization (2317.10193s) stopped
T25 >> 1462731507.23540592 Initialization (2317.10195s) started
T25 << 1462731507.23555899 Initialization (2317.10210s) stopped
T25 >> 1462731530.54398394 Initialization (2317.10212s) started
T25 >> 1462731530.78104806 Basic WFS set positions (2.36452s) started
T25 >> 1462731530.78107309 Redistribute (0.26995s) started
T25 << 1462731530.78121090 Redistribute (0.27009s) stopped
T25 << 1462731530.92153502 Basic WFS set positions (2.50500s) stopped
T25 >> 1462731530.92157102 Basis functions set positions (36.88923s) started
T25 << 1462731533.03577805 Basis functions set positions (39.00344s) stopped
T25 >> 1462731533.03983808 TCI: Calculate S, T, P (457.16462s) started
T25 << 1462731559.09634399 TCI: Calculate S, T, P (483.22113s) stopped
T25 >> 1462731559.09646201 blocked summation (395.81765s) started
T25 << 1462731586.12731910 blocked summation (422.84851s) stopped
T25 >> 1462731586.13931990 Scalapack redistribute (5.12192s) started
T25 << 1462731586.27234697 Scalapack redistribute (5.25495s) stopped
T25 >> 1462731586.27332401 blocked summation (422.84854s) started
T25 << 1462731587.62413812 blocked summation (424.19936s) stopped
T25 >> 1462731587.63297892 Scalapack redistribute (5.25501s) started
T25 << 1462731587.76471901 Scalapack redistribute (5.38675s) stopped
T25 >> 1462731587.76758599 Redistribute (0.76733s) started
T25 << 1462731587.76885796 Redistribute (0.76860s) stopped
T25 >> 1462731589.58726406 Redistribute (0.76862s) started
T25 << 1462731589.58856010 Redistribute (0.76992s) stopped
T25 >> 1462731589.62219310 LCAO WFS Initialize (1370.47024s) started
T25 >> 1462731589.62221909 Density initialize from wavefunctions (266.49386s) started
T25 >> 1462731589.62561393 Calculate density matrix (181.92213s) started
T25 << 1462731599.63802600 Calculate density matrix (191.93454s) stopped
T25 >> 1462731599.63808298 Construct density (29.37233s) started
T25 << 1462731601.28431702 Construct density (31.01856s) stopped
T25 >> 1462731601.30718303 Symmetrize density (0.00140s) started
T25 << 1462731601.30724597 Symmetrize density (0.00147s) stopped
T25 << 1462731604.32455492 Density initialize from wavefunctions (281.19620s) stopped
T25 >> 1462731604.32539296 Hamiltonian (1102.94762s) started
T25 >> 1462731604.32543802 vbar (0.47177s) started
T25 << 1462731604.35530710 vbar (0.50164s) stopped
T25 >> 1462731604.35541892 XC 3D grid (565.12315s) started
T25 >> 1462731604.84920692 van der Waals (546.28602s) started
T25 >> 1462731604.98626709 semilocal (123.43653s) started
T25 << 1462731611.94616199 semilocal (130.39642s) stopped
T25 >> 1462731612.01246905 redistribute (56.76276s) started
T25 << 1462731612.92055607 redistribute (57.67085s) stopped
T25 >> 1462731612.92064309 libvdwxc nonlocal (362.23687s) started
T25 << 1462731632.45941496 libvdwxc nonlocal (381.77564s) stopped
T25 >> 1462731632.45949006 redistribute (57.67088s) started
T25 << 1462731634.64151907 redistribute (59.85291s) stopped
T25 << 1462731634.64287806 van der Waals (576.07969s) stopped
T25 << 1462731635.12756991 XC 3D grid (595.89530s) stopped
T25 >> 1462731635.12761211 Poisson (297.93640s) started
T25 << 1462731646.89811611 Poisson (309.70691s) stopped
T25 >> 1462731646.89824295 Hartree integrate/restrict (7.38215s) started
T25 << 1462731646.92791700 Hartree integrate/restrict (7.41182s) stopped
T25 >> 1462731646.92806697 Hartree integrate/restrict (7.41193s) started
T25 << 1462731647.32090592 Hartree integrate/restrict (7.80477s) stopped
T25 >> 1462731647.37652397 Atomic (209.10674s) started
T25 >> 1462731647.39493704 XC Correction (157.75710s) started
T25 << 1462731657.36960292 XC Correction (167.73177s) stopped
T25 << 1462731660.30872107 Atomic (222.03893s) stopped
T25 >> 1462731660.30915189 Communicate (21.72833s) started
T25 << 1462731660.39138889 Communicate (21.81057s) stopped
T25 << 1462731660.39141393 Hamiltonian (1159.01364s) stopped
T25 << 1462731660.39147902 LCAO WFS Initialize (1441.23952s) stopped
T25 << 1462731660.40379691 Initialization (2446.96193s) stopped
T25 >> 1462731660.43314004 SCF-cycle (31051.88332s) started
T25 >> 1462731660.43319702 LCAO eigensolver (14208.46327s) started
T25 >> 1462731660.43321109 Potential matrix (479.84567s) started
T25 << 1462731662.81598401 Potential matrix (482.22844s) stopped
T25 >> 1462731662.81608701 DistributedAtomicCorrection (199.70216s) started
T25 << 1462731663.85686493 DistributedAtomicCorrection (200.74293s) stopped
T25 >> 1462731663.85691595 Distribute overlap matrix (1085.04625s) started
T25 >> 1462731663.85696292 blocked summation (1060.43877s) started
T25 << 1462731669.47828889 blocked summation (1066.06010s) stopped
T25 >> 1462731669.48855996 Scalapack redistribute (22.68650s) started
T25 << 1462731669.58229899 Scalapack redistribute (22.78024s) stopped
T25 << 1462731669.58240390 Distribute overlap matrix (1090.77174s) stopped
T25 >> 1462731669.58712196 Blacs Orbital Layouts (11447.83218s) started
T25 >> 1462731669.59504604 General diagonalize (11400.54453s) started
T25 << 1462731727.04857612 General diagonalize (11457.99806s) stopped
T25 >> 1462731727.04862690 Redistribute coefs (3.80962s) started
T25 << 1462731727.06556296 Redistribute coefs (3.82656s) stopped
T25 >> 1462731727.06560493 Send coefs to domains (41.68360s) started
T25 << 1462731727.29333901 Send coefs to domains (41.91134s) stopped
T25 << 1462731727.29382610 Blacs Orbital Layouts (11505.53889s) stopped
T25 >> 1462731727.29385400 Calculate projections (994.86424s) started
T25 << 1462731732.18129706 Calculate projections (999.75168s) stopped
T25 << 1462731732.18163610 LCAO eigensolver (14280.21171s) stopped
T25 >> 1462731733.28252411 Density (3156.58727s) started
T25 >> 1462731733.28253889 Pseudo density (2577.38265s) started
T25 >> 1462731733.28381395 Calculate density matrix (2270.11943s) started
T25 << 1462731746.17372608 Calculate density matrix (2283.00934s) stopped
T25 >> 1462731746.17378306 Construct density (298.92764s) started
T25 << 1462731747.81432700 Construct density (300.56818s) stopped
T25 >> 1462731747.82709789 Symmetrize density (0.01444s) started
T25 << 1462731747.82716203 Symmetrize density (0.01450s) stopped
T25 << 1462731747.82925391 Pseudo density (2591.92936s) stopped
T25 >> 1462731747.82931399 Atomic density matrices (481.41094s) started
T25 << 1462731750.50407004 Atomic density matrices (484.08570s) stopped
T25 >> 1462731750.50412011 Multipole moments (1.67676s) started
T25 << 1462731750.51477098 Multipole moments (1.68741s) stopped
T25 >> 1462731750.51483107 Normalize (1.54841s) started
T25 << 1462731750.52203012 Normalize (1.55561s) stopped
T25 >> 1462731750.52207994 Mix (94.54826s) started
T25 << 1462731751.00996089 Mix (95.03615s) stopped
T25 << 1462731751.01003790 Density (3174.31478s) stopped
T25 >> 1462731751.01015496 Hamiltonian (13424.86593s) started
T25 >> 1462731751.01017189 vbar (5.19258s) started
T25 << 1462731751.02958608 vbar (5.21199s) stopped
T25 >> 1462731751.02969909 XC 3D grid (9609.56163s) started
T25 >> 1462731751.50527596 van der Waals (9427.30823s) started
T25 >> 1462731751.63412404 semilocal (3980.34747s) started
T25 << 1462731758.22427297 semilocal (3986.93762s) stopped
T25 >> 1462731758.34120297 redistribute (1913.38427s) started
T25 << 1462731759.86243796 redistribute (1914.90550s) stopped
T25 >> 1462731759.86248112 libvdwxc nonlocal (3495.03224s) started
T25 << 1462731778.88193011 libvdwxc nonlocal (3514.05169s) stopped
T25 >> 1462731778.88201690 redistribute (1914.90554s) started
T25 << 1462731780.81802201 redistribute (1916.84154s) stopped
T25 << 1462731780.82007790 van der Waals (9456.62303s) stopped
T25 << 1462731781.30431104 XC 3D grid (9639.83624s) stopped
T25 >> 1462731781.30435395 Poisson (1650.97269s) started
T25 << 1462731788.68720508 Poisson (1658.35555s) stopped
T25 >> 1462731788.68732810 Hartree integrate/restrict (71.04233s) started
T25 << 1462731788.72602296 Hartree integrate/restrict (71.08102s) stopped
T25 >> 1462731788.72616100 Hartree integrate/restrict (71.08112s) started
T25 << 1462731789.07244706 Hartree integrate/restrict (71.42741s) stopped
T25 >> 1462731789.13112307 Atomic (1742.49396s) started
T25 >> 1462731789.14894795 XC Correction (1361.79755s) started
T25 << 1462731798.85466409 XC Correction (1371.50327s) stopped
T25 << 1462731801.76190996 Atomic (1755.12475s) stopped
T25 >> 1462731801.76219702 Communicate (335.23222s) started
T25 << 1462731801.94736290 Communicate (335.41738s) stopped
T25 << 1462731801.94738793 Hamiltonian (13475.80316s) stopped
T25 >> 1462731801.94748402 LCAO eigensolver (14280.21173s) started
T25 >> 1462731801.94749999 Potential matrix (482.22850s) started
T25 << 1462731804.33817005 Potential matrix (484.61917s) stopped
T25 >> 1462731804.33826995 DistributedAtomicCorrection (200.74298s) started
T25 << 1462731805.37036109 DistributedAtomicCorrection (201.77507s) stopped
T25 >> 1462731805.37040901 Distribute overlap matrix (1090.77175s) started
T25 >> 1462731805.37045503 blocked summation (1066.06013s) started
T25 << 1462731811.01039410 blocked summation (1071.70007s) stopped
T25 >> 1462731811.02073789 Scalapack redistribute (22.78031s) started
T25 << 1462731811.10686707 Scalapack redistribute (22.86643s) stopped
T25 << 1462731811.10696197 Distribute overlap matrix (1096.50830s) stopped
T25 >> 1462731811.11169600 Blacs Orbital Layouts (11505.53891s) started
T25 >> 1462731811.11992192 General diagonalize (11457.99810s) started
T25 << 1462731866.08423901 General diagonalize (11512.96242s) stopped
T25 >> 1462731866.08428597 Redistribute coefs (3.82659s) started
T25 << 1462731866.11231089 Redistribute coefs (3.85461s) stopped
T25 >> 1462731866.11235094 Send coefs to domains (41.91138s) started
T25 << 1462731866.35219908 Send coefs to domains (42.15122s) stopped
T25 << 1462731866.35283303 Blacs Orbital Layouts (11560.78004s) stopped
T25 >> 1462731866.35286188 Calculate projections (999.75174s) started
T25 << 1462731871.22114706 Calculate projections (1004.62003s) stopped
T25 << 1462731871.22153902 LCAO eigensolver (14349.48579s) stopped
T25 >> 1462731872.34288311 Density (3174.31480s) started
T25 >> 1462731872.34289789 Pseudo density (2591.92941s) started
T25 >> 1462731872.34473705 Calculate density matrix (2283.00938s) started
T25 << 1462731885.23700404 Calculate density matrix (2295.90165s) stopped
T25 >> 1462731885.23706388 Construct density (300.56823s) started
T25 << 1462731886.88128805 Construct density (302.21246s) stopped
T25 >> 1462731886.89535499 Symmetrize density (0.01452s) started
T25 << 1462731886.89542007 Symmetrize density (0.01458s) stopped
T25 << 1462731886.89775395 Pseudo density (2606.48426s) stopped
T25 >> 1462731886.89780903 Atomic density matrices (484.08573s) started
T25 << 1462731889.58929205 Atomic density matrices (486.77721s) stopped
T25 >> 1462731889.58934093 Multipole moments (1.68743s) started
T25 << 1462731889.60063100 Multipole moments (1.69872s) stopped
T25 >> 1462731889.60068989 Normalize (1.55564s) started
T25 << 1462731889.61072612 Normalize (1.56568s) stopped
T25 >> 1462731889.61080289 Mix (95.03622s) started
T25 << 1462731890.05682993 Mix (95.48225s) stopped
T25 << 1462731890.05692291 Density (3192.02884s) stopped
T25 >> 1462731890.05708003 Hamiltonian (13475.80318s) started
T25 >> 1462731890.05710101 vbar (5.21205s) started
T25 << 1462731890.08850598 vbar (5.24346s) stopped
T25 >> 1462731890.08863497 XC 3D grid (9639.83627s) started
T25 >> 1462731890.59211397 van der Waals (9456.62313s) started
T25 >> 1462731890.72239900 semilocal (3986.93782s) started
T25 << 1462731897.67593789 semilocal (3993.89136s) stopped
T25 >> 1462731897.77635598 redistribute (1916.84163s) started
T25 << 1462731898.80010009 redistribute (1917.86537s) stopped
T25 >> 1462731898.80014610 libvdwxc nonlocal (3514.05174s) started
T25 << 1462731918.10622311 libvdwxc nonlocal (3533.35782s) stopped
T25 >> 1462731918.10629106 redistribute (1917.86541s) started
T25 << 1462731920.16270208 redistribute (1919.92182s) stopped
T25 << 1462731920.16421008 van der Waals (9486.19522s) stopped
T25 << 1462731920.65696597 XC 3D grid (9670.40460s) stopped
T25 >> 1462731920.65701199 Poisson (1658.35564s) started
T25 << 1462731928.04270291 Poisson (1665.74133s) stopped
T25 >> 1462731928.04277706 Hartree integrate/restrict (71.42744s) started
T25 << 1462731928.07685089 Hartree integrate/restrict (71.46151s) stopped
T25 >> 1462731928.07697010 Hartree integrate/restrict (71.46160s) started
T25 << 1462731928.44085598 Hartree integrate/restrict (71.82548s) stopped
T25 >> 1462731928.49939895 Atomic (1755.12477s) started
T25 >> 1462731928.51646709 XC Correction (1371.50330s) started
T25 << 1462731937.62941194 XC Correction (1380.61624s) stopped
T25 << 1462731940.58540392 Atomic (1767.21077s) stopped
T25 >> 1462731940.58566999 Communicate (335.41740s) started
T25 << 1462731941.30730700 Communicate (336.13903s) stopped
T25 << 1462731941.30733299 Hamiltonian (13527.05343s) stopped
T25 >> 1462731941.30742908 LCAO eigensolver (14349.48581s) started
T25 >> 1462731941.30744505 Potential matrix (484.61923s) started
T25 << 1462731943.70098710 Potential matrix (487.01277s) stopped
T25 >> 1462731943.70109105 DistributedAtomicCorrection (201.77511s) started
T25 << 1462731944.69991899 DistributedAtomicCorrection (202.77394s) stopped
T25 >> 1462731944.69996905 Distribute overlap matrix (1096.50835s) started
T25 >> 1462731944.70001698 blocked summation (1071.70010s) started
T25 << 1462731950.31044006 blocked summation (1077.31052s) stopped
T25 >> 1462731950.31991792 Scalapack redistribute (22.86649s) started
T25 << 1462731950.43735290 Scalapack redistribute (22.98392s) stopped
T25 << 1462731950.43744898 Distribute overlap matrix (1102.24583s) stopped
T25 >> 1462731950.44216204 Blacs Orbital Layouts (11560.78006s) started
T25 >> 1462731950.45078802 General diagonalize (11512.96246s) started
T25 << 1462732007.02628398 General diagonalize (11569.53795s) stopped
T25 >> 1462732007.02633190 Redistribute coefs (3.85464s) started
T25 << 1462732007.04327011 Redistribute coefs (3.87158s) stopped
T25 >> 1462732007.04331303 Send coefs to domains (42.15127s) started
T25 << 1462732007.14450312 Send coefs to domains (42.25246s) stopped
T25 << 1462732007.14501691 Blacs Orbital Layouts (11617.48292s) stopped
T25 >> 1462732007.14504695 Calculate projections (1004.62007s) started
T25 << 1462732012.03854895 Calculate projections (1009.51358s) stopped
T25 << 1462732012.03872705 LCAO eigensolver (14420.21710s) stopped
T25 >> 1462732013.17670298 Density (3192.02885s) started
T25 >> 1462732013.17671704 Pseudo density (2606.48431s) started
T25 >> 1462732013.17822289 Calculate density matrix (2295.90169s) started
T25 << 1462732026.05487299 Calculate density matrix (2308.77834s) stopped
T25 >> 1462732026.05492997 Construct density (302.21251s) started
T25 << 1462732027.69797802 Construct density (303.85556s) stopped
T25 >> 1462732027.71168995 Symmetrize density (0.01460s) started
T25 << 1462732027.71175504 Symmetrize density (0.01467s) stopped
T25 << 1462732027.71383309 Pseudo density (2621.02143s) stopped
T25 >> 1462732027.71389294 Atomic density matrices (486.77723s) started
T25 << 1462732030.40383005 Atomic density matrices (489.46717s) stopped
T25 >> 1462732030.40387797 Multipole moments (1.69873s) started
T25 << 1462732030.41304708 Multipole moments (1.70790s) stopped
T25 >> 1462732030.41310596 Normalize (1.56573s) started
T25 << 1462732030.42071891 Normalize (1.57335s) stopped
T25 >> 1462732030.42076397 Mix (95.48234s) started
T25 << 1462732030.88367105 Mix (95.94525s) stopped
T25 << 1462732030.88377309 Density (3209.73592s) stopped
T25 >> 1462732030.88394094 Hamiltonian (13527.05344s) started
T25 >> 1462732030.88396096 vbar (5.24353s) started
T25 << 1462732030.91472507 vbar (5.27429s) stopped
T25 >> 1462732030.91484594 XC 3D grid (9670.40464s) started
T25 >> 1462732031.41960692 van der Waals (9486.19527s) started
T25 >> 1462732031.54929304 semilocal (3993.89147s) started
T25 << 1462732038.07348704 semilocal (4000.41567s) stopped
T25 >> 1462732038.16589189 redistribute (1919.92190s) started
T25 << 1462732039.52558804 redistribute (1921.28160s) stopped
T25 >> 1462732039.52563810 libvdwxc nonlocal (3533.35787s) started
T25 << 1462732059.04648089 libvdwxc nonlocal (3552.87871s) stopped
T25 >> 1462732059.04654694 redistribute (1921.28163s) started
T25 << 1462732061.23305607 redistribute (1923.46814s) stopped
T25 << 1462732061.23463297 van der Waals (9516.01030s) stopped
T25 << 1462732061.72391510 XC 3D grid (9701.21371s) stopped
T25 >> 1462732061.72397709 Poisson (1665.74139s) started
T25 << 1462732067.58214808 Poisson (1671.59956s) stopped
T25 >> 1462732067.58226895 Hartree integrate/restrict (71.82553s) started
T25 << 1462732067.62104201 Hartree integrate/restrict (71.86430s) stopped
T25 >> 1462732067.62113500 Hartree integrate/restrict (71.86436s) started
T25 << 1462732067.98818994 Hartree integrate/restrict (72.23141s) stopped
T25 >> 1462732068.04591799 Atomic (1767.21079s) started
T25 >> 1462732068.06294489 XC Correction (1380.61627s) started
T25 << 1462732077.03351402 XC Correction (1389.58684s) stopped
T25 << 1462732079.49113297 Atomic (1778.65601s) stopped
T25 >> 1462732079.49144292 Communicate (336.13905s) started
T25 << 1462732080.86794710 Communicate (337.51555s) stopped
T25 << 1462732080.86797309 Hamiltonian (13577.03747s) stopped
T25 >> 1462732080.86808300 LCAO eigensolver (14420.21712s) started
T25 >> 1462732080.86809897 Potential matrix (487.01283s) started
T25 << 1462732083.26461792 Potential matrix (489.40935s) stopped
T25 >> 1462732083.26471710 DistributedAtomicCorrection (202.77398s) started
T25 << 1462732084.24924493 DistributedAtomicCorrection (203.75851s) stopped
T25 >> 1462732084.24929404 Distribute overlap matrix (1102.24585s) started
T25 >> 1462732084.24933910 blocked summation (1077.31056s) started
T25 << 1462732089.91226912 blocked summation (1082.97349s) stopped
T25 >> 1462732089.92147112 Scalapack redistribute (22.98398s) started
T25 << 1462732090.05987096 Scalapack redistribute (23.12238s) stopped
T25 << 1462732090.05999589 Distribute overlap matrix (1108.05655s) stopped
T25 >> 1462732090.06710505 Blacs Orbital Layouts (11617.48294s) started
T25 >> 1462732090.07621503 General diagonalize (11569.53799s) started
T25 << 1462732147.79638505 General diagonalize (11627.25816s) stopped
T25 >> 1462732147.79643297 Redistribute coefs (3.87161s) started
T25 << 1462732147.81397295 Redistribute coefs (3.88915s) stopped
T25 >> 1462732147.81401706 Send coefs to domains (42.25249s) started
T25 << 1462732147.92604995 Send coefs to domains (42.36452s) stopped
T25 << 1462732147.92682600 Blacs Orbital Layouts (11675.34266s) stopped
T25 >> 1462732147.92685604 Calculate projections (1009.51363s) started
T25 << 1462732152.78142190 Calculate projections (1014.36820s) stopped
T25 << 1462732152.78162909 LCAO eigensolver (14492.13067s) stopped
T25 >> 1462732154.19523311 Density (3209.73594s) started
T25 >> 1462732154.19524789 Pseudo density (2621.02147s) started
T25 >> 1462732154.19692898 Calculate density matrix (2308.77837s) started
T25 << 1462732167.01830506 Calculate density matrix (2321.59975s) stopped
T25 >> 1462732167.01835990 Construct density (303.85562s) started
T25 << 1462732168.67061996 Construct density (305.50788s) stopped
T25 >> 1462732168.70687389 Symmetrize density (0.01469s) started
T25 << 1462732168.70693111 Symmetrize density (0.01474s) stopped
T25 << 1462732168.70929193 Pseudo density (2635.53552s) stopped
T25 >> 1462732168.70934701 Atomic density matrices (489.46720s) started
T25 << 1462732171.33205891 Atomic density matrices (492.08991s) stopped
T25 >> 1462732171.33210802 Multipole moments (1.70792s) started
T25 << 1462732171.34161806 Multipole moments (1.71743s) stopped
T25 >> 1462732171.34167600 Normalize (1.57338s) started
T25 << 1462732171.35138011 Normalize (1.58308s) stopped
T25 >> 1462732171.35144091 Mix (95.94534s) started
T25 << 1462732171.95161390 Mix (96.54552s) stopped
T25 << 1462732171.95167708 Density (3227.49238s) stopped
T25 >> 1462732171.95177698 Hamiltonian (13577.03748s) started
T25 >> 1462732171.95179200 vbar (5.27436s) started
T25 << 1462732171.97196198 vbar (5.29453s) stopped
T25 >> 1462732171.97206306 XC 3D grid (9701.21376s) started
T25 >> 1462732172.45589590 van der Waals (9516.01039s) started
T25 >> 1462732172.59004807 semilocal (4000.41574s) started
T25 << 1462732365.34101200 semilocal (4193.16671s) stopped
T25 >> 1462732365.40594697 redistribute (1923.46824s) started
T25 << 1462732366.61832404 redistribute (1924.68062s) stopped
T25 >> 1462732366.61837006 libvdwxc nonlocal (3552.87877s) started
T25 << 1462732385.55607009 libvdwxc nonlocal (3571.81647s) stopped
T25 >> 1462732385.55613804 redistribute (1924.68066s) started
T25 << 1462732387.22741199 redistribute (1926.35193s) stopped
T25 << 1462732387.22981811 van der Waals (9730.78432s) stopped
T25 << 1462732387.72172594 XC 3D grid (9916.96342s) stopped
T25 >> 1462732387.72176909 Poisson (1671.59966s) started
T25 << 1462732393.50046492 Poisson (1677.37835s) stopped
T25 >> 1462732393.50056791 Hartree integrate/restrict (72.23145s) started
T25 << 1462732393.54981899 Hartree integrate/restrict (72.28070s) stopped
T25 >> 1462732393.54989004 Hartree integrate/restrict (72.28075s) started
T25 << 1462732393.89551306 Hartree integrate/restrict (72.62637s) stopped
T25 >> 1462732393.95552897 Atomic (1778.65603s) started
T25 >> 1462732393.97250509 XC Correction (1389.58686s) started
T25 << 1462732402.99967098 XC Correction (1398.61403s) stopped
T25 << 1462732405.28849697 Atomic (1789.98900s) stopped
T25 >> 1462732405.28877091 Communicate (337.51557s) started
T25 << 1462732406.76772404 Communicate (338.99452s) stopped
T25 << 1462732406.76774907 Hamiltonian (13811.85346s) stopped
T25 >> 1462732406.76784706 LCAO eigensolver (14492.13069s) started
T25 >> 1462732406.76786208 Potential matrix (489.40940s) started
T25 << 1462732409.15397310 Potential matrix (491.79552s) stopped
T25 >> 1462732409.15406203 DistributedAtomicCorrection (203.75855s) started
T25 << 1462732410.17175603 DistributedAtomicCorrection (204.77624s) stopped
T25 >> 1462732410.17179894 Distribute overlap matrix (1108.05657s) started
T25 >> 1462732410.17184305 blocked summation (1082.97352s) started
T25 << 1462732415.77849889 blocked summation (1088.58017s) stopped
T25 >> 1462732415.78772211 Scalapack redistribute (23.12247s) started
T25 << 1462732415.87305903 Scalapack redistribute (23.20781s) stopped
T25 << 1462732415.87315297 Distribute overlap matrix (1113.75792s) stopped
T25 >> 1462732415.87847805 Blacs Orbital Layouts (11675.34268s) started
T25 >> 1462732415.88626003 General diagonalize (11627.25820s) started
T25 << 1462732472.66853905 General diagonalize (11684.04048s) stopped
T25 >> 1462732472.66858792 Redistribute coefs (3.88919s) started
T25 << 1462732472.68575406 Redistribute coefs (3.90636s) stopped
T25 >> 1462732472.68579888 Send coefs to domains (42.36456s) started
T25 << 1462732472.78323388 Send coefs to domains (42.46200s) stopped
T25 << 1462732472.78400207 Blacs Orbital Layouts (11732.24820s) stopped
T25 >> 1462732472.78403211 Calculate projections (1014.36825s) started
T25 << 1462732477.66916490 Calculate projections (1019.25339s) stopped
T25 << 1462732477.66958904 LCAO eigensolver (14563.03243s) stopped
T25 >> 1462732478.78739595 Density (3227.49240s) started
T25 >> 1462732478.78741097 Pseudo density (2635.53556s) started
T25 >> 1462732478.78887510 Calculate density matrix (2321.59979s) started
T25 << 1462732492.68762589 Calculate density matrix (2335.49854s) stopped
T25 >> 1462732492.68768001 Construct density (305.50793s) started
T25 << 1462732494.32792091 Construct density (307.14817s) stopped
T25 >> 1462732494.37217093 Symmetrize density (0.01476s) started
T25 << 1462732494.37223411 Symmetrize density (0.01482s) stopped
T25 << 1462732494.37429810 Pseudo density (2651.12245s) stopped
T25 >> 1462732494.37435794 Atomic density matrices (492.08993s) started
T25 << 1462732497.04389405 Atomic density matrices (494.75947s) stopped
T25 >> 1462732497.04394293 Multipole moments (1.71745s) started
T25 << 1462732497.05267906 Multipole moments (1.72618s) stopped
T25 >> 1462732497.05274010 Normalize (1.58313s) started
T25 << 1462732497.06031704 Normalize (1.59070s) stopped
T25 >> 1462732497.06037307 Mix (96.54558s) started
T25 << 1462732497.65138197 Mix (97.13659s) stopped
T25 << 1462732497.65144205 Density (3246.35645s) stopped
T25 >> 1462732497.65154195 Hamiltonian (13811.85347s) started
T25 >> 1462732497.65155792 vbar (5.29458s) started
T25 << 1462732497.67011809 vbar (5.31314s) stopped
T25 >> 1462732497.67022109 XC 3D grid (9916.96345s) started
T25 >> 1462732498.15075493 van der Waals (9730.78441s) started
T25 >> 1462732498.28309989 semilocal (4193.16679s) started
T25 << 1462733012.99551606 semilocal (4707.87921s) stopped
T25 >> 1462733013.05640888 redistribute (1926.35205s) started
T25 << 1462733014.03164601 redistribute (1927.32729s) stopped
T25 >> 1462733014.03168988 libvdwxc nonlocal (3571.81652s) started
T25 << 1462733033.53027010 libvdwxc nonlocal (3591.31510s) stopped
T25 >> 1462733033.53033805 redistribute (1927.32732s) started
T25 << 1462733035.28717208 redistribute (1929.08415s) stopped
T25 << 1462733035.28977799 van der Waals (10267.92343s) stopped
T25 << 1462733035.76959896 XC 3D grid (10455.06283s) stopped
T25 >> 1462733035.76964307 Poisson (1677.37843s) started
T25 << 1462733041.53609300 Poisson (1683.14488s) stopped
T25 >> 1462733041.53619003 Hartree integrate/restrict (72.62644s) started
T25 << 1462733041.59438396 Hartree integrate/restrict (72.68463s) stopped
T25 >> 1462733041.59444499 Hartree integrate/restrict (72.68467s) started
T25 << 1462733041.91493297 Hartree integrate/restrict (73.00516s) stopped
T25 >> 1462733041.98879790 Atomic (1789.98902s) started
T25 >> 1462733042.00583005 XC Correction (1398.61405s) started
T25 << 1462733051.03224492 XC Correction (1407.64047s) stopped
T25 << 1462733053.35378289 Atomic (1801.35401s) stopped
T25 >> 1462733053.35404801 Communicate (338.99454s) started
T25 << 1462733054.27285290 Communicate (339.91335s) stopped
T25 << 1462733054.27287793 Hamiltonian (14368.47480s) stopped
T25 >> 1462733054.27298093 LCAO eigensolver (14563.03245s) started
T25 >> 1462733054.27299595 Potential matrix (491.79556s) started
T25 << 1462733056.66781306 Potential matrix (494.19038s) stopped
T25 >> 1462733056.66790295 DistributedAtomicCorrection (204.77628s) started
T25 << 1462733057.65542006 DistributedAtomicCorrection (205.76379s) stopped
T25 >> 1462733057.65546393 Distribute overlap matrix (1113.75794s) started
T25 >> 1462733057.65550709 blocked summation (1088.58021s) started
T25 << 1462733063.25311399 blocked summation (1094.17781s) stopped
T25 >> 1462733063.26263809 Scalapack redistribute (23.20786s) started
T25 << 1462733063.36365294 Scalapack redistribute (23.30888s) stopped
T25 << 1462733063.36372089 Distribute overlap matrix (1119.46619s) stopped
T25 >> 1462733063.36834502 Blacs Orbital Layouts (11732.24822s) started
T25 >> 1462733063.37666202 General diagonalize (11684.04052s) started
T25 << 1462733119.14500499 General diagonalize (11739.80886s) stopped
T25 >> 1462733119.14505696 Redistribute coefs (3.90639s) started
T25 << 1462733119.17286706 Redistribute coefs (3.93420s) stopped
T25 >> 1462733119.17290902 Send coefs to domains (42.46203s) started
T25 << 1462733119.41063094 Send coefs to domains (42.69975s) stopped
T25 << 1462733119.41143203 Blacs Orbital Layouts (11788.29131s) stopped
T25 >> 1462733119.41146111 Calculate projections (1019.25344s) started
T25 << 1462733124.26750207 Calculate projections (1024.10948s) stopped
T25 << 1462733124.26785398 LCAO eigensolver (14633.02732s) stopped
T25 >> 1462733125.63576508 Density (3246.35646s) started
T25 >> 1462733125.63578010 Pseudo density (2651.12250s) started
T25 >> 1462733125.63743997 Calculate density matrix (2335.49857s) started
T25 << 1462733138.64332700 Calculate density matrix (2348.50446s) stopped
T25 >> 1462733138.64338589 Construct density (307.14823s) started
T25 << 1462733140.28967094 Construct density (308.79451s) stopped
T25 >> 1462733140.30476904 Symmetrize density (0.01484s) started
T25 << 1462733140.30483007 Symmetrize density (0.01490s) stopped
T25 << 1462733140.30719900 Pseudo density (2665.79392s) stopped
T25 >> 1462733140.30725503 Atomic density matrices (494.75949s) started
T25 << 1462733142.94555712 Atomic density matrices (497.39779s) stopped
T25 >> 1462733142.94560504 Multipole moments (1.72620s) started
T25 << 1462733142.95329595 Multipole moments (1.73389s) stopped
T25 >> 1462733142.95335507 Normalize (1.59074s) started
T25 << 1462733142.96388006 Normalize (1.60127s) stopped
T25 >> 1462733142.96393490 Mix (97.13664s) started
T25 << 1462733143.48351002 Mix (97.65622s) stopped
T25 << 1462733143.48358989 Density (3264.20428s) stopped
T25 >> 1462733143.48372602 Hamiltonian (14368.47482s) started
T25 >> 1462733143.48374391 vbar (5.31320s) started
T25 << 1462733143.51145101 vbar (5.34091s) stopped
T25 >> 1462733143.51154900 XC 3D grid (10455.06286s) started
T25 >> 1462733144.00905609 van der Waals (10267.92353s) started
T25 >> 1462733144.14409804 semilocal (4707.87930s) started
T25 << 1462733151.41427708 semilocal (4715.14948s) stopped
T25 >> 1462733151.47545290 redistribute (1929.08426s) started
T25 << 1462733152.45620108 redistribute (1930.06501s) stopped
T25 >> 1462733152.45624709 libvdwxc nonlocal (3591.31515s) started
T25 << 1462733171.71123290 libvdwxc nonlocal (3610.57013s) stopped
T25 >> 1462733171.71129704 redistribute (1930.06505s) started
T25 << 1462733173.37889910 redistribute (1931.73265s) stopped
T25 << 1462733173.38092399 van der Waals (10297.29540s) stopped
T25 << 1462733173.87639093 XC 3D grid (10485.42771s) stopped
T25 >> 1462733173.87644291 Poisson (1683.14496s) started
T25 << 1462733178.31374502 Poisson (1687.58226s) stopped
T25 >> 1462733178.31381798 Hartree integrate/restrict (73.00527s) started
T25 << 1462733178.36884999 Hartree integrate/restrict (73.06030s) stopped
T25 >> 1462733178.36891198 Hartree integrate/restrict (73.06034s) started
T25 << 1462733178.70174503 Hartree integrate/restrict (73.39317s) stopped
T25 >> 1462733178.76024294 Atomic (1801.35403s) started
T25 >> 1462733178.77726889 XC Correction (1407.64050s) started
T25 << 1462733187.86318302 XC Correction (1416.72641s) stopped
T25 << 1462733190.08635712 Atomic (1812.68014s) stopped
T25 >> 1462733190.08657694 Communicate (339.91336s) started
T25 << 1462733191.42171693 Communicate (341.24850s) stopped
T25 << 1462733191.42174101 Hamiltonian (14416.41283s) stopped
T25 >> 1462733191.42183590 LCAO eigensolver (14633.02734s) started
T25 >> 1462733191.42184997 Potential matrix (494.19043s) started
T25 << 1462733193.81394100 Potential matrix (496.58252s) stopped
T25 >> 1462733193.81403399 DistributedAtomicCorrection (205.76383s) started
T25 << 1462733194.79647493 DistributedAtomicCorrection (206.74627s) stopped
T25 >> 1462733194.79651904 Distribute overlap matrix (1119.46621s) started
T25 >> 1462733194.79656196 blocked summation (1094.17785s) started
T25 << 1462733200.42354989 blocked summation (1099.80484s) stopped
T25 >> 1462733200.43265605 Scalapack redistribute (23.30892s) started
T25 << 1462733200.52999401 Scalapack redistribute (23.40625s) stopped
T25 << 1462733200.53010392 Distribute overlap matrix (1125.19979s) stopped
T25 >> 1462733200.53540111 Blacs Orbital Layouts (11788.29133s) started
T25 >> 1462733200.54312396 General diagonalize (11739.80890s) started
T25 << 1462733256.18974900 General diagonalize (11795.45552s) stopped
T25 >> 1462733256.18979597 Redistribute coefs (3.93423s) started
T25 << 1462733256.20632696 Redistribute coefs (3.95076s) stopped
T25 >> 1462733256.20636892 Send coefs to domains (42.69979s) started
T25 << 1462733256.30036712 Send coefs to domains (42.79379s) stopped
T25 << 1462733256.30092406 Blacs Orbital Layouts (11844.05685s) stopped
T25 >> 1462733256.30095196 Calculate projections (1024.10953s) started
T25 << 1462733261.15468311 Calculate projections (1028.96327s) stopped
T25 << 1462733261.15504599 LCAO eigensolver (14702.76055s) stopped
T25 << 1462733262.32509208 SCF-cycle (32653.77527s) stopped
T25 >> 1462733265.27544403 Force calculation (1644.63025s) started
T25 >> 1462733265.27551889 LCAO forces (1477.12993s) started
T25 >> 1462733265.27588511 Initial (0.00044s) started
T25 << 1462733265.27589607 Initial (0.00045s) stopped
T25 >> 1462733265.28228498 Get density matrix (689.76292s) started
T25 << 1462733274.74313402 Get density matrix (699.22377s) stopped
T25 >> 1462733274.74317789 Potential (235.35983s) started
T25 << 1462733287.09347010 Potential (247.71012s) stopped
T25 >> 1462733287.09352112 Get density matrix (699.22380s) started
T25 << 1462733314.14514804 Get density matrix (726.27543s) stopped
T25 >> 1462733314.14520907 Prepare TCI loop (46.13019s) started
T25 >> 1462733314.14574599 Get neighbors (41.85211s) started
T25 << 1462733316.34742093 Get neighbors (44.05379s) stopped
T25 >> 1462733316.34837508 broadcast dH (4.25605s) started
T25 << 1462733316.50079608 broadcast dH (4.40847s) stopped
T25 << 1462733316.50084305 Prepare TCI loop (48.48583s) stopped
T25 >> 1462733316.50086188 Not so complicated loop (197.84559s) started
T25 << 1462733326.94368911 Not so complicated loop (208.28842s) stopped
T25 >> 1462733327.05840611 Complicated loop (305.61452s) started
T25 << 1462733343.35699201 Complicated loop (321.91311s) stopped
T25 >> 1462733343.36079001 Wait for sum (0.00194s) started
T25 << 1462733343.36088395 Wait for sum (0.00203s) stopped
T25 << 1462733343.36089802 LCAO forces (1555.21531s) stopped
T25 << 1462733352.68287301 Force calculation (1732.03768s) stopped
T25 >> 1462733352.70323896 Initialization (2446.96195s) started
T25 << 1462733352.70346498 Initialization (2446.96218s) stopped
T25 >> 1462733352.70373702 Initialization (2446.96220s) started
T25 << 1462733352.70394707 Initialization (2446.96241s) stopped
T25 >> 1462733352.70411491 Initialization (2446.96242s) started
T25 << 1462733352.70427108 Initialization (2446.96258s) stopped
T25 >> 1462733376.09179902 Initialization (2446.96260s) started
T25 >> 1462733376.27762389 Basic WFS set positions (2.50503s) started
T25 >> 1462733376.27764702 Redistribute (0.27010s) started
T25 << 1462733376.28183508 Redistribute (0.27429s) stopped
T25 << 1462733376.42234492 Basic WFS set positions (2.64975s) stopped
T25 >> 1462733376.42237091 Basis functions set positions (39.00347s) started
T25 << 1462733378.51174593 Basis functions set positions (41.09284s) stopped
T25 >> 1462733378.51572299 TCI: Calculate S, T, P (483.22117s) started
T25 << 1462733404.21379995 TCI: Calculate S, T, P (508.91924s) stopped
T25 >> 1462733404.21390510 blocked summation (424.19939s) started
T25 << 1462733432.42831993 blocked summation (452.41381s) stopped
T25 >> 1462733432.44072199 Scalapack redistribute (5.38680s) started
T25 << 1462733432.56856108 Scalapack redistribute (5.51464s) stopped
T25 >> 1462733432.56952810 blocked summation (452.41385s) started
T25 << 1462733433.91691804 blocked summation (453.76124s) stopped
T25 >> 1462733433.92708993 Scalapack redistribute (5.51470s) started
T25 << 1462733434.03408504 Scalapack redistribute (5.62170s) stopped
T25 >> 1462733434.03650403 Redistribute (0.76998s) started
T25 << 1462733434.03770804 Redistribute (0.77118s) stopped
T25 >> 1462733436.04159594 Redistribute (0.77120s) started
T25 << 1462733436.04304099 Redistribute (0.77265s) stopped
T25 >> 1462733436.06801510 LCAO WFS Initialize (1441.23954s) started
T25 >> 1462733436.06805801 Density initialize from wavefunctions (281.19628s) started
T25 >> 1462733436.07164001 Calculate density matrix (191.93458s) started
T25 << 1462733446.16609311 Calculate density matrix (202.02903s) stopped
T25 >> 1462733446.16614795 Construct density (31.01862s) started
T25 << 1462733447.83885598 Construct density (32.69133s) stopped
T25 >> 1462733447.85305309 Symmetrize density (0.00148s) started
T25 << 1462733447.85311508 Symmetrize density (0.00155s) stopped
T25 << 1462733450.91819906 Density initialize from wavefunctions (296.04643s) stopped
T25 >> 1462733450.91887403 Hamiltonian (1159.01366s) started
T25 >> 1462733450.91889811 vbar (0.50170s) started
T25 << 1462733450.94133306 vbar (0.52413s) stopped
T25 >> 1462733450.94141293 XC 3D grid (595.89534s) started
T25 >> 1462733451.42122698 van der Waals (576.07976s) started
T25 >> 1462733451.55752993 semilocal (130.39650s) started
T25 << 1462733458.15920496 semilocal (136.99817s) stopped
T25 >> 1462733458.22288299 redistribute (59.85300s) started
T25 << 1462733459.73844504 redistribute (61.36856s) stopped
T25 >> 1462733459.73853302 libvdwxc nonlocal (381.77570s) started
T25 << 1462733479.78524208 libvdwxc nonlocal (401.82240s) stopped
T25 >> 1462733479.78531289 redistribute (61.36859s) started
T25 << 1462733481.41660595 redistribute (62.99989s) stopped
T25 << 1462733481.41899204 van der Waals (606.07752s) stopped
T25 << 1462733481.90118194 XC 3D grid (626.85511s) stopped
T25 >> 1462733481.90122390 Poisson (309.70701s) started
T25 << 1462733495.28468609 Poisson (323.09047s) stopped
T25 >> 1462733495.28476691 Hartree integrate/restrict (7.80481s) started
T25 << 1462733495.34838891 Hartree integrate/restrict (7.86843s) stopped
T25 >> 1462733495.34843898 Hartree integrate/restrict (7.86846s) started
T25 << 1462733495.69216108 Hartree integrate/restrict (8.21218s) stopped
T25 >> 1462733495.75324512 Atomic (222.03896s) started
T25 >> 1462733495.77179098 XC Correction (167.73180s) started
T25 << 1462733505.74971604 XC Correction (177.70972s) stopped
T25 << 1462733508.57069898 Atomic (234.85641s) stopped
T25 >> 1462733508.57104206 Communicate (21.81059s) started
T25 << 1462733509.31517291 Communicate (22.55472s) stopped
T25 << 1462733509.31519794 Hamiltonian (1217.40998s) stopped
T25 << 1462733509.31525898 LCAO WFS Initialize (1514.48678s) stopped
T25 << 1462733509.32764006 Initialization (2580.19844s) stopped
T25 >> 1462733509.35653901 SCF-cycle (32653.77530s) started
T25 >> 1462733509.35658789 LCAO eigensolver (14702.76057s) started
T25 >> 1462733509.35660100 Potential matrix (496.58257s) started
T25 << 1462733511.72828007 Potential matrix (498.95425s) stopped
T25 >> 1462733511.72836804 DistributedAtomicCorrection (206.74631s) started
T25 << 1462733512.73584890 DistributedAtomicCorrection (207.75379s) stopped
T25 >> 1462733512.73589301 Distribute overlap matrix (1125.19980s) started
T25 >> 1462733512.73593593 blocked summation (1099.80487s) started
T25 << 1462733518.59763002 blocked summation (1105.66657s) stopped
T25 >> 1462733518.60716796 Scalapack redistribute (23.40632s) started
T25 << 1462733518.72117305 Scalapack redistribute (23.52033s) stopped
T25 << 1462733518.72123098 Distribute overlap matrix (1131.18514s) stopped
T25 >> 1462733518.72688007 Blacs Orbital Layouts (11844.05687s) started
T25 >> 1462733518.73526502 General diagonalize (11795.45556s) started
T25 << 1462733578.02614093 General diagonalize (11854.74644s) stopped
T25 >> 1462733578.02622390 Redistribute coefs (3.95080s) started
T25 << 1462733578.04307294 Redistribute coefs (3.96765s) stopped
T25 >> 1462733578.04312110 Send coefs to domains (42.79382s) started
T25 << 1462733578.38044691 Send coefs to domains (43.13115s) stopped
T25 << 1462733578.38125706 Blacs Orbital Layouts (11903.71125s) stopped
T25 >> 1462733578.38128710 Calculate projections (1028.96331s) started
T25 << 1462733583.23171210 Calculate projections (1033.81374s) stopped
T25 << 1462733583.23213601 LCAO eigensolver (14776.63611s) stopped
T25 >> 1462733584.37579894 Density (3264.20430s) started
T25 >> 1462733584.37581205 Pseudo density (2665.79396s) started
T25 >> 1462733584.37719107 Calculate density matrix (2348.50450s) started
T25 << 1462733597.30585098 Calculate density matrix (2361.43316s) stopped
T25 >> 1462733597.30590510 Construct density (308.79456s) started
T25 << 1462733598.94533110 Construct density (310.43399s) stopped
T25 >> 1462733598.98677897 Symmetrize density (0.01492s) started
T25 << 1462733598.98684192 Symmetrize density (0.01498s) stopped
T25 << 1462733598.98890591 Pseudo density (2680.40706s) stopped
T25 >> 1462733598.98896909 Atomic density matrices (497.39782s) started
T25 << 1462733601.64358807 Atomic density matrices (500.05244s) stopped
T25 >> 1462733601.64363790 Multipole moments (1.73391s) started
T25 << 1462733601.65140796 Multipole moments (1.74168s) stopped
T25 >> 1462733601.65146899 Normalize (1.60131s) started
T25 << 1462733601.65914989 Normalize (1.60899s) stopped
T25 >> 1462733601.65919900 Mix (97.65630s) started
T25 << 1462733602.08702803 Mix (98.08412s) stopped
T25 << 1462733602.08711100 Density (3281.91561s) stopped
T25 >> 1462733602.08724403 Hamiltonian (14416.41284s) started
T25 >> 1462733602.08726311 vbar (5.34096s) started
T25 << 1462733602.11533093 vbar (5.36903s) stopped
T25 >> 1462733602.11544895 XC 3D grid (10485.42775s) started
T25 >> 1462733602.63379598 van der Waals (10297.29549s) started
T25 >> 1462733602.76637411 semilocal (4715.14956s) started
T25 << 1462733609.21795607 semilocal (4721.60114s) stopped
T25 >> 1462733609.29473996 redistribute (1931.73275s) started
T25 << 1462733610.60907006 redistribute (1933.04708s) stopped
T25 >> 1462733610.60911107 libvdwxc nonlocal (3610.57018s) started
T25 << 1462733630.30586600 libvdwxc nonlocal (3630.26694s) stopped
T25 >> 1462733630.30593300 redistribute (1933.04711s) started
T25 << 1462733632.44749188 redistribute (1935.18867s) stopped
T25 << 1462733632.44943905 van der Waals (10327.11113s) stopped
T25 << 1462733632.94152808 XC 3D grid (10516.25382s) stopped
T25 >> 1462733632.94157100 Poisson (1687.58232s) started
T25 << 1462733638.79306507 Poisson (1693.43381s) stopped
T25 >> 1462733638.79313898 Hartree integrate/restrict (73.39321s) started
T25 << 1462733638.83195591 Hartree integrate/restrict (73.43203s) stopped
T25 >> 1462733638.83209991 Hartree integrate/restrict (73.43213s) started
T25 << 1462733639.20348191 Hartree integrate/restrict (73.80351s) stopped
T25 >> 1462733639.25899601 Atomic (1812.68016s) started
T25 >> 1462733639.27730393 XC Correction (1416.72643s) started
T25 << 1462733649.01887608 XC Correction (1426.46800s) stopped
T25 << 1462733652.09035611 Atomic (1825.51152s) stopped
T25 >> 1462733652.09062004 Communicate (341.24852s) started
T25 << 1462733652.58665395 Communicate (341.74455s) stopped
T25 << 1462733652.58667898 Hamiltonian (14466.91228s) stopped
T25 >> 1462733652.58677912 LCAO eigensolver (14776.63613s) started
T25 >> 1462733652.58679509 Potential matrix (498.95430s) started
T25 << 1462733654.98371005 Potential matrix (501.35122s) stopped
T25 >> 1462733654.98379993 DistributedAtomicCorrection (207.75382s) started
T25 << 1462733655.93011904 DistributedAtomicCorrection (208.70014s) stopped
T25 >> 1462733655.93016791 Distribute overlap matrix (1131.18515s) started
T25 >> 1462733655.93020606 blocked summation (1105.66660s) started
T25 << 1462733661.78401399 blocked summation (1111.52041s) stopped
T25 >> 1462733661.79373288 Scalapack redistribute (23.52037s) started
T25 << 1462733661.90935111 Scalapack redistribute (23.63598s) stopped
T25 << 1462733661.90942693 Distribute overlap matrix (1137.16441s) stopped
T25 >> 1462733661.91459799 Blacs Orbital Layouts (11903.71127s) started
T25 >> 1462733661.92361808 General diagonalize (11854.74651s) started
T25 << 1462733719.29453707 General diagonalize (11912.11743s) stopped
T25 >> 1462733719.29459190 Redistribute coefs (3.96768s) started
T25 << 1462733719.31151700 Redistribute coefs (3.98461s) stopped
T25 >> 1462733719.31156707 Send coefs to domains (43.13118s) started
T25 << 1462733719.41084599 Send coefs to domains (43.23046s) stopped
T25 << 1462733719.41151500 Blacs Orbital Layouts (11961.20819s) stopped
T25 >> 1462733719.41154504 Calculate projections (1033.81379s) started
T25 << 1462733724.23056889 Calculate projections (1038.63282s) stopped
T25 << 1462733724.23096991 LCAO eigensolver (14848.28032s) stopped
T25 >> 1462733725.43103099 Density (3281.91563s) started
T25 >> 1462733725.43105102 Pseudo density (2680.40711s) started
T25 >> 1462733725.43367505 Calculate density matrix (2361.43319s) started
T25 << 1462733738.41166401 Calculate density matrix (2374.41118s) stopped
T25 >> 1462733738.41172194 Construct density (310.43405s) started
T25 << 1462733740.05754995 Construct density (312.07987s) stopped
T25 >> 1462733740.10598993 Symmetrize density (0.01500s) started
T25 << 1462733740.10605001 Symmetrize density (0.01506s) stopped
T25 << 1462733740.10841203 Pseudo density (2695.08447s) stopped
T25 >> 1462733740.10846591 Atomic density matrices (500.05246s) started
T25 << 1462733742.72735190 Atomic density matrices (502.67135s) stopped
T25 >> 1462733742.72740197 Multipole moments (1.74170s) started
T25 << 1462733742.73672104 Multipole moments (1.75102s) stopped
T25 >> 1462733742.73677993 Normalize (1.60903s) started
T25 << 1462733742.74896407 Normalize (1.62121s) stopped
T25 >> 1462733742.74904704 Mix (98.08420s) started
T25 << 1462733743.22796988 Mix (98.56313s) stopped
T25 << 1462733743.22804403 Density (3299.71265s) stopped
T25 >> 1462733743.22818089 Hamiltonian (14466.91229s) started
T25 >> 1462733743.22819805 vbar (5.36909s) started
T25 << 1462733743.25704503 vbar (5.39794s) stopped
T25 >> 1462733743.25714803 XC 3D grid (10516.25386s) started
T25 >> 1462733743.75275111 van der Waals (10327.11118s) started
T25 >> 1462733743.88728690 semilocal (4721.60124s) started
T25 << 1462733750.20931697 semilocal (4727.92327s) stopped
T25 >> 1462733750.28781796 redistribute (1935.18873s) started
T25 << 1462733751.88435698 redistribute (1936.78527s) stopped
T25 >> 1462733751.88442206 libvdwxc nonlocal (3630.26699s) started
T25 << 1462733771.09097600 libvdwxc nonlocal (3649.47354s) stopped
T25 >> 1462733771.09103489 redistribute (1936.78532s) started
T25 << 1462733772.79296708 redistribute (1938.48726s) stopped
T25 << 1462733772.79443407 van der Waals (10356.15286s) stopped
T25 << 1462733773.28921103 XC 3D grid (10546.28592s) stopped
T25 >> 1462733773.28925204 Poisson (1693.43386s) started
T25 << 1462733780.47675800 Poisson (1700.62137s) stopped
T25 >> 1462733780.47682500 Hartree integrate/restrict (73.80354s) started
T25 << 1462733780.53230095 Hartree integrate/restrict (73.85902s) stopped
T25 >> 1462733780.53235507 Hartree integrate/restrict (73.85905s) started
T25 << 1462733780.85386992 Hartree integrate/restrict (74.18057s) stopped
T25 >> 1462733780.91377997 Atomic (1825.51154s) started
T25 >> 1462733780.93106890 XC Correction (1426.46803s) started
T25 << 1462733790.12568998 XC Correction (1435.66265s) stopped
T25 << 1462733793.00737309 Atomic (1837.60513s) stopped
T25 >> 1462733793.00767708 Communicate (341.74457s) started
T25 << 1462733794.32315111 Communicate (343.06004s) stopped
T25 << 1462733794.32318091 Hamiltonian (14518.00729s) stopped
T25 >> 1462733794.32331109 LCAO eigensolver (14848.28034s) started
T25 >> 1462733794.32332611 Potential matrix (501.35127s) started
T25 << 1462733796.72516799 Potential matrix (503.75311s) stopped
T25 >> 1462733796.72525692 DistributedAtomicCorrection (208.70018s) started
T25 << 1462733797.71272397 DistributedAtomicCorrection (209.68765s) stopped
T25 >> 1462733797.71276689 Distribute overlap matrix (1137.16443s) started
T25 >> 1462733797.71281910 blocked summation (1111.52044s) started
T25 << 1462733803.41726303 blocked summation (1117.22488s) stopped
T25 >> 1462733803.42707610 Scalapack redistribute (23.63602s) started
T25 << 1462733803.53271508 Scalapack redistribute (23.74166s) stopped
T25 << 1462733803.53279805 Distribute overlap matrix (1142.98446s) stopped
T25 >> 1462733803.53705597 Blacs Orbital Layouts (11961.20821s) started
T25 >> 1462733803.54516912 General diagonalize (11912.11748s) started
T25 << 1462733858.53098702 General diagonalize (11967.10329s) stopped
T25 >> 1462733858.53103399 Redistribute coefs (3.98465s) started
T25 << 1462733858.54699802 Redistribute coefs (4.00061s) stopped
T25 >> 1462733858.54704595 Send coefs to domains (43.23050s) started
T25 << 1462733859.47378397 Send coefs to domains (44.15724s) stopped
T25 << 1462733859.47436094 Blacs Orbital Layouts (12017.14551s) stopped
T25 >> 1462733859.47438908 Calculate projections (1038.63287s) started
T25 << 1462733864.28843594 Calculate projections (1043.44692s) stopped
T25 << 1462733864.28880501 LCAO eigensolver (14918.24584s) stopped
T25 >> 1462733865.50826097 Density (3299.71266s) started
T25 >> 1462733865.50827599 Pseudo density (2695.08451s) started
T25 >> 1462733865.51071501 Calculate density matrix (2374.41122s) started
T25 << 1462733878.35972595 Calculate density matrix (2387.26023s) stopped
T25 >> 1462733878.35978699 Construct density (312.07993s) started
T25 << 1462733880.00067306 Construct density (313.72081s) stopped
T25 >> 1462733880.01487207 Symmetrize density (0.01508s) started
T25 << 1462733880.01492906 Symmetrize density (0.01513s) stopped
T25 << 1462733880.01725888 Pseudo density (2709.59349s) stopped
T25 >> 1462733880.01731300 Atomic density matrices (502.67137s) started
T25 << 1462733882.67172289 Atomic density matrices (505.32578s) stopped
T25 >> 1462733882.67177200 Multipole moments (1.75103s) started
T25 << 1462733882.68112397 Multipole moments (1.76039s) stopped
T25 >> 1462733882.68118310 Normalize (1.62127s) started
T25 << 1462733882.69463491 Normalize (1.63472s) stopped
T25 >> 1462733882.69473195 Mix (98.56319s) started
T25 << 1462733883.21253991 Mix (99.08100s) stopped
T25 << 1462733883.21266508 Density (3317.41707s) stopped
T25 >> 1462733883.21286201 Hamiltonian (14518.00731s) started
T25 >> 1462733883.21288300 vbar (5.39800s) started
T25 << 1462733883.24068999 vbar (5.42580s) stopped
T25 >> 1462733883.24080992 XC 3D grid (10546.28595s) started
T25 >> 1462733883.75239611 van der Waals (10356.15293s) started
T25 >> 1462733883.88269496 semilocal (4727.92340s) started
T25 << 1462733890.41634607 semilocal (4734.45705s) stopped
T25 >> 1462733890.49810410 redistribute (1938.48735s) started
T25 << 1462733891.72339392 redistribute (1939.71264s) stopped
T25 >> 1462733891.72343707 libvdwxc nonlocal (3649.47359s) started
T25 << 1462733911.34246898 libvdwxc nonlocal (3669.09262s) stopped
T25 >> 1462733911.34253192 redistribute (1939.71267s) started
T25 << 1462733912.93304300 redistribute (1941.30318s) stopped
T25 << 1462733912.93485498 van der Waals (10385.33539s) stopped
T25 << 1462733913.42651200 XC 3D grid (10576.47166s) stopped
T25 >> 1462733913.42657089 Poisson (1700.62141s) started
T25 << 1462733919.33220291 Poisson (1706.52705s) stopped
T25 >> 1462733919.33231592 Hartree integrate/restrict (74.18061s) started
T25 << 1462733919.39945292 Hartree integrate/restrict (74.24774s) stopped
T25 >> 1462733919.39951301 Hartree integrate/restrict (74.24779s) started
T25 << 1462733919.76197100 Hartree integrate/restrict (74.61024s) stopped
T25 >> 1462733919.81806397 Atomic (1837.60516s) started
T25 >> 1462733919.83521605 XC Correction (1435.66268s) started
T25 << 1462733928.83801103 XC Correction (1444.66547s) stopped
T25 << 1462733931.24348807 Atomic (1849.03058s) stopped
T25 >> 1462733931.24379396 Communicate (343.06006s) started
T25 << 1462733933.21708012 Communicate (345.03334s) stopped
T25 << 1462733933.21710610 Hamiltonian (14568.01155s) stopped
T25 >> 1462733933.21720791 LCAO eigensolver (14918.24586s) started
T25 >> 1462733933.21722293 Potential matrix (503.75316s) started
T25 << 1462733935.61922002 Potential matrix (506.15516s) stopped
T25 >> 1462733935.61931896 DistributedAtomicCorrection (209.68769s) started
T25 << 1462733936.65673590 DistributedAtomicCorrection (210.72510s) stopped
T25 >> 1462733936.65678596 Distribute overlap matrix (1142.98447s) started
T25 >> 1462733936.65683508 blocked summation (1117.22492s) started
T25 << 1462733942.31392193 blocked summation (1122.88201s) stopped
T25 >> 1462733942.32368708 Scalapack redistribute (23.74172s) started
T25 << 1462733942.43752909 Scalapack redistribute (23.85556s) stopped
T25 << 1462733942.43763494 Distribute overlap matrix (1148.76532s) stopped
T25 >> 1462733942.44303203 Blacs Orbital Layouts (12017.14553s) started
T25 >> 1462733942.45123005 General diagonalize (11967.10333s) started
T25 << 1462733999.58881688 General diagonalize (12024.24092s) stopped
T25 >> 1462733999.58888602 Redistribute coefs (4.00065s) started
T25 << 1462733999.60515404 Redistribute coefs (4.01691s) stopped
T25 >> 1462733999.60519600 Send coefs to domains (44.15728s) started
T25 << 1462733999.69816399 Send coefs to domains (44.25025s) stopped
T25 << 1462733999.69865108 Blacs Orbital Layouts (12074.40115s) stopped
T25 >> 1462733999.69867802 Calculate projections (1043.44697s) started
T25 << 1462734004.54960394 Calculate projections (1048.29790s) stopped
T25 << 1462734004.54993105 LCAO eigensolver (14989.57858s) stopped
T25 >> 1462734005.74418592 Density (3317.41709s) started
T25 >> 1462734005.74420094 Pseudo density (2709.59354s) started
T25 >> 1462734005.74556708 Calculate density matrix (2387.26027s) started
T25 << 1462734018.61001205 Calculate density matrix (2400.12472s) stopped
T25 >> 1462734018.61006498 Construct density (313.72087s) started
T25 << 1462734020.24592590 Construct density (315.35673s) stopped
T25 >> 1462734020.28493190 Symmetrize density (0.01515s) started
T25 << 1462734020.28499889 Symmetrize density (0.01522s) stopped
T25 << 1462734020.28708601 Pseudo density (2724.13642s) stopped
T25 >> 1462734020.28714204 Atomic density matrices (505.32581s) started
T25 << 1462734022.94393992 Atomic density matrices (507.98261s) stopped
T25 >> 1462734022.94399309 Multipole moments (1.76040s) started
T25 << 1462734022.95392799 Multipole moments (1.77034s) stopped
T25 >> 1462734022.95399189 Normalize (1.63480s) started
T25 << 1462734022.96225500 Normalize (1.64306s) stopped
T25 >> 1462734022.96229911 Mix (99.08112s) started
T25 << 1462734023.47594190 Mix (99.59476s) stopped
T25 << 1462734023.47599006 Density (3335.14889s) stopped
T25 >> 1462734023.47613311 Hamiltonian (14568.01156s) started
T25 >> 1462734023.47615790 vbar (5.42587s) started
T25 << 1462734023.50590897 vbar (5.45562s) stopped
T25 >> 1462734023.50604892 XC 3D grid (10576.47171s) started
T25 >> 1462734024.00499606 van der Waals (10385.33548s) started
T25 >> 1462734024.13725805 semilocal (4734.45718s) started
T25 << 1462734031.42338800 semilocal (4741.74331s) stopped
T25 >> 1462734031.47904396 redistribute (1941.30325s) started
T25 << 1462734032.38360190 redistribute (1942.20781s) stopped
T25 >> 1462734032.38364697 libvdwxc nonlocal (3669.09267s) started
T25 << 1462734051.43122506 libvdwxc nonlocal (3688.14025s) stopped
T25 >> 1462734051.43129897 redistribute (1942.20785s) started
T25 << 1462734053.53218389 redistribute (1944.30873s) stopped
T25 << 1462734053.53378797 van der Waals (10414.86427s) stopped
T25 << 1462734054.01743197 XC 3D grid (10606.98309s) stopped
T25 >> 1462734054.01747489 Poisson (1706.52713s) started
T25 << 1462734058.50164199 Poisson (1711.01130s) stopped
T25 >> 1462734058.50172591 Hartree integrate/restrict (74.61028s) started
T25 << 1462734058.53649306 Hartree integrate/restrict (74.64505s) stopped
T25 >> 1462734058.53661990 Hartree integrate/restrict (74.64514s) started
T25 << 1462734058.89842200 Hartree integrate/restrict (75.00694s) stopped
T25 >> 1462734058.95520997 Atomic (1849.03060s) started
T25 >> 1462734058.97269201 XC Correction (1444.66550s) started
T25 << 1462734068.01484108 XC Correction (1453.70765s) stopped
T25 << 1462734070.34755301 Atomic (1860.42295s) stopped
T25 >> 1462734070.34781098 Communicate (345.03336s) started
T25 << 1462734072.37537789 Communicate (347.06093s) stopped
T25 << 1462734072.37540293 Hamiltonian (14616.91083s) stopped
T25 >> 1462734072.37549806 LCAO eigensolver (14989.57860s) started
T25 >> 1462734072.37551403 Potential matrix (506.15522s) started
T25 << 1462734074.77913904 Potential matrix (508.55884s) stopped
T25 >> 1462734074.77923989 DistributedAtomicCorrection (210.72514s) started
T25 << 1462734075.73396301 DistributedAtomicCorrection (211.67987s) stopped
T25 >> 1462734075.73401594 Distribute overlap matrix (1148.76533s) started
T25 >> 1462734075.73406005 blocked summation (1122.88204s) started
T25 << 1462734081.20794010 blocked summation (1128.35592s) stopped
T25 >> 1462734081.21737695 Scalapack redistribute (23.85564s) started
T25 << 1462734081.31019711 Scalapack redistribute (23.94846s) stopped
T25 << 1462734081.31027007 Distribute overlap matrix (1154.34159s) stopped
T25 >> 1462734081.31572294 Blacs Orbital Layouts (12074.40117s) started
T25 >> 1462734081.32377791 General diagonalize (12024.24097s) started
T25 << 1462734139.08583593 General diagonalize (12082.00303s) stopped
T25 >> 1462734139.08588600 Redistribute coefs (4.01695s) started
T25 << 1462734139.11919689 Redistribute coefs (4.05026s) stopped
T25 >> 1462734139.11923695 Send coefs to domains (44.25028s) started
T25 << 1462734141.00034904 Send coefs to domains (46.13140s) stopped
T25 << 1462734141.00079489 Blacs Orbital Layouts (12134.08624s) stopped
T25 >> 1462734141.00082588 Calculate projections (1048.29796s) started
T25 << 1462734145.86831808 Calculate projections (1053.16545s) stopped
T25 << 1462734145.86864805 LCAO eigensolver (15063.07175s) stopped
T25 >> 1462734146.97728395 Density (3335.14891s) started
T25 >> 1462734146.97729897 Pseudo density (2724.13647s) started
T25 >> 1462734146.97866106 Calculate density matrix (2400.12475s) started
T25 << 1462734159.92836809 Calculate density matrix (2413.07446s) stopped
T25 >> 1462734159.92842507 Construct density (315.35679s) started
T25 << 1462734161.56865692 Construct density (316.99702s) stopped
T25 >> 1462734161.58236790 Symmetrize density (0.01524s) started
T25 << 1462734161.58242607 Symmetrize density (0.01529s) stopped
T25 << 1462734161.58473992 Pseudo density (2738.74391s) stopped
T25 >> 1462734161.58479500 Atomic density matrices (507.98263s) started
T25 << 1462734164.26603389 Atomic density matrices (510.66387s) stopped
T25 >> 1462734164.26608706 Multipole moments (1.77036s) started
T25 << 1462734164.27662492 Multipole moments (1.78089s) stopped
T25 >> 1462734164.27668309 Normalize (1.64309s) started
T25 << 1462734164.28546000 Normalize (1.65187s) stopped
T25 >> 1462734164.28555298 Mix (99.59481s) started
T25 << 1462734164.86719298 Mix (100.17645s) stopped
T25 << 1462734164.86726809 Density (3353.03889s) stopped
T25 >> 1462734164.86736798 Hamiltonian (14616.91085s) started
T25 >> 1462734164.86742711 vbar (5.45570s) started
T25 << 1462734164.89022994 vbar (5.47850s) stopped
T25 >> 1462734164.89034104 XC 3D grid (10606.98312s) started
T25 >> 1462734165.46362400 van der Waals (10414.86431s) started
T25 >> 1462734165.59436607 semilocal (4741.74337s) started
T25 << 1462734750.96346498 semilocal (5327.11247s) stopped
T25 >> 1462734751.06806397 redistribute (1944.30882s) started
T25 << 1462734752.23629308 redistribute (1945.47705s) stopped
T25 >> 1462734752.23633790 libvdwxc nonlocal (3688.14030s) started
T25 << 1462734771.76093793 libvdwxc nonlocal (3707.66490s) stopped
T25 >> 1462734771.76100302 redistribute (1945.47708s) started
T25 << 1462734773.41693211 redistribute (1947.13301s) stopped
T25 << 1462734773.41917491 van der Waals (11022.81986s) stopped
T25 << 1462734773.91919899 XC 3D grid (11216.01198s) stopped
T25 >> 1462734773.91924500 Poisson (1711.01136s) started
T25 << 1462734778.34242010 Poisson (1715.43454s) stopped
T25 >> 1462734778.34248710 Hartree integrate/restrict (75.00697s) started
T25 << 1462734778.40781403 Hartree integrate/restrict (75.07230s) stopped
T25 >> 1462734778.40787506 Hartree integrate/restrict (75.07234s) started
T25 << 1462734778.70454597 Hartree integrate/restrict (75.36901s) stopped
T25 >> 1462734778.76786494 Atomic (1860.42297s) started
T25 >> 1462734778.78539705 XC Correction (1453.70767s) started
T25 << 1462734787.84384704 XC Correction (1462.76612s) stopped
T25 << 1462734790.22236300 Atomic (1871.87746s) stopped
T25 >> 1462734790.22259212 Communicate (347.06094s) started
T25 << 1462734792.14045691 Communicate (348.97881s) stopped
T25 << 1462734792.14048290 Hamiltonian (15244.18396s) stopped
T25 >> 1462734792.14057803 LCAO eigensolver (15063.07177s) started
T25 >> 1462734792.14059305 Potential matrix (508.55890s) started
T25 << 1462734794.53566098 Potential matrix (510.95397s) stopped
T25 >> 1462734794.53575301 DistributedAtomicCorrection (211.67991s) started
T25 << 1462734795.51385498 DistributedAtomicCorrection (212.65801s) stopped
T25 >> 1462734795.51395798 Distribute overlap matrix (1154.34160s) started
T25 >> 1462734795.51398110 blocked summation (1128.35595s) started
T25 << 1462734800.95389295 blocked summation (1133.79587s) stopped
T25 >> 1462734800.96310401 Scalapack redistribute (23.94851s) started
T25 << 1462734801.07805800 Scalapack redistribute (24.06346s) stopped
T25 << 1462734801.07814002 Distribute overlap matrix (1159.90579s) stopped
T25 >> 1462734801.08258700 Blacs Orbital Layouts (12134.08626s) started
T25 >> 1462734801.09128308 General diagonalize (12082.00307s) started
T25 << 1462734859.61119390 General diagonalize (12140.52299s) stopped
T25 >> 1462734859.61124110 Redistribute coefs (4.05029s) started
T25 << 1462734859.63877702 Redistribute coefs (4.07782s) stopped
T25 >> 1462734859.63881493 Send coefs to domains (46.13144s) started
T25 << 1462734859.79401708 Send coefs to domains (46.28664s) stopped
T25 << 1462734859.79461908 Blacs Orbital Layouts (12192.79830s) stopped
T25 >> 1462734859.79464793 Calculate projections (1053.16551s) started
T25 << 1462734864.61121893 Calculate projections (1057.98208s) stopped
T25 << 1462734864.61141109 LCAO eigensolver (15135.54260s) stopped
T25 >> 1462734865.85411811 Density (3353.03890s) started
T25 >> 1462734865.85413289 Pseudo density (2738.74395s) started
T25 >> 1462734865.85595703 Calculate density matrix (2413.07450s) started
T25 << 1462734878.73199010 Calculate density matrix (2425.95053s) stopped
T25 >> 1462734878.73205304 Construct density (316.99707s) started
T25 << 1462734880.37089491 Construct density (318.63591s) stopped
T25 >> 1462734880.41278911 Symmetrize density (0.01531s) started
T25 << 1462734880.41284609 Symmetrize density (0.01537s) stopped
T25 << 1462734880.41512895 Pseudo density (2753.30495s) stopped
T25 >> 1462734880.41518307 Atomic density matrices (510.66390s) started
T25 << 1462734883.05987692 Atomic density matrices (513.30859s) stopped
T25 >> 1462734883.05992603 Multipole moments (1.78091s) started
T25 << 1462734883.06936193 Multipole moments (1.79035s) stopped
T25 >> 1462734883.06942105 Normalize (1.65194s) started
T25 << 1462734883.08255100 Normalize (1.66507s) stopped
T25 >> 1462734883.08261800 Mix (100.17652s) started
T25 << 1462734883.62863398 Mix (100.72254s) stopped
T25 << 1462734883.62870312 Density (3370.81349s) stopped
T25 >> 1462734883.62879992 Hamiltonian (15244.18397s) started
T25 >> 1462734883.62881494 vbar (5.47856s) started
T25 << 1462734883.64758205 vbar (5.49733s) stopped
T25 >> 1462734883.64767909 XC 3D grid (11216.01202s) started
T25 >> 1462734884.25858593 van der Waals (11022.81996s) started
T25 >> 1462734884.39050293 semilocal (5327.11258s) started
T25 << 1462735011.97804689 semilocal (5454.70013s) stopped
T25 >> 1462735012.06344199 redistribute (1947.13311s) started
T25 << 1462735013.28273296 redistribute (1948.35241s) stopped
T25 >> 1462735013.28277802 libvdwxc nonlocal (3707.66495s) started
T25 << 1462735032.97318602 libvdwxc nonlocal (3727.35536s) stopped
T25 >> 1462735032.97325611 redistribute (1948.35244s) started
T25 << 1462735034.65697694 redistribute (1950.03616s) stopped
T25 << 1462735034.65884805 van der Waals (11173.22022s) stopped
T25 << 1462735035.16866493 XC 3D grid (11367.53300s) stopped
T25 >> 1462735035.16870999 Poisson (1715.43459s) started
T25 << 1462735039.60341692 Poisson (1719.86930s) stopped
T25 >> 1462735039.60347509 Hartree integrate/restrict (75.36906s) started
T25 << 1462735039.66685200 Hartree integrate/restrict (75.43244s) stopped
T25 >> 1462735039.66690111 Hartree integrate/restrict (75.43247s) started
T25 << 1462735039.98683405 Hartree integrate/restrict (75.75240s) stopped
T25 >> 1462735040.04431009 Atomic (1871.87748s) started
T25 >> 1462735040.06171203 XC Correction (1462.76615s) started
T25 << 1462735049.12488794 XC Correction (1471.82932s) stopped
T25 << 1462735051.50203300 Atomic (1883.33521s) stopped
T25 >> 1462735051.50228405 Communicate (348.97882s) started
T25 << 1462735053.38083291 Communicate (350.85737s) stopped
T25 << 1462735053.38086200 Hamiltonian (15413.93604s) stopped
T25 >> 1462735053.38096905 LCAO eigensolver (15135.54262s) started
T25 >> 1462735053.38098407 Potential matrix (510.95402s) started
T25 << 1462735055.77345109 Potential matrix (513.34649s) stopped
T25 >> 1462735055.77353001 DistributedAtomicCorrection (212.65805s) started
T25 << 1462735056.71261191 DistributedAtomicCorrection (213.59713s) stopped
T25 >> 1462735056.71265411 Distribute overlap matrix (1159.90580s) started
T25 >> 1462735056.71272612 blocked summation (1133.79590s) started
T25 << 1462735062.49343109 blocked summation (1139.57661s) stopped
T25 >> 1462735062.50306511 Scalapack redistribute (24.06351s) started
T25 << 1462735062.60277390 Scalapack redistribute (24.16322s) stopped
T25 << 1462735062.60285211 Distribute overlap matrix (1165.79600s) stopped
T25 >> 1462735062.60797191 Blacs Orbital Layouts (12192.79831s) started
T25 >> 1462735062.61641788 General diagonalize (12140.52303s) started
T25 << 1462735117.30725098 General diagonalize (12195.21386s) stopped
T25 >> 1462735117.30730891 Redistribute coefs (4.07785s) started
T25 << 1462735117.32594109 Redistribute coefs (4.09649s) stopped
T25 >> 1462735117.32600403 Send coefs to domains (46.28669s) started
T25 << 1462735117.43765402 Send coefs to domains (46.39834s) stopped
T25 << 1462735117.43815303 Blacs Orbital Layouts (12247.62849s) stopped
T25 >> 1462735117.43818212 Calculate projections (1057.98214s) started
T25 << 1462735122.25174999 Calculate projections (1062.79571s) stopped
T25 << 1462735122.25210190 LCAO eigensolver (15204.41375s) stopped
T25 << 1462735123.47978497 SCF-cycle (34267.89854s) stopped
T25 >> 1462735126.35729504 Force calculation (1732.03770s) started
T25 >> 1462735126.35737205 LCAO forces (1555.21532s) started
T25 >> 1462735126.35773802 Initial (0.00046s) started
T25 << 1462735126.35774803 Initial (0.00047s) stopped
T25 >> 1462735126.36414599 Get density matrix (726.27546s) started
T25 << 1462735136.59971595 Get density matrix (736.51103s) stopped
T25 >> 1462735136.59975791 Potential (247.71016s) started
T25 << 1462735149.00780511 Potential (260.11821s) stopped
T25 >> 1462735149.00785899 Get density matrix (736.51107s) started
T25 << 1462735176.18301511 Get density matrix (763.68622s) stopped
T25 >> 1462735176.18307996 Prepare TCI loop (48.48584s) started
T25 >> 1462735176.18360710 Get neighbors (44.05384s) started
T25 << 1462735178.33513308 Get neighbors (46.20537s) stopped
T25 >> 1462735178.33576608 broadcast dH (4.40850s) started
T25 << 1462735178.71263504 broadcast dH (4.78537s) stopped
T25 << 1462735178.71268296 Prepare TCI loop (51.01544s) stopped
T25 >> 1462735178.71270108 Not so complicated loop (208.28845s) started
T25 << 1462735189.24627590 Not so complicated loop (218.82203s) stopped
T25 >> 1462735189.36120296 Complicated loop (321.91315s) started
T25 << 1462735205.56619000 Complicated loop (338.11814s) stopped
T25 >> 1462735205.56962705 Wait for sum (0.00205s) started
T25 << 1462735205.56971908 Wait for sum (0.00214s) stopped
T25 << 1462735205.56973290 LCAO forces (1634.42768s) stopped
T25 << 1462735215.00602889 Force calculation (1820.68644s) stopped
T25 >> 1462735215.02603412 Initialization (2580.19846s) started
T25 << 1462735215.02625608 Initialization (2580.19868s) stopped
T25 >> 1462735215.02653790 Initialization (2580.19870s) started
T25 << 1462735215.02669597 Initialization (2580.19886s) stopped
T25 >> 1462735215.02684593 Initialization (2580.19887s) started
T25 << 1462735215.02699590 Initialization (2580.19902s) stopped
T25 >> 1462735238.40841293 Initialization (2580.19904s) started
T25 >> 1462735238.57123590 Basic WFS set positions (2.64977s) started
T25 >> 1462735238.57125902 Redistribute (0.27430s) started
T25 << 1462735238.57569695 Redistribute (0.27874s) stopped
T25 << 1462735238.70940304 Basic WFS set positions (2.78794s) stopped
T25 >> 1462735238.70942998 Basis functions set positions (41.09287s) started
T25 << 1462735240.89111710 Basis functions set positions (43.27456s) stopped
T25 >> 1462735240.89433503 TCI: Calculate S, T, P (508.91927s) started
T25 << 1462735266.56200409 TCI: Calculate S, T, P (534.58694s) stopped
T25 >> 1462735266.56210995 blocked summation (453.76127s) started
T25 << 1462735297.22356701 blocked summation (484.42273s) stopped
T25 >> 1462735297.24447298 Scalapack redistribute (5.62174s) started
T25 << 1462735297.35882306 Scalapack redistribute (5.73609s) stopped
T25 >> 1462735297.35968208 blocked summation (484.42277s) started
T25 << 1462735298.64478302 blocked summation (485.70787s) stopped
T25 >> 1462735298.65411901 Scalapack redistribute (5.73614s) started
T25 << 1462735298.76999307 Scalapack redistribute (5.85202s) stopped
T25 >> 1462735298.77250791 Redistribute (0.77271s) started
T25 << 1462735298.77374411 Redistribute (0.77395s) stopped
T25 >> 1462735300.67953110 Redistribute (0.77397s) started
T25 << 1462735300.68084311 Redistribute (0.77528s) stopped
T25 >> 1462735300.70414400 LCAO WFS Initialize (1514.48680s) started
T25 >> 1462735300.70418000 Density initialize from wavefunctions (296.04651s) started
T25 >> 1462735300.70813608 Calculate density matrix (202.02907s) started
T25 << 1462735310.72152996 Calculate density matrix (212.04246s) stopped
T25 >> 1462735310.72158599 Construct density (32.69138s) started
T25 << 1462735312.36403608 Construct density (34.33383s) stopped
T25 >> 1462735312.37662697 Symmetrize density (0.00156s) started
T25 << 1462735312.37668395 Symmetrize density (0.00162s) stopped
T25 << 1462735315.45833397 Density initialize from wavefunctions (310.80066s) stopped
T25 >> 1462735315.45909500 Hamiltonian (1217.41000s) started
T25 >> 1462735315.45914888 vbar (0.52418s) started
T25 << 1462735315.48550200 vbar (0.55053s) stopped
T25 >> 1462735315.48564911 XC 3D grid (626.85514s) started
T25 >> 1462735315.98187494 van der Waals (606.07761s) started
T25 >> 1462735316.11631393 semilocal (136.99826s) started
T25 << 1462735322.72603202 semilocal (143.60797s) stopped
T25 >> 1462735322.79146910 redistribute (62.99997s) started
T25 << 1462735324.21880293 redistribute (64.42731s) stopped
T25 >> 1462735324.21889305 libvdwxc nonlocal (401.82246s) started
T25 << 1462735343.26197004 libvdwxc nonlocal (420.86554s) stopped
T25 >> 1462735343.26206112 redistribute (64.42734s) started
T25 << 1462735344.97082210 redistribute (66.13610s) stopped
T25 << 1462735344.97201395 van der Waals (635.06775s) stopped
T25 << 1462735345.46920609 XC 3D grid (656.83870s) stopped
T25 >> 1462735345.46925402 Poisson (323.09053s) started
T25 << 1462735356.90976095 Poisson (334.53103s) stopped
T25 >> 1462735356.90985203 Hartree integrate/restrict (8.21222s) started
T25 << 1462735356.95877790 Hartree integrate/restrict (8.26115s) stopped
T25 >> 1462735356.95882797 Hartree integrate/restrict (8.26118s) started
T25 << 1462735357.29613709 Hartree integrate/restrict (8.59849s) stopped
T25 >> 1462735357.35708499 Atomic (234.85643s) started
T25 >> 1462735357.37628388 XC Correction (177.70975s) started
T25 << 1462735367.69616508 XC Correction (188.02963s) stopped
T25 << 1462735371.01779294 Atomic (248.51714s) stopped
T25 >> 1462735371.01820207 Communicate (22.55473s) started
T25 << 1462735371.01840901 Communicate (22.55494s) stopped
T25 << 1462735371.01843190 Hamiltonian (1272.96934s) stopped
T25 << 1462735371.01849198 LCAO WFS Initialize (1584.80115s) stopped
T25 << 1462735371.03084707 Initialization (2712.82148s) stopped
T25 >> 1462735371.06033301 SCF-cycle (34267.89856s) started
T25 >> 1462735371.06038499 LCAO eigensolver (15204.41377s) started
T25 >> 1462735371.06039810 Potential matrix (513.34653s) started
T25 << 1462735373.46129394 Potential matrix (515.74743s) stopped
T25 >> 1462735373.46138406 DistributedAtomicCorrection (213.59717s) started
T25 << 1462735374.52469492 DistributedAtomicCorrection (214.66048s) stopped
T25 >> 1462735374.52473903 Distribute overlap matrix (1165.79601s) started
T25 >> 1462735374.52478194 blocked summation (1139.57664s) started
T25 << 1462735380.12073708 blocked summation (1145.17260s) stopped
T25 >> 1462735380.12961102 Scalapack redistribute (24.16326s) started
T25 << 1462735380.21693110 Scalapack redistribute (24.25059s) stopped
T25 << 1462735380.21702504 Distribute overlap matrix (1171.48830s) stopped
T25 >> 1462735380.22130799 Blacs Orbital Layouts (12247.62851s) started
T25 >> 1462735380.22994995 General diagonalize (12195.21391s) started
T25 << 1462735438.04369211 General diagonalize (12253.02765s) stopped
T25 >> 1462735438.04373789 Redistribute coefs (4.09654s) started
T25 << 1462735438.06147695 Redistribute coefs (4.11427s) stopped
T25 >> 1462735438.06151795 Send coefs to domains (46.39838s) started
T25 << 1462735438.24373007 Send coefs to domains (46.58060s) stopped
T25 << 1462735438.24439001 Blacs Orbital Layouts (12305.65160s) stopped
T25 >> 1462735438.24442410 Calculate projections (1062.79576s) started
T25 << 1462735443.14374495 Calculate projections (1067.69508s) stopped
T25 << 1462735443.14396191 LCAO eigensolver (15276.49735s) stopped
T25 >> 1462735444.36885691 Density (3370.81350s) started
T25 >> 1462735444.36887288 Pseudo density (2753.30499s) started
T25 >> 1462735444.37152290 Calculate density matrix (2425.95057s) started
T25 << 1462735457.20080996 Calculate density matrix (2438.77986s) stopped
T25 >> 1462735457.20086694 Construct density (318.63596s) started
T25 << 1462735458.84007096 Construct density (320.27517s) stopped
T25 >> 1462735458.85371304 Symmetrize density (0.01539s) started
T25 << 1462735458.85377908 Symmetrize density (0.01545s) stopped
T25 << 1462735458.85617709 Pseudo density (2767.79230s) stopped
T25 >> 1462735458.85623908 Atomic density matrices (513.30862s) started
T25 << 1462735461.54553795 Atomic density matrices (515.99792s) stopped
T25 >> 1462735461.54558802 Multipole moments (1.79037s) started
T25 << 1462735461.55507207 Multipole moments (1.79985s) stopped
T25 >> 1462735461.55513406 Normalize (1.66512s) started
T25 << 1462735461.56406808 Normalize (1.67405s) stopped
T25 >> 1462735461.56412792 Mix (100.72261s) started
T25 << 1462735462.00832796 Mix (101.16681s) stopped
T25 << 1462735462.00842595 Density (3388.45307s) stopped
T25 >> 1462735462.00858903 Hamiltonian (15413.93605s) started
T25 >> 1462735462.00861192 vbar (5.49739s) started
T25 << 1462735462.04405403 vbar (5.53283s) stopped
T25 >> 1462735462.04420996 XC 3D grid (11367.53304s) started
T25 >> 1462735462.53028989 van der Waals (11173.22028s) started
T25 >> 1462735462.66439009 semilocal (5454.70022s) started
T25 << 1462735469.34805107 semilocal (5461.38388s) stopped
T25 >> 1462735469.41049695 redistribute (1950.03627s) started
T25 << 1462735470.92045403 redistribute (1951.54623s) stopped
T25 >> 1462735470.92049694 libvdwxc nonlocal (3727.35541s) started
T25 << 1462735489.77689695 libvdwxc nonlocal (3746.21181s) stopped
T25 >> 1462735489.77698302 redistribute (1951.54626s) started
T25 << 1462735491.65550900 redistribute (1953.42479s) stopped
T25 << 1462735491.65771890 van der Waals (11202.34771s) stopped
T25 << 1462735492.14491296 XC 3D grid (11397.63374s) stopped
T25 >> 1462735492.14496207 Poisson (1719.86934s) started
T25 << 1462735497.88801098 Poisson (1725.61239s) stopped
T25 >> 1462735497.88808203 Hartree integrate/restrict (75.75244s) started
T25 << 1462735497.93173790 Hartree integrate/restrict (75.79609s) stopped
T25 >> 1462735497.93182898 Hartree integrate/restrict (75.79615s) started
T25 << 1462735498.28435111 Hartree integrate/restrict (76.14867s) stopped
T25 >> 1462735498.34303808 Atomic (1883.33523s) started
T25 >> 1462735498.36174393 XC Correction (1471.82934s) started
T25 << 1462735508.59030509 XC Correction (1482.05790s) stopped
T25 << 1462735512.04601789 Atomic (1897.03821s) stopped
T25 >> 1462735512.04636002 Communicate (350.85739s) started
T25 << 1462735512.04653692 Communicate (350.85757s) stopped
T25 << 1462735512.04656100 Hamiltonian (15463.97402s) stopped
T25 >> 1462735512.04666305 LCAO eigensolver (15276.49737s) started
T25 >> 1462735512.04667807 Potential matrix (515.74748s) started
T25 << 1462735514.43734193 Potential matrix (518.13814s) stopped
T25 >> 1462735514.43743896 DistributedAtomicCorrection (214.66051s) started
T25 << 1462735515.48128390 DistributedAtomicCorrection (215.70436s) stopped
T25 >> 1462735515.48133397 Distribute overlap matrix (1171.48831s) started
T25 >> 1462735515.48141098 blocked summation (1145.17263s) started
T25 << 1462735521.10628700 blocked summation (1150.79751s) stopped
T25 >> 1462735521.11529899 Scalapack redistribute (24.25064s) started
T25 << 1462735521.21771312 Scalapack redistribute (24.35305s) stopped
T25 << 1462735521.21776104 Distribute overlap matrix (1177.22474s) stopped
T25 >> 1462735521.22272110 Blacs Orbital Layouts (12305.65162s) started
T25 >> 1462735521.23112392 General diagonalize (12253.02768s) started
T25 << 1462735578.18434596 General diagonalize (12309.98091s) stopped
T25 >> 1462735578.18439007 Redistribute coefs (4.11431s) started
T25 << 1462735578.20129395 Redistribute coefs (4.13121s) stopped
T25 >> 1462735578.20133710 Send coefs to domains (46.58063s) started
T25 << 1462735578.32507205 Send coefs to domains (46.70437s) stopped
T25 << 1462735578.32566810 Blacs Orbital Layouts (12362.75456s) stopped
T25 >> 1462735578.32569695 Calculate projections (1067.69514s) started
T25 << 1462735583.21448588 Calculate projections (1072.58392s) stopped
T25 << 1462735583.21466589 LCAO eigensolver (15347.66537s) stopped
T25 >> 1462735584.39756489 Density (3388.45309s) started
T25 >> 1462735584.39757991 Pseudo density (2767.79235s) started
T25 >> 1462735584.40003896 Calculate density matrix (2438.77990s) started
T25 << 1462735597.21370506 Calculate density matrix (2451.59356s) stopped
T25 >> 1462735597.21375895 Construct density (320.27522s) started
T25 << 1462735598.85374808 Construct density (321.91521s) stopped
T25 >> 1462735598.90041304 Symmetrize density (0.01547s) started
T25 << 1462735598.90047908 Symmetrize density (0.01554s) stopped
T25 << 1462735598.90309811 Pseudo density (2782.29786s) stopped
T25 >> 1462735598.90315795 Atomic density matrices (515.99794s) started
T25 << 1462735601.57866597 Atomic density matrices (518.67345s) stopped
T25 >> 1462735601.57871699 Multipole moments (1.79987s) started
T25 << 1462735601.58691001 Multipole moments (1.80806s) stopped
T25 >> 1462735601.58697009 Normalize (1.67409s) started
T25 << 1462735601.59467411 Normalize (1.68180s) stopped
T25 >> 1462735601.59474611 Mix (101.16690s) started
T25 << 1462735602.04566002 Mix (101.61782s) stopped
T25 << 1462735602.04576397 Density (3406.10129s) stopped
T25 >> 1462735602.04592204 Hamiltonian (15463.97403s) started
T25 >> 1462735602.04594111 vbar (5.53291s) started
T25 << 1462735602.07337093 vbar (5.56034s) stopped
T25 >> 1462735602.07353210 XC 3D grid (11397.63378s) started
T25 >> 1462735602.56931305 van der Waals (11202.34778s) started
T25 >> 1462735602.69890690 semilocal (5461.38395s) started
T25 << 1462735609.27149796 semilocal (5467.95654s) stopped
T25 >> 1462735609.34352303 redistribute (1953.42489s) started
T25 << 1462735610.52377892 redistribute (1954.60514s) stopped
T25 >> 1462735610.52382398 libvdwxc nonlocal (3746.21187s) started
T25 << 1462735629.68872404 libvdwxc nonlocal (3765.37677s) stopped
T25 >> 1462735629.68876696 redistribute (1954.60518s) started
T25 << 1462735631.72515011 redistribute (1956.64156s) stopped
T25 << 1462735631.72745609 van der Waals (11231.50592s) stopped
T25 << 1462735632.22421908 XC 3D grid (11427.78447s) stopped
T25 >> 1462735632.22426009 Poisson (1725.61244s) started
T25 << 1462735639.34077907 Poisson (1732.72896s) stopped
T25 >> 1462735639.34085107 Hartree integrate/restrict (76.14871s) started
T25 << 1462735639.37968802 Hartree integrate/restrict (76.18754s) stopped
T25 >> 1462735639.37976408 Hartree integrate/restrict (76.18759s) started
T25 << 1462735639.73684692 Hartree integrate/restrict (76.54467s) stopped
T25 >> 1462735639.79463506 Atomic (1897.03823s) started
T25 >> 1462735639.81265593 XC Correction (1482.05794s) started
T25 << 1462735649.29816890 XC Correction (1491.54345s) stopped
T25 << 1462735652.68753409 Atomic (1909.93113s) stopped
T25 >> 1462735652.68784904 Communicate (350.85758s) started
T25 << 1462735653.12647796 Communicate (351.29621s) stopped
T25 << 1462735653.12650394 Hamiltonian (15515.05462s) stopped
T25 >> 1462735653.12661195 LCAO eigensolver (15347.66539s) started
T25 >> 1462735653.12662911 Potential matrix (518.13820s) started
T25 << 1462735655.51366496 Potential matrix (520.52523s) stopped
T25 >> 1462735655.51376510 DistributedAtomicCorrection (215.70440s) started
T25 << 1462735656.51791811 DistributedAtomicCorrection (216.70855s) stopped
T25 >> 1462735656.51796699 Distribute overlap matrix (1177.22475s) started
T25 >> 1462735656.51804590 blocked summation (1150.79754s) started
T25 << 1462735661.92113805 blocked summation (1156.20063s) stopped
T25 >> 1462735661.93033504 Scalapack redistribute (24.35309s) started
T25 << 1462735662.04386497 Scalapack redistribute (24.46662s) stopped
T25 << 1462735662.04394603 Distribute overlap matrix (1182.75073s) stopped
T25 >> 1462735662.04945397 Blacs Orbital Layouts (12362.75459s) started
T25 >> 1462735662.05773306 General diagonalize (12309.98094s) started
T25 << 1462735720.07937002 General diagonalize (12368.00258s) stopped
T25 >> 1462735720.07941794 Redistribute coefs (4.13124s) started
T25 << 1462735720.10736489 Redistribute coefs (4.15919s) stopped
T25 >> 1462735720.10740495 Send coefs to domains (46.70440s) started
T25 << 1462735720.41564298 Send coefs to domains (47.01264s) stopped
T25 << 1462735720.41624808 Blacs Orbital Layouts (12421.12138s) stopped
T25 >> 1462735720.41627598 Calculate projections (1072.58398s) started
T25 << 1462735725.31627107 Calculate projections (1077.48397s) stopped
T25 << 1462735725.31660390 LCAO eigensolver (15419.85538s) stopped
T25 >> 1462735726.39221191 Density (3406.10130s) started
T25 >> 1462735726.39222693 Pseudo density (2782.29791s) started
T25 >> 1462735726.39470792 Calculate density matrix (2451.59360s) started
T25 << 1462735739.48987699 Calculate density matrix (2464.68877s) stopped
T25 >> 1462735739.48993611 Construct density (321.91527s) started
T25 << 1462735741.12963009 Construct density (323.55496s) stopped
T25 >> 1462735741.14326310 Symmetrize density (0.01556s) started
T25 << 1462735741.14333200 Symmetrize density (0.01562s) stopped
T25 << 1462735741.14574194 Pseudo density (2797.05143s) stopped
T25 >> 1462735741.14580798 Atomic density matrices (518.67347s) started
T25 << 1462735743.82570791 Atomic density matrices (521.35337s) stopped
T25 >> 1462735743.82575798 Multipole moments (1.80808s) started
T25 << 1462735743.83589196 Multipole moments (1.81821s) stopped
T25 >> 1462735743.83595204 Normalize (1.68185s) started
T25 << 1462735743.84360290 Normalize (1.68950s) stopped
T25 >> 1462735743.84367490 Mix (101.61791s) started
T25 << 1462735744.31767011 Mix (102.09191s) stopped
T25 << 1462735744.31776690 Density (3424.02686s) stopped
T25 >> 1462735744.31792402 Hamiltonian (15515.05463s) started
T25 >> 1462735744.31794500 vbar (5.56043s) started
T25 << 1462735744.34776998 vbar (5.59026s) stopped
T25 >> 1462735744.34792995 XC 3D grid (11427.78450s) started
T25 >> 1462735744.82601404 van der Waals (11231.50597s) started
T25 >> 1462735744.95786095 semilocal (5467.95662s) started
T25 << 1462735751.69540405 semilocal (5474.69417s) stopped
T25 >> 1462735751.77251101 redistribute (1956.64166s) started
T25 << 1462735752.85792899 redistribute (1957.72708s) stopped
T25 >> 1462735752.85797310 libvdwxc nonlocal (3765.37680s) started
T25 << 1462735771.72341299 libvdwxc nonlocal (3784.24224s) stopped
T25 >> 1462735771.72345591 redistribute (1957.72711s) started
T25 << 1462735773.62223005 redistribute (1959.62588s) stopped
T25 << 1462735773.62462091 van der Waals (11260.30458s) stopped
T25 << 1462735774.11385703 XC 3D grid (11457.55042s) stopped
T25 >> 1462735774.11389899 Poisson (1732.72900s) started
T25 << 1462735778.51703811 Poisson (1737.13214s) stopped
T25 >> 1462735778.51713204 Hartree integrate/restrict (76.54471s) started
T25 << 1462735778.55647302 Hartree integrate/restrict (76.58405s) stopped
T25 >> 1462735778.55654097 Hartree integrate/restrict (76.58409s) started
T25 << 1462735778.90493393 Hartree integrate/restrict (76.93248s) stopped
T25 >> 1462735778.96317101 Atomic (1909.93115s) started
T25 >> 1462735778.98127604 XC Correction (1491.54348s) started
T25 << 1462735788.26203799 XC Correction (1500.82424s) stopped
T25 << 1462735791.01666307 Atomic (1921.98465s) stopped
T25 >> 1462735791.01698399 Communicate (351.29623s) started
T25 << 1462735792.37625194 Communicate (352.65550s) stopped
T25 << 1462735792.37627792 Hamiltonian (15563.11298s) stopped
T25 >> 1462735792.37639499 LCAO eigensolver (15419.85540s) started
T25 >> 1462735792.37641001 Potential matrix (520.52529s) started
T25 << 1462735794.77254796 Potential matrix (522.92143s) stopped
T25 >> 1462735794.77264690 DistributedAtomicCorrection (216.70859s) started
T25 << 1462735795.77379489 DistributedAtomicCorrection (217.70974s) stopped
T25 >> 1462735795.77384496 Distribute overlap matrix (1182.75074s) started
T25 >> 1462735795.77388906 blocked summation (1156.20066s) started
T25 << 1462735801.13764095 blocked summation (1161.56441s) stopped
T25 >> 1462735801.14737606 Scalapack redistribute (24.46667s) started
T25 << 1462735801.24787092 Scalapack redistribute (24.56717s) stopped
T25 << 1462735801.24792194 Distribute overlap matrix (1188.22482s) stopped
T25 >> 1462735801.25315809 Blacs Orbital Layouts (12421.12140s) started
T25 >> 1462735801.26176906 General diagonalize (12368.00262s) started
T25 << 1462735857.86336088 General diagonalize (12424.60421s) stopped
T25 >> 1462735857.86341190 Redistribute coefs (4.15922s) started
T25 << 1462735857.88098788 Redistribute coefs (4.17680s) stopped
T25 >> 1462735857.88103509 Send coefs to domains (47.01267s) started
T25 << 1462735858.03739810 Send coefs to domains (47.16904s) stopped
T25 << 1462735858.03795695 Blacs Orbital Layouts (12477.90620s) stopped
T25 >> 1462735858.03798795 Calculate projections (1077.48402s) started
T25 << 1462735862.88126302 Calculate projections (1082.32730s) stopped
T25 << 1462735862.88164592 LCAO eigensolver (15490.36065s) stopped
T25 >> 1462735864.16232991 Density (3424.02688s) started
T25 >> 1462735864.16234493 Pseudo density (2797.05148s) started
T25 >> 1462735864.16354704 Calculate density matrix (2464.68880s) started
T25 << 1462735876.92675710 Calculate density matrix (2477.45201s) stopped
T25 >> 1462735876.92681599 Construct density (323.55502s) started
T25 << 1462735878.56332707 Construct density (325.19153s) stopped
T25 >> 1462735878.57587194 Symmetrize density (0.01564s) started
T25 << 1462735878.57593203 Symmetrize density (0.01570s) stopped
T25 << 1462735878.57796907 Pseudo density (2811.46711s) stopped
T25 >> 1462735878.57802296 Atomic density matrices (521.35340s) started
T25 << 1462735881.27550697 Atomic density matrices (524.05088s) stopped
T25 >> 1462735881.27555704 Multipole moments (1.81823s) started
T25 << 1462735881.28729296 Multipole moments (1.82997s) stopped
T25 >> 1462735881.28735089 Normalize (1.68956s) started
T25 << 1462735881.29404402 Normalize (1.69625s) stopped
T25 >> 1462735881.29412889 Mix (102.09200s) started
T25 << 1462735881.80163193 Mix (102.59951s) stopped
T25 << 1462735881.80169010 Density (3441.66624s) stopped
T25 >> 1462735881.80181789 Hamiltonian (15563.11299s) started
T25 >> 1462735881.80183506 vbar (5.59035s) started
T25 << 1462735881.83166194 vbar (5.62017s) stopped
T25 >> 1462735881.83180404 XC 3D grid (11457.55046s) started
T25 >> 1462735882.33920193 van der Waals (11260.30466s) started
T25 >> 1462735882.46853089 semilocal (5474.69424s) started
T25 << 1462736132.76044202 semilocal (5724.98615s) stopped
T25 >> 1462736132.83137703 redistribute (1959.62601s) started
T25 << 1462736134.30023193 redistribute (1961.09486s) stopped
T25 >> 1462736134.30027699 libvdwxc nonlocal (3784.24227s) started
T25 << 1462736153.75417900 libvdwxc nonlocal (3803.69617s) stopped
T25 >> 1462736153.75424695 redistribute (1961.09490s) started
T25 << 1462736155.56467891 redistribute (1962.90533s) stopped
T25 << 1462736155.56659889 van der Waals (11533.53206s) stopped
T25 << 1462736156.05608702 XC 3D grid (11731.77474s) stopped
T25 >> 1462736156.05614400 Poisson (1737.13222s) started
T25 << 1462736161.87633395 Poisson (1742.95241s) stopped
T25 >> 1462736161.87642288 Hartree integrate/restrict (76.93253s) started
T25 << 1462736161.93108511 Hartree integrate/restrict (76.98719s) stopped
T25 >> 1462736161.93115306 Hartree integrate/restrict (76.98724s) started
T25 << 1462736162.26333499 Hartree integrate/restrict (77.31942s) stopped
T25 >> 1462736162.32293010 Atomic (1921.98467s) started
T25 >> 1462736162.34055805 XC Correction (1500.82427s) started
T25 << 1462736171.52710509 XC Correction (1510.01082s) stopped
T25 << 1462736174.13852501 Atomic (1933.80026s) stopped
T25 >> 1462736174.13874698 Communicate (352.65551s) started
T25 << 1462736175.76097798 Communicate (354.27774s) stopped
T25 << 1462736175.76100206 Hamiltonian (15857.07218s) stopped
T25 >> 1462736175.76110101 LCAO eigensolver (15490.36067s) started
T25 >> 1462736175.76111603 Potential matrix (522.92148s) started
T25 << 1462736178.15993500 Potential matrix (525.32030s) stopped
T25 >> 1462736178.16002107 DistributedAtomicCorrection (217.70978s) started
T25 << 1462736179.14274812 DistributedAtomicCorrection (218.69251s) stopped
T25 >> 1462736179.14279103 Distribute overlap matrix (1188.22483s) started
T25 >> 1462736179.14286304 blocked summation (1161.56445s) started
T25 << 1462736184.58067393 blocked summation (1167.00226s) stopped
T25 >> 1462736184.59028697 Scalapack redistribute (24.56720s) started
T25 << 1462736184.70061302 Scalapack redistribute (24.67753s) stopped
T25 << 1462736184.70071602 Distribute overlap matrix (1193.78276s) stopped
T25 >> 1462736184.70520401 Blacs Orbital Layouts (12477.90622s) started
T25 >> 1462736184.71327400 General diagonalize (12424.60425s) started
T25 << 1462736242.49557996 General diagonalize (12482.38656s) stopped
T25 >> 1462736242.49562407 Redistribute coefs (4.17683s) started
T25 << 1462736242.51263499 Redistribute coefs (4.19384s) stopped
T25 >> 1462736242.51267695 Send coefs to domains (47.16908s) started
T25 << 1462736242.80183792 Send coefs to domains (47.45824s) stopped
T25 << 1462736242.80229592 Blacs Orbital Layouts (12536.00331s) stopped
T25 >> 1462736242.80232310 Calculate projections (1082.32735s) started
T25 << 1462736247.70501304 Calculate projections (1087.23004s) stopped
T25 << 1462736247.70542502 LCAO eigensolver (15562.30499s) stopped
T25 >> 1462736248.85041595 Density (3441.66625s) started
T25 >> 1462736248.85045695 Pseudo density (2811.46715s) started
T25 >> 1462736248.85304403 Calculate density matrix (2477.45205s) started
T25 << 1462736261.64103699 Calculate density matrix (2490.24004s) stopped
T25 >> 1462736261.64109302 Construct density (325.19158s) started
T25 << 1462736263.28918910 Construct density (326.83968s) stopped
T25 >> 1462736263.30359507 Symmetrize density (0.01572s) started
T25 << 1462736263.30365992 Symmetrize density (0.01579s) stopped
T25 << 1462736263.30604196 Pseudo density (2825.92273s) stopped
T25 >> 1462736263.30610490 Atomic density matrices (524.05091s) started
T25 << 1462736265.96965289 Atomic density matrices (526.71446s) stopped
T25 >> 1462736265.96970391 Multipole moments (1.82999s) started
T25 << 1462736265.98073912 Multipole moments (1.84102s) stopped
T25 >> 1462736265.98080111 Normalize (1.69632s) started
T25 << 1462736265.98968410 Normalize (1.70520s) stopped
T25 >> 1462736265.98973203 Mix (102.59956s) started
T25 << 1462736266.52494001 Mix (103.13477s) stopped
T25 << 1462736266.52503300 Density (3459.34087s) stopped
T25 >> 1462736266.52518201 Hamiltonian (15857.07219s) started
T25 >> 1462736266.52520394 vbar (5.62025s) started
T25 << 1462736266.55667710 vbar (5.65173s) stopped
T25 >> 1462736266.55683494 XC 3D grid (11731.77479s) started
T25 >> 1462736267.04272294 van der Waals (11533.53215s) started
T25 >> 1462736267.17582512 semilocal (5724.98624s) started
T25 << 1462736856.72151089 semilocal (6314.53193s) stopped
T25 >> 1462736856.78355503 redistribute (1962.90543s) started
T25 << 1462736858.67864490 redistribute (1964.80052s) stopped
T25 >> 1462736858.67868900 libvdwxc nonlocal (3803.69622s) started
T25 << 1462736877.79644299 libvdwxc nonlocal (3822.81397s) stopped
T25 >> 1462736877.79650807 redistribute (1964.80055s) started
T25 << 1462736879.86794901 redistribute (1966.87200s) stopped
T25 << 1462736879.87060404 van der Waals (12146.36004s) stopped
T25 << 1462736880.35621905 XC 3D grid (12345.57417s) stopped
T25 >> 1462736880.35626292 Poisson (1742.95248s) started
T25 << 1462736884.73181891 Poisson (1747.32803s) stopped
T25 >> 1462736884.73188090 Hartree integrate/restrict (77.31949s) started
T25 << 1462736884.77460289 Hartree integrate/restrict (77.36221s) stopped
T25 >> 1462736884.77469301 Hartree integrate/restrict (77.36227s) started
T25 << 1462736885.12603688 Hartree integrate/restrict (77.71361s) stopped
T25 >> 1462736885.18526793 Atomic (1933.80028s) started
T25 >> 1462736885.20369697 XC Correction (1510.01084s) started
T25 << 1462736894.50320697 XC Correction (1519.31035s) stopped
T25 << 1462736896.96092391 Atomic (1945.57594s) stopped
T25 >> 1462736896.96122599 Communicate (354.27776s) started
T25 << 1462736898.58635902 Communicate (355.90289s) stopped
T25 << 1462736898.58638597 Hamiltonian (16489.13339s) stopped
T25 >> 1462736898.58649611 LCAO eigensolver (15562.30501s) started
T25 >> 1462736898.58651209 Potential matrix (525.32035s) started
T25 << 1462736900.97555900 Potential matrix (527.70940s) stopped
T25 >> 1462736900.97565889 DistributedAtomicCorrection (218.69255s) started
T25 << 1462736901.96053100 DistributedAtomicCorrection (219.67742s) stopped
T25 >> 1462736901.96058202 Distribute overlap matrix (1193.78277s) started
T25 >> 1462736901.96065688 blocked summation (1167.00229s) started
T25 << 1462736907.41965604 blocked summation (1172.46129s) stopped
T25 >> 1462736907.42951012 Scalapack redistribute (24.67759s) started
T25 << 1462736907.52809405 Scalapack redistribute (24.77618s) stopped
T25 << 1462736907.52819109 Distribute overlap matrix (1199.35038s) stopped
T25 >> 1462736907.53326511 Blacs Orbital Layouts (12536.00333s) started
T25 >> 1462736907.54145694 General diagonalize (12482.38660s) started
T25 << 1462736964.80830097 General diagonalize (12539.65344s) stopped
T25 >> 1462736964.80834699 Redistribute coefs (4.19388s) started
T25 << 1462736964.82562304 Redistribute coefs (4.21115s) stopped
T25 >> 1462736964.82566404 Send coefs to domains (47.45828s) started
T25 << 1462736964.91389394 Send coefs to domains (47.54651s) stopped
T25 << 1462736964.91435909 Blacs Orbital Layouts (12593.38442s) stopped
T25 >> 1462736964.91439009 Calculate projections (1087.23010s) started
T25 << 1462736969.81511998 Calculate projections (1092.13083s) stopped
T25 << 1462736969.81545806 LCAO eigensolver (15633.53397s) stopped
T25 >> 1462736970.97283292 Density (3459.34088s) started
T25 >> 1462736970.97284794 Pseudo density (2825.92279s) started
T25 >> 1462736970.97528696 Calculate density matrix (2490.24008s) started
T25 << 1462736983.81032109 Calculate density matrix (2503.07511s) stopped
T25 >> 1462736983.81037593 Construct density (326.83973s) started
T25 << 1462736985.45320892 Construct density (328.48257s) stopped
T25 >> 1462736985.46726203 Symmetrize density (0.01580s) started
T25 << 1462736985.46732497 Symmetrize density (0.01587s) stopped
T25 << 1462736985.46970797 Pseudo density (2840.41965s) stopped
T25 >> 1462736985.46976709 Atomic density matrices (526.71448s) started
T25 << 1462736988.16212296 Atomic density matrices (529.40684s) stopped
T25 >> 1462736988.16217303 Multipole moments (1.84104s) started
T25 << 1462736988.17339706 Multipole moments (1.85226s) stopped
T25 >> 1462736988.17345691 Normalize (1.70523s) started
T25 << 1462736988.18241596 Normalize (1.71419s) stopped
T25 >> 1462736988.18246388 Mix (103.13486s) started
T25 << 1462736988.67862797 Mix (103.63102s) stopped
T25 << 1462736988.67866611 Density (3477.04672s) stopped
T25 >> 1462736988.67879200 Hamiltonian (16489.13341s) started
T25 >> 1462736988.67881107 vbar (5.65182s) started
T25 << 1462736988.70694304 vbar (5.67995s) stopped
T25 >> 1462736988.70709705 XC 3D grid (12345.57421s) started
T25 >> 1462736989.20364189 van der Waals (12146.36014s) started
T25 >> 1462736989.33752704 semilocal (6314.53200s) started
T25 << 1462736996.11100292 semilocal (6321.30548s) stopped
T25 >> 1462736996.16810393 redistribute (1966.87209s) started
T25 << 1462737146.30798507 redistribute (2117.01197s) stopped
T25 >> 1462737146.30803204 libvdwxc nonlocal (3822.81402s) started
T25 << 1462737165.01361609 libvdwxc nonlocal (3841.51960s) stopped
T25 >> 1462737165.01368308 redistribute (2117.01201s) started
T25 << 1462737166.83448505 redistribute (2118.83281s) stopped
T25 << 1462737166.83695197 van der Waals (12323.99345s) stopped
T25 << 1462737167.31707406 XC 3D grid (12524.18418s) stopped
T25 >> 1462737167.31711602 Poisson (1747.32808s) started
T25 << 1462737171.65318489 Poisson (1751.66415s) stopped
T25 >> 1462737171.65328598 Hartree integrate/restrict (77.71365s) started
T25 << 1462737171.69536996 Hartree integrate/restrict (77.75574s) stopped
T25 >> 1462737171.69553208 Hartree integrate/restrict (77.75585s) started
T25 << 1462737172.07857490 Hartree integrate/restrict (78.13889s) stopped
T25 >> 1462737172.13345098 Atomic (1945.57596s) started
T25 >> 1462737172.15168595 XC Correction (1519.31038s) started
T25 << 1462737181.40482497 XC Correction (1528.56352s) stopped
T25 << 1462737183.94268107 Atomic (1957.38519s) stopped
T25 >> 1462737183.94297194 Communicate (355.90291s) started
T25 << 1462737185.47532701 Communicate (357.43526s) stopped
T25 << 1462737185.47535300 Hamiltonian (16685.92997s) stopped
T25 >> 1462737185.47545195 LCAO eigensolver (15633.53399s) started
T25 >> 1462737185.47546792 Potential matrix (527.70946s) started
T25 << 1462737187.87766004 Potential matrix (530.11165s) stopped
T25 >> 1462737187.87775898 DistributedAtomicCorrection (219.67746s) started
T25 << 1462737188.87617111 DistributedAtomicCorrection (220.67587s) stopped
T25 >> 1462737188.87627411 Distribute overlap matrix (1199.35039s) started
T25 >> 1462737188.87630010 blocked summation (1172.46132s) started
T25 << 1462737194.21094704 blocked summation (1177.79597s) stopped
T25 >> 1462737194.22079706 Scalapack redistribute (24.77624s) started
T25 << 1462737194.32803702 Scalapack redistribute (24.88348s) stopped
T25 << 1462737194.32813811 Distribute overlap matrix (1204.80226s) stopped
T25 >> 1462737194.33359790 Blacs Orbital Layouts (12593.38444s) started
T25 >> 1462737194.34165192 General diagonalize (12539.65347s) started
T25 << 1462737251.07843709 General diagonalize (12596.39026s) stopped
T25 >> 1462737251.07848501 Redistribute coefs (4.21118s) started
T25 << 1462737251.09560108 Redistribute coefs (4.22830s) stopped
T25 >> 1462737251.09564495 Send coefs to domains (47.54654s) started
T25 << 1462737251.55356908 Send coefs to domains (48.00447s) stopped
T25 << 1462737251.55424690 Blacs Orbital Layouts (12650.60509s) stopped
T25 >> 1462737251.55428004 Calculate projections (1092.13088s) started
T25 << 1462737256.39889598 Calculate projections (1096.97550s) stopped
T25 << 1462737256.39930511 LCAO eigensolver (15704.45784s) stopped
T25 << 1462737258.06834793 SCF-cycle (36154.90658s) stopped
T25 >> 1462737260.89695692 Force calculation (1820.68646s) started
T25 >> 1462737260.89704108 LCAO forces (1634.42769s) started
T25 >> 1462737260.89740705 Initial (0.00048s) started
T25 << 1462737260.89741802 Initial (0.00049s) stopped
T25 >> 1462737260.90347409 Get density matrix (763.68626s) started
T25 << 1462737270.20918012 Get density matrix (772.99197s) stopped
T25 >> 1462737270.20922899 Potential (260.11825s) started
T25 << 1462737282.54969406 Potential (272.45872s) stopped
T25 >> 1462737282.54974794 Get density matrix (772.99201s) started
T25 << 1462737309.48296189 Get density matrix (799.92522s) stopped
T25 >> 1462737309.48302507 Prepare TCI loop (51.01546s) started
T25 >> 1462737309.48355007 Get neighbors (46.20542s) started
T25 << 1462737311.69825196 Get neighbors (48.42012s) stopped
T25 >> 1462737311.69944310 broadcast dH (4.78540s) started
T25 << 1462737311.90949512 broadcast dH (4.99545s) stopped
T25 << 1462737311.90954089 Prepare TCI loop (53.44197s) stopped
T25 >> 1462737311.90955901 Not so complicated loop (218.82206s) started
T25 << 1462737322.34204102 Not so complicated loop (229.25454s) stopped
T25 >> 1462737322.45893502 Complicated loop (338.11817s) started
T25 << 1462737338.65145206 Complicated loop (354.31069s) stopped
T25 >> 1462737338.65556908 Wait for sum (0.00215s) started
T25 << 1462737338.65565395 Wait for sum (0.00224s) stopped
T25 << 1462737338.65566802 LCAO forces (1712.18632s) stopped
T25 << 1462737348.04592609 Force calculation (1907.83543s) stopped
T25 >> 1462737348.06636405 Initialization (2712.82150s) started
T25 << 1462737348.06657910 Initialization (2712.82171s) stopped
T25 >> 1462737348.06684494 Initialization (2712.82173s) started
T25 << 1462737348.06700110 Initialization (2712.82189s) stopped
T25 >> 1462737348.06715894 Initialization (2712.82190s) started
T25 << 1462737348.06731105 Initialization (2712.82205s) stopped
T25 >> 1462737371.39043403 Initialization (2712.82207s) started
T25 >> 1462737371.59601688 Basic WFS set positions (2.78796s) started
T25 >> 1462737371.59604502 Redistribute (0.27876s) started
T25 << 1462737371.59617710 Redistribute (0.27889s) stopped
T25 << 1462737371.73644900 Basic WFS set positions (2.92839s) stopped
T25 >> 1462737371.73648810 Basis functions set positions (43.27459s) started
T25 << 1462737373.85664296 Basis functions set positions (45.39474s) stopped
T25 >> 1462737373.86231804 TCI: Calculate S, T, P (534.58698s) started
T25 << 1462737400.01881194 TCI: Calculate S, T, P (560.74348s) stopped
T25 >> 1462737400.01891708 blocked summation (485.70791s) started
T25 << 1462737429.87078309 blocked summation (515.55978s) stopped
T25 >> 1462737429.88478899 Scalapack redistribute (5.85205s) started
T25 << 1462737430.01043510 Scalapack redistribute (5.97770s) stopped
T25 >> 1462737430.01147795 blocked summation (515.55981s) started
T25 << 1462737431.17973304 blocked summation (516.72807s) stopped
T25 >> 1462737431.18918395 Scalapack redistribute (5.97777s) started
T25 << 1462737431.36672807 Scalapack redistribute (6.15531s) stopped
T25 >> 1462737431.36937690 Redistribute (0.77532s) started
T25 << 1462737431.37056398 Redistribute (0.77651s) stopped
T25 >> 1462737433.55781388 Redistribute (0.77653s) started
T25 << 1462737433.55921412 Redistribute (0.77793s) stopped
T25 >> 1462737433.58329511 LCAO WFS Initialize (1584.80116s) started
T25 >> 1462737433.58332205 Density initialize from wavefunctions (310.80075s) started
T25 >> 1462737433.58682489 Calculate density matrix (212.04250s) started
T25 << 1462737443.53873301 Calculate density matrix (221.99441s) stopped
T25 >> 1462737443.53878903 Construct density (34.33389s) started
T25 << 1462737445.18354297 Construct density (35.97864s) stopped
T25 >> 1462737445.19677806 Symmetrize density (0.00164s) started
T25 << 1462737445.19683504 Symmetrize density (0.00170s) stopped
T25 << 1462737448.22093201 Density initialize from wavefunctions (325.43836s) stopped
T25 >> 1462737448.22165990 Hamiltonian (1272.96935s) started
T25 >> 1462737448.22168493 vbar (0.55061s) started
T25 << 1462737448.24691796 vbar (0.57585s) stopped
T25 >> 1462737448.24706888 XC 3D grid (656.83873s) started
T25 >> 1462737448.76131606 van der Waals (635.06782s) started
T25 >> 1462737448.89586091 semilocal (143.60806s) started
T25 << 1462737455.51974201 semilocal (150.23194s) stopped
T25 >> 1462737455.58471489 redistribute (66.13618s) started
T25 << 1462737456.63023305 redistribute (67.18170s) stopped
T25 >> 1462737456.63032603 libvdwxc nonlocal (420.86558s) started
T25 << 1462737475.48075390 libvdwxc nonlocal (439.71601s) stopped
T25 >> 1462737475.48081899 redistribute (67.18173s) started
T25 << 1462737478.19841099 redistribute (69.89933s) stopped
T25 << 1462737478.20091105 van der Waals (664.50742s) stopped
T25 << 1462737478.68837190 XC 3D grid (687.28004s) stopped
T25 >> 1462737478.68841505 Poisson (334.53110s) started
T25 << 1462737491.51181102 Poisson (347.35450s) stopped
T25 >> 1462737491.51187897 Hartree integrate/restrict (8.59855s) started
T25 << 1462737491.56073189 Hartree integrate/restrict (8.64740s) stopped
T25 >> 1462737491.56078792 Hartree integrate/restrict (8.64744s) started
T25 << 1462737491.89508700 Hartree integrate/restrict (8.98174s) stopped
T25 >> 1462737491.95096207 Atomic (248.51716s) started
T25 >> 1462737491.97071409 XC Correction (188.02966s) started
T25 << 1462737502.06169391 XC Correction (198.12064s) stopped
T25 << 1462737505.99201488 Atomic (262.55821s) stopped
T25 >> 1462737505.99240088 Communicate (22.55496s) started
T25 << 1462737505.99257302 Communicate (22.55513s) stopped
T25 << 1462737505.99259591 Hamiltonian (1330.74029s) stopped
T25 << 1462737505.99265909 LCAO WFS Initialize (1657.21052s) stopped
T25 << 1462737506.00493312 Initialization (2847.43657s) stopped
T25 >> 1462737506.03468609 SCF-cycle (36154.90660s) started
T25 >> 1462737506.03473997 LCAO eigensolver (15704.45786s) started
T25 >> 1462737506.03475308 Potential matrix (530.11170s) started
T25 << 1462737508.43940496 Potential matrix (532.51636s) stopped
T25 >> 1462737508.43950391 DistributedAtomicCorrection (220.67591s) started
T25 << 1462737509.47073102 DistributedAtomicCorrection (221.70714s) stopped
T25 >> 1462737509.47078109 Distribute overlap matrix (1204.80227s) started
T25 >> 1462737509.47082090 blocked summation (1177.79600s) started
T25 << 1462737515.18809295 blocked summation (1183.51327s) stopped
T25 >> 1462737515.19835997 Scalapack redistribute (24.88354s) started
T25 << 1462737515.29814005 Scalapack redistribute (24.98332s) stopped
T25 << 1462737515.29823303 Distribute overlap matrix (1210.62972s) stopped
T25 >> 1462737515.30337405 Blacs Orbital Layouts (12650.60511s) started
T25 >> 1462737515.31167793 General diagonalize (12596.39030s) started
T25 << 1462737573.12585998 General diagonalize (12654.20448s) stopped
T25 >> 1462737573.12590909 Redistribute coefs (4.22834s) started
T25 << 1462737573.14530396 Redistribute coefs (4.24773s) stopped
T25 >> 1462737573.14534593 Send coefs to domains (48.00450s) started
T25 << 1462737573.24334192 Send coefs to domains (48.10250s) stopped
T25 << 1462737573.24372697 Blacs Orbital Layouts (12708.54547s) stopped
T25 >> 1462737573.24375510 Calculate projections (1096.97555s) started
T25 << 1462737578.09384990 Calculate projections (1101.82565s) stopped
T25 << 1462737578.09426403 LCAO eigensolver (15776.51738s) stopped
T25 >> 1462737579.27098203 Density (3477.04673s) started
T25 >> 1462737579.27099705 Pseudo density (2840.41969s) started
T25 >> 1462737579.27219200 Calculate density matrix (2503.07515s) started
T25 << 1462737592.24621701 Calculate density matrix (2516.04917s) stopped
T25 >> 1462737592.24627590 Construct density (328.48262s) started
T25 << 1462737593.88834596 Construct density (330.12469s) stopped
T25 >> 1462737593.90135407 Symmetrize density (0.01589s) started
T25 << 1462737593.90141606 Symmetrize density (0.01595s) stopped
T25 << 1462737593.90347600 Pseudo density (2855.05217s) stopped
T25 >> 1462737593.90352988 Atomic density matrices (529.40686s) started
T25 << 1462737596.59186912 Atomic density matrices (532.09520s) stopped
T25 >> 1462737596.59191990 Multipole moments (1.85228s) started
T25 << 1462737596.60296798 Multipole moments (1.86333s) stopped
T25 >> 1462737596.60302997 Normalize (1.71423s) started
T25 << 1462737596.60970592 Normalize (1.72090s) stopped
T25 >> 1462737596.60982108 Mix (103.63106s) started
T25 << 1462737597.10857511 Mix (104.12982s) stopped
T25 << 1462737597.10868597 Density (3494.88444s) stopped
T25 >> 1462737597.10888600 Hamiltonian (16685.92998s) started
T25 >> 1462737597.10890794 vbar (5.68004s) started
T25 << 1462737597.13461900 vbar (5.70575s) stopped
T25 >> 1462737597.13472104 XC 3D grid (12524.18422s) started
T25 >> 1462737597.63837409 van der Waals (12323.99356s) started
T25 >> 1462737597.77218509 semilocal (6321.30555s) started
T25 << 1462737604.19441795 semilocal (6327.72778s) stopped
T25 >> 1462737604.28072906 redistribute (2118.83295s) started
T25 << 1462737605.69726300 redistribute (2120.24948s) stopped
T25 >> 1462737605.69730806 libvdwxc nonlocal (3841.51966s) started
T25 << 1462737624.95058107 libvdwxc nonlocal (3860.77293s) stopped
T25 >> 1462737624.95065093 redistribute (2120.24951s) started
T25 << 1462737626.61189890 redistribute (2121.91076s) stopped
T25 << 1462737626.61392689 van der Waals (12352.96912s) stopped
T25 << 1462737627.09621096 XC 3D grid (12554.14571s) stopped
T25 >> 1462737627.09625697 Poisson (1751.66423s) started
T25 << 1462737635.30808997 Poisson (1759.87606s) stopped
T25 >> 1462737635.30816007 Hartree integrate/restrict (78.13892s) started
T25 << 1462737635.36378193 Hartree integrate/restrict (78.19455s) stopped
T25 >> 1462737635.36385107 Hartree integrate/restrict (78.19459s) started
T25 << 1462737635.69190788 Hartree integrate/restrict (78.52265s) stopped
T25 >> 1462737635.75474596 Atomic (1957.38521s) started
T25 >> 1462737635.77381897 XC Correction (1528.56355s) started
T25 << 1462737645.71821499 XC Correction (1538.50794s) stopped
T25 << 1462737649.80082393 Atomic (1971.43129s) stopped
T25 >> 1462737649.80113506 Communicate (357.43528s) started
T25 << 1462737649.80130911 Communicate (357.43545s) stopped
T25 << 1462737649.80133200 Hamiltonian (16738.62242s) stopped
T25 >> 1462737649.80142999 LCAO eigensolver (15776.51740s) started
T25 >> 1462737649.80144501 Potential matrix (532.51641s) started
T25 << 1462737652.22230601 Potential matrix (534.93727s) stopped
T25 >> 1462737652.22238708 DistributedAtomicCorrection (221.70718s) started
T25 << 1462737653.28485489 DistributedAtomicCorrection (222.76965s) stopped
T25 >> 1462737653.28495407 Distribute overlap matrix (1210.62974s) started
T25 >> 1462737653.28497791 blocked summation (1183.51331s) started
T25 << 1462737658.90936899 blocked summation (1189.13770s) stopped
T25 >> 1462737658.91874504 Scalapack redistribute (24.98339s) started
T25 << 1462737659.02417994 Scalapack redistribute (25.08882s) stopped
T25 << 1462737659.02426004 Distribute overlap matrix (1216.36904s) stopped
T25 >> 1462737659.02838492 Blacs Orbital Layouts (12708.54549s) started
T25 >> 1462737659.03626990 General diagonalize (12654.20452s) started
T25 << 1462737717.45755196 General diagonalize (12712.62580s) stopped
T25 >> 1462737717.45760298 Redistribute coefs (4.24776s) started
T25 << 1462737717.48179197 Redistribute coefs (4.27195s) stopped
T25 >> 1462737717.48183107 Send coefs to domains (48.10254s) started
T25 << 1462737717.91272712 Send coefs to domains (48.53343s) stopped
T25 << 1462737717.91341805 Blacs Orbital Layouts (12767.43052s) stopped
T25 >> 1462737717.91344690 Calculate projections (1101.82570s) started
T25 << 1462737722.82095909 Calculate projections (1106.73321s) stopped
T25 << 1462737722.82138205 LCAO eigensolver (15849.53735s) stopped
T25 >> 1462737723.91705799 Density (3494.88446s) started
T25 >> 1462737723.91707301 Pseudo density (2855.05221s) started
T25 >> 1462737723.91856503 Calculate density matrix (2516.04921s) started
T25 << 1462737736.85398412 Calculate density matrix (2528.98463s) stopped
T25 >> 1462737736.85404205 Construct density (330.12474s) started
T25 << 1462737738.50271392 Construct density (331.77342s) stopped
T25 >> 1462737738.51794410 Symmetrize density (0.01596s) started
T25 << 1462737738.51801300 Symmetrize density (0.01603s) stopped
T25 << 1462737738.52034092 Pseudo density (2869.65548s) stopped
T25 >> 1462737738.52040100 Atomic density matrices (532.09523s) started
T25 << 1462737741.19333100 Atomic density matrices (534.76816s) stopped
T25 >> 1462737741.19338202 Multipole moments (1.86335s) started
T25 << 1462737741.20129395 Multipole moments (1.87126s) stopped
T25 >> 1462737741.20135593 Normalize (1.72099s) started
T25 << 1462737741.20904493 Normalize (1.72868s) stopped
T25 >> 1462737741.20909190 Mix (104.12992s) started
T25 << 1462737741.68804693 Mix (104.60888s) stopped
T25 << 1462737741.68812704 Density (3512.65552s) stopped
T25 >> 1462737741.68828201 Hamiltonian (16738.62244s) started
T25 >> 1462737741.68829989 vbar (5.70580s) started
T25 << 1462737741.71510506 vbar (5.73261s) stopped
T25 >> 1462737741.71524906 XC 3D grid (12554.14575s) started
T25 >> 1462737742.20926690 van der Waals (12352.96917s) started
T25 >> 1462737742.33956099 semilocal (6327.72790s) started
T25 << 1462737748.98702407 semilocal (6334.37536s) stopped
T25 >> 1462737749.06025505 redistribute (2121.91085s) started
T25 << 1462737750.19518995 redistribute (2123.04579s) stopped
T25 >> 1462737750.19523311 libvdwxc nonlocal (3860.77298s) started
T25 << 1462737768.79615998 libvdwxc nonlocal (3879.37391s) stopped
T25 >> 1462737768.79621601 redistribute (2123.04582s) started
T25 << 1462737770.62640500 redistribute (2124.87601s) stopped
T25 << 1462737770.62859011 van der Waals (12381.38849s) stopped
T25 << 1462737771.10736394 XC 3D grid (12583.53786s) stopped
T25 >> 1462737771.10741711 Poisson (1759.87611s) started
T25 << 1462737778.22856903 Poisson (1766.99726s) stopped
T25 >> 1462737778.22868109 Hartree integrate/restrict (78.52269s) started
T25 << 1462737778.27120805 Hartree integrate/restrict (78.56522s) stopped
T25 >> 1462737778.27133608 Hartree integrate/restrict (78.56531s) started
T25 << 1462737778.60277200 Hartree integrate/restrict (78.89675s) stopped
T25 >> 1462737778.65847397 Atomic (1971.43131s) started
T25 >> 1462737778.67757797 XC Correction (1538.50797s) started
T25 << 1462737788.36221600 XC Correction (1548.19261s) stopped
T25 << 1462737791.86090708 Atomic (1984.63374s) stopped
T25 >> 1462737791.86115098 Communicate (357.43547s) started
T25 << 1462737792.09983611 Communicate (357.67415s) stopped
T25 << 1462737792.09985995 Hamiltonian (16789.03402s) stopped
T25 >> 1462737792.09995294 LCAO eigensolver (15849.53737s) started
T25 >> 1462737792.09996796 Potential matrix (534.93732s) started
T25 << 1462737794.51385093 Potential matrix (537.35120s) stopped
T25 >> 1462737794.51395106 DistributedAtomicCorrection (222.76968s) started
T25 << 1462737795.49336791 DistributedAtomicCorrection (223.74910s) stopped
T25 >> 1462737795.49341893 Distribute overlap matrix (1216.36905s) started
T25 >> 1462737795.49349189 blocked summation (1189.13773s) started
T25 << 1462737801.24975204 blocked summation (1194.89399s) stopped
T25 >> 1462737801.25965190 Scalapack redistribute (25.08888s) started
T25 << 1462737801.36179304 Scalapack redistribute (25.19102s) stopped
T25 << 1462737801.36189389 Distribute overlap matrix (1222.23753s) stopped
T25 >> 1462737801.36752510 Blacs Orbital Layouts (12767.43054s) started
T25 >> 1462737801.37563491 General diagonalize (12712.62584s) started
T25 << 1462737859.49125004 General diagonalize (12770.74146s) stopped
T25 >> 1462737859.49130607 Redistribute coefs (4.27198s) started
T25 << 1462737859.51871204 Redistribute coefs (4.29939s) stopped
T25 >> 1462737859.51875091 Send coefs to domains (48.53347s) started
T25 << 1462737859.79749107 Send coefs to domains (48.81221s) stopped
T25 << 1462737859.79798198 Blacs Orbital Layouts (12825.86100s) stopped
T25 >> 1462737859.79801393 Calculate projections (1106.73327s) started
T25 << 1462737864.69983792 Calculate projections (1111.63509s) stopped
T25 << 1462737864.70017409 LCAO eigensolver (15922.13759s) stopped
T25 >> 1462737866.08039093 Density (3512.65554s) started
T25 >> 1462737866.08040595 Pseudo density (2869.65553s) started
T25 >> 1462737866.08239603 Calculate density matrix (2528.98467s) started
T25 << 1462737878.89144611 Calculate density matrix (2541.79372s) stopped
T25 >> 1462737878.89150000 Construct density (331.77347s) started
T25 << 1462737880.53228807 Construct density (333.41426s) stopped
T25 >> 1462737880.54947901 Symmetrize density (0.01605s) started
T25 << 1462737880.54954100 Symmetrize density (0.01611s) stopped
T25 << 1462737880.55187607 Pseudo density (2884.12700s) stopped
T25 >> 1462737880.55193710 Atomic density matrices (534.76818s) started
T25 << 1462737883.23496604 Atomic density matrices (537.45121s) stopped
T25 >> 1462737883.23502111 Multipole moments (1.87128s) started
T25 << 1462737883.24473190 Multipole moments (1.88099s) stopped
T25 >> 1462737883.24479198 Normalize (1.72871s) started
T25 << 1462737883.25246906 Normalize (1.73639s) stopped
T25 >> 1462737883.25251102 Mix (104.60895s) started
T25 << 1462737883.71388507 Mix (105.07033s) stopped
T25 << 1462737883.71397305 Density (3530.28912s) stopped
T25 >> 1462737883.71413398 Hamiltonian (16789.03403s) started
T25 >> 1462737883.71415496 vbar (5.73269s) started
T25 << 1462737883.74591208 vbar (5.76445s) stopped
T25 >> 1462737883.74605703 XC 3D grid (12583.53790s) started
T25 >> 1462737884.23887801 van der Waals (12381.38859s) started
T25 >> 1462737884.36928701 semilocal (6334.37543s) started
T25 << 1462737891.09676290 semilocal (6341.10291s) stopped
T25 >> 1462737891.16350293 redistribute (2124.87609s) started
T25 << 1462737892.28508210 redistribute (2125.99767s) stopped
T25 >> 1462737892.28512406 libvdwxc nonlocal (3879.37395s) started
T25 << 1462737911.10400105 libvdwxc nonlocal (3898.19283s) stopped
T25 >> 1462737911.10407090 redistribute (2125.99770s) started
T25 << 1462737913.03257108 redistribute (2127.92620s) stopped
T25 << 1462737913.03456998 van der Waals (12410.18428s) stopped
T25 << 1462737913.51214409 XC 3D grid (12613.30399s) stopped
T25 >> 1462737913.51219106 Poisson (1766.99735s) started
T25 << 1462737923.54760909 Poisson (1777.03277s) stopped
T25 >> 1462737923.54775691 Hartree integrate/restrict (78.89681s) started
T25 << 1462737923.58655190 Hartree integrate/restrict (78.93560s) stopped
T25 >> 1462737923.58672690 Hartree integrate/restrict (78.93573s) started
T25 << 1462737923.93444490 Hartree integrate/restrict (79.28345s) stopped
T25 >> 1462737923.99312210 Atomic (1984.63376s) started
T25 >> 1462737924.01183200 XC Correction (1548.19263s) started
T25 << 1462737933.14968896 XC Correction (1557.33049s) stopped
T25 << 1462737936.34310508 Atomic (1996.98375s) stopped
T25 >> 1462737936.34341908 Communicate (357.67417s) started
T25 << 1462737937.47868800 Communicate (358.80944s) stopped
T25 << 1462737937.47871494 Hamiltonian (16842.79861s) stopped
T25 >> 1462737937.47882390 LCAO eigensolver (15922.13761s) started
T25 >> 1462737937.47884011 Potential matrix (537.35126s) started
T25 << 1462737939.89247203 Potential matrix (539.76489s) stopped
T25 >> 1462737939.89257002 DistributedAtomicCorrection (223.74914s) started
T25 << 1462737940.89757109 DistributedAtomicCorrection (224.75414s) stopped
T25 >> 1462737940.89767098 Distribute overlap matrix (1222.23754s) started
T25 >> 1462737940.89769793 blocked summation (1194.89402s) started
T25 << 1462737946.52665710 blocked summation (1200.52298s) stopped
T25 >> 1462737946.53628206 Scalapack redistribute (25.19110s) started
T25 << 1462737946.63445592 Scalapack redistribute (25.28927s) stopped
T25 << 1462737946.63455701 Distribute overlap matrix (1227.97443s) stopped
T25 >> 1462737946.63975000 Blacs Orbital Layouts (12825.86102s) started
T25 >> 1462737946.64862204 General diagonalize (12770.74150s) started
T25 << 1462738002.58085990 General diagonalize (12826.67374s) stopped
T25 >> 1462738002.58093095 Redistribute coefs (4.29942s) started
T25 << 1462738002.59740996 Redistribute coefs (4.31590s) stopped
T25 >> 1462738002.59745193 Send coefs to domains (48.81224s) started
T25 << 1462738003.05281210 Send coefs to domains (49.26760s) stopped
T25 << 1462738003.05328393 Blacs Orbital Layouts (12882.27455s) stopped
T25 >> 1462738003.05331302 Calculate projections (1111.63515s) started
T25 << 1462738007.95824695 Calculate projections (1116.54008s) stopped
T25 << 1462738007.95858192 LCAO eigensolver (15992.61737s) stopped
T25 >> 1462738009.08120394 Density (3530.28914s) started
T25 >> 1462738009.08121896 Pseudo density (2884.12705s) started
T25 >> 1462738009.08271599 Calculate density matrix (2541.79375s) started
T25 << 1462738021.98134708 Calculate density matrix (2554.69238s) stopped
T25 >> 1462738021.98140097 Construct density (333.41432s) started
T25 << 1462738023.62574792 Construct density (335.05866s) stopped
T25 >> 1462738023.66225696 Symmetrize density (0.01613s) started
T25 << 1462738023.66231990 Symmetrize density (0.01619s) stopped
T25 << 1462738023.66468191 Pseudo density (2898.71051s) stopped
T25 >> 1462738023.66474199 Atomic density matrices (537.45123s) started
T25 << 1462738026.31679702 Atomic density matrices (540.10329s) stopped
T25 >> 1462738026.31684899 Multipole moments (1.88100s) started
T25 << 1462738026.32863307 Multipole moments (1.89279s) stopped
T25 >> 1462738026.32869506 Normalize (1.73642s) started
T25 << 1462738026.33553696 Normalize (1.74326s) stopped
T25 >> 1462738026.33560896 Mix (105.07041s) started
T25 << 1462738026.85970592 Mix (105.59451s) stopped
T25 << 1462738026.85978007 Density (3548.06771s) stopped
T25 >> 1462738026.85990310 Hamiltonian (16842.79862s) started
T25 >> 1462738026.85991907 vbar (5.76453s) started
T25 << 1462738026.88600707 vbar (5.79061s) stopped
T25 >> 1462738026.88609290 XC 3D grid (12613.30403s) started
T25 >> 1462738027.42657709 van der Waals (12410.18439s) started
T25 >> 1462738027.55942988 semilocal (6341.10301s) started
T25 << 1462738107.65986490 semilocal (6421.20344s) stopped
T25 >> 1462738107.73341608 redistribute (2127.92632s) started
T25 << 1462738109.15365291 redistribute (2129.34656s) stopped
T25 >> 1462738109.15369511 libvdwxc nonlocal (3898.19288s) started
T25 << 1462738128.05786109 libvdwxc nonlocal (3917.09705s) stopped
T25 >> 1462738128.05791497 redistribute (2129.34659s) started
T25 << 1462738129.97852993 redistribute (2131.26721s) stopped
T25 << 1462738129.98066401 van der Waals (12512.73847s) stopped
T25 << 1462738130.47099209 XC 3D grid (12716.88892s) stopped
T25 >> 1462738130.47103405 Poisson (1777.03290s) started
T25 << 1462738137.86494088 Poisson (1784.42681s) stopped
T25 >> 1462738137.86501694 Hartree integrate/restrict (79.28350s) started
T25 << 1462738137.90699697 Hartree integrate/restrict (79.32548s) stopped
T25 >> 1462738137.90706611 Hartree integrate/restrict (79.32553s) started
T25 << 1462738138.25075412 Hartree integrate/restrict (79.66921s) stopped
T25 >> 1462738138.30915689 Atomic (1996.98377s) started
T25 >> 1462738138.32832789 XC Correction (1557.33052s) started
T25 << 1462738147.61561489 XC Correction (1566.61780s) stopped
T25 << 1462738150.35226107 Atomic (2009.02688s) stopped
T25 >> 1462738150.35256696 Communicate (358.80946s) started
T25 << 1462738151.77604604 Communicate (360.23293s) stopped
T25 << 1462738151.77607489 Hamiltonian (16967.71479s) stopped
T25 >> 1462738151.77621508 LCAO eigensolver (15992.61739s) started
T25 >> 1462738151.77623105 Potential matrix (539.76495s) started
T25 << 1462738154.18516493 Potential matrix (542.17388s) stopped
T25 >> 1462738154.18526506 DistributedAtomicCorrection (224.75419s) started
T25 << 1462738155.21918511 DistributedAtomicCorrection (225.78811s) stopped
T25 >> 1462738155.21929002 Distribute overlap matrix (1227.97444s) started
T25 >> 1462738155.21934605 blocked summation (1200.52301s) started
T25 << 1462738160.56929898 blocked summation (1205.87297s) stopped
T25 >> 1462738160.57794905 Scalapack redistribute (25.28933s) started
T25 << 1462738160.68924499 Scalapack redistribute (25.40063s) stopped
T25 << 1462738160.68935299 Distribute overlap matrix (1233.44450s) stopped
T25 >> 1462738160.69567490 Blacs Orbital Layouts (12882.27457s) started
T25 >> 1462738160.70386910 General diagonalize (12826.67380s) started
T25 << 1462738219.94087791 General diagonalize (12885.91081s) stopped
T25 >> 1462738219.94095206 Redistribute coefs (4.31593s) started
T25 << 1462738219.95714998 Redistribute coefs (4.33213s) stopped
T25 >> 1462738219.95719910 Send coefs to domains (49.26764s) started
T25 << 1462738220.05931807 Send coefs to domains (49.36976s) stopped
T25 << 1462738220.05995202 Blacs Orbital Layouts (12941.63885s) stopped
T25 >> 1462738220.05998206 Calculate projections (1116.54014s) started
T25 << 1462738224.96273708 Calculate projections (1121.44290s) stopped
T25 << 1462738224.96292210 LCAO eigensolver (16065.80409s) stopped
T25 >> 1462738226.05840302 Density (3548.06772s) started
T25 >> 1462738226.05841804 Pseudo density (2898.71056s) started
T25 >> 1462738226.06024790 Calculate density matrix (2554.69242s) started
T25 << 1462738239.00049710 Calculate density matrix (2567.63267s) stopped
T25 >> 1462738239.00055194 Construct density (335.05872s) started
T25 << 1462738240.64891005 Construct density (336.70708s) stopped
T25 >> 1462738240.66369009 Symmetrize density (0.01621s) started
T25 << 1462738240.66375303 Symmetrize density (0.01627s) stopped
T25 << 1462738240.66610003 Pseudo density (2913.31824s) stopped
T25 >> 1462738240.66616201 Atomic density matrices (540.10331s) started
T25 << 1462738243.34367990 Atomic density matrices (542.78083s) stopped
T25 >> 1462738243.34373093 Multipole moments (1.89281s) started
T25 << 1462738243.35302591 Multipole moments (1.90210s) stopped
T25 >> 1462738243.35308599 Normalize (1.74331s) started
T25 << 1462738243.36074495 Normalize (1.75097s) stopped
T25 >> 1462738243.36078596 Mix (105.59458s) started
T25 << 1462738243.87174606 Mix (106.10554s) stopped
T25 << 1462738243.87182999 Density (3565.88115s) stopped
T25 >> 1462738243.87199712 Hamiltonian (16967.71481s) started
T25 >> 1462738243.87201595 vbar (5.79066s) started
T25 << 1462738243.90067601 vbar (5.81932s) stopped
T25 >> 1462738243.90081501 XC 3D grid (12716.88896s) started
T25 >> 1462738244.39146495 van der Waals (12512.73852s) started
T25 >> 1462738244.52004695 semilocal (6421.20353s) started
T25 << 1462738712.62897897 semilocal (6889.31246s) stopped
T25 >> 1462738712.70223904 redistribute (2131.26727s) started
T25 << 1462738714.25212789 redistribute (2132.81715s) stopped
T25 >> 1462738714.25217009 libvdwxc nonlocal (3917.09709s) started
T25 << 1462738733.16762209 libvdwxc nonlocal (3936.01254s) stopped
T25 >> 1462738733.16768003 redistribute (2132.81719s) started
T25 << 1462738735.10029507 redistribute (2134.74980s) stopped
T25 << 1462738735.10273290 van der Waals (13003.44979s) stopped
T25 << 1462738735.58512807 XC 3D grid (13208.57327s) stopped
T25 >> 1462738735.58517504 Poisson (1784.42686s) started
T25 << 1462738741.35997605 Poisson (1790.20166s) stopped
T25 >> 1462738741.36005306 Hartree integrate/restrict (79.66925s) started
T25 << 1462738741.39932299 Hartree integrate/restrict (79.70852s) stopped
T25 >> 1462738741.39939690 Hartree integrate/restrict (79.70856s) started
T25 << 1462738741.74748397 Hartree integrate/restrict (80.05665s) stopped
T25 >> 1462738741.80609608 Atomic (2009.02690s) started
T25 >> 1462738741.82520390 XC Correction (1566.61784s) started
T25 << 1462738751.02510810 XC Correction (1575.81774s) stopped
T25 << 1462738753.77122402 Atomic (2020.99203s) stopped
T25 >> 1462738753.77152801 Communicate (360.23295s) started
T25 << 1462738755.33596110 Communicate (361.79738s) stopped
T25 << 1462738755.33598709 Hamiltonian (17479.17880s) stopped
T25 >> 1462738755.33610892 LCAO eigensolver (16065.80411s) started
T25 >> 1462738755.33612490 Potential matrix (542.17394s) started
T25 << 1462738757.75567198 Potential matrix (544.59349s) stopped
T25 >> 1462738757.75577092 DistributedAtomicCorrection (225.78815s) started
T25 << 1462738758.73471594 DistributedAtomicCorrection (226.76709s) stopped
T25 >> 1462738758.73481607 Distribute overlap matrix (1233.44452s) started
T25 >> 1462738758.73484206 blocked summation (1205.87300s) started
T25 << 1462738764.14447403 blocked summation (1211.28263s) stopped
T25 >> 1462738764.15360093 Scalapack redistribute (25.40070s) started
T25 << 1462738764.25372696 Scalapack redistribute (25.50082s) stopped
T25 << 1462738764.25383306 Distribute overlap matrix (1238.96353s) stopped
T25 >> 1462738764.25882602 Blacs Orbital Layouts (12941.63887s) started
T25 >> 1462738764.26788807 General diagonalize (12885.91087s) started
T25 << 1462738822.87591290 General diagonalize (12944.51889s) stopped
T25 >> 1462738822.87596011 Redistribute coefs (4.33217s) started
T25 << 1462738822.89153409 Redistribute coefs (4.34774s) stopped
T25 >> 1462738822.89157796 Send coefs to domains (49.36979s) started
T25 << 1462738823.08081007 Send coefs to domains (49.55902s) stopped
T25 << 1462738823.08132601 Blacs Orbital Layouts (13000.46137s) stopped
T25 >> 1462738823.08135796 Calculate projections (1121.44295s) started
T25 << 1462738827.98764300 Calculate projections (1126.34924s) stopped
T25 << 1462738827.98782802 LCAO eigensolver (16138.45583s) stopped
T25 >> 1462738829.11404800 Density (3565.88117s) started
T25 >> 1462738829.11406207 Pseudo density (2913.31829s) started
T25 >> 1462738829.11566091 Calculate density matrix (2567.63270s) started
T25 << 1462738842.01908112 Calculate density matrix (2580.53612s) stopped
T25 >> 1462738842.01913595 Construct density (336.70714s) started
T25 << 1462738843.67060208 Construct density (338.35860s) stopped
T25 >> 1462738843.68536592 Symmetrize density (0.01629s) started
T25 << 1462738843.68543005 Symmetrize density (0.01636s) stopped
T25 << 1462738843.68779111 Pseudo density (2927.89202s) stopped
T25 >> 1462738843.68785000 Atomic density matrices (542.78086s) started
T25 << 1462738846.36096406 Atomic density matrices (545.45397s) stopped
T25 >> 1462738846.36102009 Multipole moments (1.90212s) started
T25 << 1462738846.37218499 Multipole moments (1.91328s) stopped
T25 >> 1462738846.37224507 Normalize (1.75100s) started
T25 << 1462738846.37907410 Normalize (1.75783s) stopped
T25 >> 1462738846.37915897 Mix (106.10562s) started
T25 << 1462738846.88325310 Mix (106.60972s) stopped
T25 << 1462738846.88333011 Density (3583.65045s) stopped
T25 >> 1462738846.88349295 Hamiltonian (17479.17882s) started
T25 >> 1462738846.88351107 vbar (5.81940s) started
T25 << 1462738846.91860008 vbar (5.85449s) stopped
T25 >> 1462738846.91876411 XC 3D grid (13208.57330s) started
T25 >> 1462738847.40607190 van der Waals (13003.44985s) started
T25 >> 1462738847.53913093 semilocal (6889.31255s) started
T25 << 1462739204.81605792 semilocal (7246.58947s) stopped
T25 >> 1462739204.88827205 redistribute (2134.74987s) started
T25 << 1462739206.15185595 redistribute (2136.01345s) stopped
T25 >> 1462739206.15190101 libvdwxc nonlocal (3936.01259s) started
T25 << 1462739225.01311803 libvdwxc nonlocal (3954.87380s) stopped
T25 >> 1462739225.01316404 redistribute (2136.01348s) started
T25 << 1462739226.91733599 redistribute (2137.91766s) stopped
T25 << 1462739226.91947603 van der Waals (13382.96325s) stopped
T25 << 1462739227.40748405 XC 3D grid (13589.06202s) stopped
T25 >> 1462739227.40752602 Poisson (1790.20172s) started
T25 << 1462739231.76401401 Poisson (1794.55821s) stopped
T25 >> 1462739231.76407909 Hartree integrate/restrict (80.05670s) started
T25 << 1462739231.80350995 Hartree integrate/restrict (80.09613s) stopped
T25 >> 1462739231.80358601 Hartree integrate/restrict (80.09618s) started
T25 << 1462739232.15505409 Hartree integrate/restrict (80.44764s) stopped
T25 >> 1462739232.20844007 Atomic (2020.99205s) started
T25 >> 1462739232.22747993 XC Correction (1575.81777s) started
T25 << 1462739241.49652600 XC Correction (1585.08682s) stopped
T25 << 1462739244.19867802 Atomic (2032.98229s) stopped
T25 >> 1462739244.19898510 Communicate (361.79740s) started
T25 << 1462739245.66116691 Communicate (363.25958s) stopped
T25 << 1462739245.66119289 Hamiltonian (17877.95652s) stopped
T25 >> 1462739245.66129398 LCAO eigensolver (16138.45585s) started
T25 >> 1462739245.66130900 Potential matrix (544.59354s) started
T25 << 1462739248.07514596 Potential matrix (547.00738s) stopped
T25 >> 1462739248.07524490 DistributedAtomicCorrection (226.76713s) started
T25 << 1462739249.07841897 DistributedAtomicCorrection (227.77031s) stopped
T25 >> 1462739249.07852101 Distribute overlap matrix (1238.96355s) started
T25 >> 1462739249.07854700 blocked summation (1211.28266s) started
T25 << 1462739254.47504306 blocked summation (1216.67916s) stopped
T25 >> 1462739254.48391294 Scalapack redistribute (25.50089s) started
T25 << 1462739254.60714793 Scalapack redistribute (25.62413s) stopped
T25 << 1462739254.60724401 Distribute overlap matrix (1244.49227s) stopped
T25 >> 1462739254.61275697 Blacs Orbital Layouts (13000.46139s) started
T25 >> 1462739254.62134695 General diagonalize (12944.51893s) started
T25 << 1462739315.78009796 General diagonalize (13005.67768s) stopped
T25 >> 1462739315.78014588 Redistribute coefs (4.34777s) started
T25 << 1462739315.80874991 Redistribute coefs (4.37638s) stopped
T25 >> 1462739315.80878806 Send coefs to domains (49.55906s) started
T25 << 1462739316.05840707 Send coefs to domains (49.80867s) stopped
T25 << 1462739316.05890203 Blacs Orbital Layouts (13061.90754s) stopped
T25 >> 1462739316.05893397 Calculate projections (1126.34929s) started
T25 << 1462739320.96519303 Calculate projections (1131.25555s) stopped
T25 << 1462739320.96537590 LCAO eigensolver (16213.75993s) stopped
T25 >> 1462739322.09133506 Density (3583.65046s) started
T25 >> 1462739322.09135008 Pseudo density (2927.89207s) started
T25 >> 1462739322.09323812 Calculate density matrix (2580.53616s) started
T25 << 1462739334.96920204 Calculate density matrix (2593.41212s) stopped
T25 >> 1462739334.96925497 Construct density (338.35866s) started
T25 << 1462739336.62139893 Construct density (340.01080s) stopped
T25 >> 1462739336.63634896 Symmetrize density (0.01637s) started
T25 << 1462739336.63641310 Symmetrize density (0.01644s) stopped
T25 << 1462739336.63877511 Pseudo density (2942.43950s) stopped
T25 >> 1462739336.63883495 Atomic density matrices (545.45400s) started
T25 << 1462739339.30451894 Atomic density matrices (548.11968s) stopped
T25 >> 1462739339.30456996 Multipole moments (1.91330s) started
T25 << 1462739339.31359601 Multipole moments (1.92233s) stopped
T25 >> 1462739339.31365705 Normalize (1.75790s) started
T25 << 1462739339.32121491 Normalize (1.76546s) stopped
T25 >> 1462739339.32125902 Mix (106.60979s) started
T25 << 1462739339.84951210 Mix (107.13804s) stopped
T25 << 1462739339.84958291 Density (3601.40871s) stopped
T25 >> 1462739339.84970403 Hamiltonian (17877.95653s) started
T25 >> 1462739339.84972000 vbar (5.85458s) started
T25 << 1462739339.86750793 vbar (5.87237s) stopped
T25 >> 1462739339.86759400 XC 3D grid (13589.06205s) started
T25 >> 1462739340.44120789 van der Waals (13382.96335s) started
T25 >> 1462739340.57533908 semilocal (7246.58958s) started
T25 << 1462739465.11183310 semilocal (7371.12607s) stopped
T25 >> 1462739465.17532301 redistribute (2137.91776s) started
T25 << 1462739568.02016497 redistribute (2240.76261s) stopped
T25 >> 1462739568.02020788 libvdwxc nonlocal (3954.87384s) started
T25 << 1462739588.21510100 libvdwxc nonlocal (3975.06873s) stopped
T25 >> 1462739588.21517301 redistribute (2240.76264s) started
T25 << 1462739589.87048101 redistribute (2242.41795s) stopped
T25 << 1462739589.87264490 van der Waals (13632.39478s) stopped
T25 << 1462739590.37915993 XC 3D grid (13839.57362s) stopped
T25 >> 1462739590.37920809 Poisson (1794.55825s) started
T25 << 1462739594.98979998 Poisson (1799.16884s) stopped
T25 >> 1462739594.98991609 Hartree integrate/restrict (80.44771s) started
T25 << 1462739595.05700898 Hartree integrate/restrict (80.51480s) stopped
T25 >> 1462739595.05706406 Hartree integrate/restrict (80.51484s) started
T25 << 1462739595.38145590 Hartree integrate/restrict (80.83923s) stopped
T25 >> 1462739595.44119501 Atomic (2032.98231s) started
T25 >> 1462739595.46003103 XC Correction (1585.08688s) started
T25 << 1462739604.72243500 XC Correction (1594.34928s) stopped
T25 << 1462739607.42669296 Atomic (2044.96781s) stopped
T25 >> 1462739607.42691803 Communicate (363.25960s) started
T25 << 1462739608.60467410 Communicate (364.43735s) stopped
T25 << 1462739608.60469794 Hamiltonian (18146.71152s) stopped
T25 >> 1462739608.60478592 LCAO eigensolver (16213.75995s) started
T25 >> 1462739608.60480094 Potential matrix (547.00743s) started
T25 << 1462739611.01128507 Potential matrix (549.41392s) stopped
T25 >> 1462739611.01136398 DistributedAtomicCorrection (227.77035s) started
T25 << 1462739611.99317098 DistributedAtomicCorrection (228.75216s) stopped
T25 >> 1462739611.99325800 Distribute overlap matrix (1244.49229s) started
T25 >> 1462739611.99328089 blocked summation (1216.67919s) started
T25 << 1462739617.42624688 blocked summation (1222.11216s) stopped
T25 >> 1462739617.43521905 Scalapack redistribute (25.62418s) started
T25 << 1462739617.55427790 Scalapack redistribute (25.74324s) stopped
T25 << 1462739617.55437589 Distribute overlap matrix (1250.05341s) stopped
T25 >> 1462739617.55892491 Blacs Orbital Layouts (13061.90756s) started
T25 >> 1462739617.56738806 General diagonalize (13005.67772s) started
T25 << 1462739674.95108390 General diagonalize (13063.06142s) stopped
T25 >> 1462739674.95113397 Redistribute coefs (4.37641s) started
T25 << 1462739674.96772099 Redistribute coefs (4.39300s) stopped
T25 >> 1462739674.96776295 Send coefs to domains (49.80871s) started
T25 << 1462739675.05952406 Send coefs to domains (49.90047s) stopped
T25 << 1462739675.06007695 Blacs Orbital Layouts (13119.40871s) stopped
T25 >> 1462739675.06010389 Calculate projections (1131.25561s) started
T25 << 1462739679.89053893 Calculate projections (1136.08605s) stopped
T25 << 1462739679.89073110 LCAO eigensolver (16285.04589s) stopped
T25 << 1462739681.10561800 SCF-cycle (38329.97753s) stopped
T25 >> 1462739683.98842311 Force calculation (1907.83546s) started
T25 >> 1462739683.98849893 LCAO forces (1712.18633s) started
T25 >> 1462739683.98886204 Initial (0.00050s) started
T25 << 1462739683.98887300 Initial (0.00051s) stopped
T25 >> 1462739683.99523711 Get density matrix (799.92525s) started
T25 << 1462739693.33568311 Get density matrix (809.26570s) stopped
T25 >> 1462739693.33572698 Potential (272.45876s) started
T25 << 1462739705.79528093 Potential (284.91831s) stopped
T25 >> 1462739705.79533195 Get density matrix (809.26574s) started
T25 << 1462739733.09928298 Get density matrix (836.56969s) stopped
T25 >> 1462739733.09934211 Prepare TCI loop (53.44198s) started
T25 >> 1462739733.09988594 Get neighbors (48.42018s) started
T25 << 1462739735.31295300 Get neighbors (50.63325s) stopped
T25 >> 1462739735.31414890 broadcast dH (4.99548s) started
T25 << 1462739735.65495396 broadcast dH (5.33629s) stopped
T25 << 1462739735.65500212 Prepare TCI loop (55.99764s) stopped
T25 >> 1462739735.65502405 Not so complicated loop (229.25458s) started
T25 << 1462739746.20396709 Not so complicated loop (239.80353s) stopped
T25 >> 1462739746.31975102 Complicated loop (354.31072s) started
T25 << 1462739762.59767795 Complicated loop (370.58865s) stopped
T25 >> 1462739762.60119390 Wait for sum (0.00225s) started
T25 << 1462739762.60128307 Wait for sum (0.00234s) stopped
T25 << 1462739762.60129809 LCAO forces (1790.79913s) stopped
T25 << 1462739771.91987610 Force calculation (1995.76691s) stopped
T25 >> 1462739771.94161391 Initialization (2847.43659s) started
T25 << 1462739771.94183302 Initialization (2847.43681s) stopped
T25 >> 1462739771.94211888 Initialization (2847.43682s) started
T25 << 1462739771.94227290 Initialization (2847.43698s) stopped
T25 >> 1462739771.94242811 Initialization (2847.43699s) started
T25 << 1462739771.94258404 Initialization (2847.43715s) stopped
T25 >> 1462739795.27522802 Initialization (2847.43717s) started
T25 >> 1462739795.62589192 Basic WFS set positions (2.92843s) started
T25 >> 1462739795.62591600 Redistribute (0.27891s) started
T25 << 1462739795.62605309 Redistribute (0.27904s) stopped
T25 << 1462739795.77103806 Basic WFS set positions (3.07357s) stopped
T25 >> 1462739795.77107000 Basis functions set positions (45.39477s) started
T25 << 1462739798.01126099 Basis functions set positions (47.63496s) stopped
T25 >> 1462739798.01725006 TCI: Calculate S, T, P (560.74351s) started
T25 << 1462739824.59575295 TCI: Calculate S, T, P (587.32202s) stopped
T25 >> 1462739824.59585500 blocked summation (516.72810s) started
T25 << 1462739852.97102404 blocked summation (545.10327s) stopped
T25 >> 1462739852.98984289 Scalapack redistribute (6.15535s) started
T25 << 1462739853.10953212 Scalapack redistribute (6.27504s) stopped
T25 >> 1462739853.11064410 blocked summation (545.10331s) started
T25 << 1462739854.46192598 blocked summation (546.45459s) stopped
T25 >> 1462739854.47147703 Scalapack redistribute (6.27507s) started
T25 << 1462739854.58054399 Scalapack redistribute (6.38414s) stopped
T25 >> 1462739854.58331490 Redistribute (0.77801s) started
T25 << 1462739854.58450389 Redistribute (0.77920s) stopped
T25 >> 1462739856.67348504 Redistribute (0.77922s) started
T25 << 1462739856.67507100 Redistribute (0.78081s) stopped
T25 >> 1462739856.69923496 LCAO WFS Initialize (1657.21054s) started
T25 >> 1462739856.69926405 Density initialize from wavefunctions (325.43844s) started
T25 >> 1462739856.70235705 Calculate density matrix (221.99445s) started
T25 << 1462739866.73926306 Calculate density matrix (232.03135s) stopped
T25 >> 1462739866.73932195 Construct density (35.97869s) started
T25 << 1462739868.37382007 Construct density (37.61319s) stopped
T25 >> 1462739868.38658500 Symmetrize density (0.00171s) started
T25 << 1462739868.38664103 Symmetrize density (0.00177s) stopped
T25 << 1462739871.43886590 Density initialize from wavefunctions (340.17804s) stopped
T25 >> 1462739871.43958402 Hamiltonian (1330.74030s) started
T25 >> 1462739871.43961811 vbar (0.57593s) started
T25 << 1462739871.46374989 vbar (0.60006s) stopped
T25 >> 1462739871.46382809 XC 3D grid (687.28007s) started
T25 >> 1462739871.96579003 van der Waals (664.50749s) started
T25 >> 1462739872.10071397 semilocal (150.23200s) started
T25 << 1462739878.79849195 semilocal (156.92978s) stopped
T25 >> 1462739878.87297702 redistribute (69.89943s) started
T25 << 1462739880.11533308 redistribute (71.14179s) stopped
T25 >> 1462739880.11543393 libvdwxc nonlocal (439.71606s) started
T25 << 1462739899.32515502 libvdwxc nonlocal (458.92578s) stopped
T25 >> 1462739899.32522893 redistribute (71.14183s) started
T25 << 1462739901.15594602 redistribute (72.97254s) stopped
T25 << 1462739901.15820098 van der Waals (693.69990s) stopped
T25 << 1462739901.63550091 XC 3D grid (717.45174s) stopped
T25 >> 1462739901.63554406 Poisson (347.35455s) started
T25 << 1462739912.96683192 Poisson (358.68583s) stopped
T25 >> 1462739912.96689892 Hartree integrate/restrict (8.98177s) started
T25 << 1462739913.01638508 Hartree integrate/restrict (9.03126s) stopped
T25 >> 1462739913.01646709 Hartree integrate/restrict (9.03131s) started
T25 << 1462739913.51130795 Hartree integrate/restrict (9.52615s) stopped
T25 >> 1462739913.56100893 Atomic (262.55823s) started
T25 >> 1462739913.58135509 XC Correction (198.12066s) started
T25 << 1462739923.88194609 XC Correction (208.42125s) stopped
T25 << 1462739927.54149294 Atomic (276.53872s) stopped
T25 >> 1462739927.54189706 Communicate (22.55514s) started
T25 << 1462739927.54205608 Communicate (22.55530s) stopped
T25 << 1462739927.54207993 Hamiltonian (1386.84280s) stopped
T25 << 1462739927.54214191 LCAO WFS Initialize (1728.05344s) stopped
T25 << 1462739927.55450606 Initialization (2979.71645s) stopped
T25 >> 1462739927.58381009 SCF-cycle (38329.97755s) started
T25 >> 1462739927.58386493 LCAO eigensolver (16285.04591s) started
T25 >> 1462739927.58387804 Potential matrix (549.41396s) started
T25 << 1462739929.98752809 Potential matrix (551.81761s) stopped
T25 >> 1462739929.98761606 DistributedAtomicCorrection (228.75219s) started
T25 << 1462739931.04779911 DistributedAtomicCorrection (229.81237s) stopped
T25 >> 1462739931.04784393 Distribute overlap matrix (1250.05342s) started
T25 >> 1462739931.04788995 blocked summation (1222.11219s) started
T25 << 1462739936.71550608 blocked summation (1227.77981s) stopped
T25 >> 1462739936.72558594 Scalapack redistribute (25.74331s) started
T25 << 1462739936.83563805 Scalapack redistribute (25.85336s) stopped
T25 << 1462739936.83571911 Distribute overlap matrix (1255.84129s) stopped
T25 >> 1462739936.84013796 Blacs Orbital Layouts (13119.40873s) started
T25 >> 1462739936.84870696 General diagonalize (13063.06146s) started
T25 << 1462739995.72811198 General diagonalize (13121.94087s) stopped
T25 >> 1462739995.72815895 Redistribute coefs (4.39303s) started
T25 << 1462739995.74411201 Redistribute coefs (4.40898s) stopped
T25 >> 1462739995.74415493 Send coefs to domains (49.90051s) started
T25 << 1462739995.90288997 Send coefs to domains (50.05925s) stopped
T25 << 1462739995.90348411 Blacs Orbital Layouts (13178.47208s) stopped
T25 >> 1462739995.90351391 Calculate projections (1136.08610s) started
T25 << 1462740000.79967189 Calculate projections (1140.98226s) stopped
T25 << 1462740000.80009890 LCAO eigensolver (16358.26215s) stopped
T25 >> 1462740002.09365892 Density (3601.40873s) started
T25 >> 1462740002.09367490 Pseudo density (2942.43955s) started
T25 >> 1462740002.09537101 Calculate density matrix (2593.41215s) started
T25 << 1462740015.16418004 Calculate density matrix (2606.48096s) stopped
T25 >> 1462740015.16423702 Construct density (340.01086s) started
T25 << 1462740016.80705190 Construct density (341.65368s) stopped
T25 >> 1462740016.82115197 Symmetrize density (0.01645s) started
T25 << 1462740016.82121897 Symmetrize density (0.01652s) stopped
T25 << 1462740016.82355595 Pseudo density (2957.16943s) stopped
T25 >> 1462740016.82361698 Atomic density matrices (548.11971s) started
T25 << 1462740019.50247192 Atomic density matrices (550.79856s) stopped
T25 >> 1462740019.50252104 Multipole moments (1.92234s) started
T25 << 1462740019.51090407 Multipole moments (1.93073s) stopped
T25 >> 1462740019.51096392 Normalize (1.76549s) started
T25 << 1462740019.51877999 Normalize (1.77331s) stopped
T25 >> 1462740019.51884604 Mix (107.13811s) started
T25 << 1462740019.96207809 Mix (107.58134s) stopped
T25 << 1462740019.96216798 Density (3619.27724s) stopped
T25 >> 1462740019.96232295 Hamiltonian (18146.71154s) started
T25 >> 1462740019.96234202 vbar (5.87241s) started
T25 << 1462740019.98878789 vbar (5.89886s) stopped
T25 >> 1462740019.98894095 XC 3D grid (13839.57366s) started
T25 >> 1462740020.48436689 van der Waals (13632.39489s) started
T25 >> 1462740020.61667991 semilocal (7371.12615s) started
T25 << 1462740027.40915990 semilocal (7377.91863s) stopped
T25 >> 1462740027.49114609 redistribute (2242.41806s) started
T25 << 1462740028.48557997 redistribute (2243.41249s) stopped
T25 >> 1462740028.48562407 libvdwxc nonlocal (3975.06878s) started
T25 << 1462740047.25059891 libvdwxc nonlocal (3993.83376s) stopped
T25 >> 1462740047.25066710 redistribute (2243.41253s) started
T25 << 1462740049.20423293 redistribute (2245.36609s) stopped
T25 << 1462740049.20634294 van der Waals (13661.11686s) stopped
T25 << 1462740049.69090891 XC 3D grid (13869.27563s) stopped
T25 >> 1462740049.69095111 Poisson (1799.16893s) started
T25 << 1462740055.42003703 Poisson (1804.89802s) stopped
T25 >> 1462740055.42011404 Hartree integrate/restrict (80.83931s) started
T25 << 1462740055.46289301 Hartree integrate/restrict (80.88209s) stopped
T25 >> 1462740055.46294999 Hartree integrate/restrict (80.88212s) started
T25 << 1462740055.80726099 Hartree integrate/restrict (81.22643s) stopped
T25 >> 1462740055.86353707 Atomic (2044.96783s) started
T25 >> 1462740055.88369012 XC Correction (1594.34930s) started
T25 << 1462740065.85752201 XC Correction (1604.32313s) stopped
T25 << 1462740069.75711203 Atomic (2058.86140s) stopped
T25 >> 1462740069.75735903 Communicate (364.43737s) started
T25 << 1462740069.75810194 Communicate (364.43811s) stopped
T25 << 1462740069.75812697 Hamiltonian (18196.50734s) stopped
T25 >> 1462740069.75822091 LCAO eigensolver (16358.26217s) started
T25 >> 1462740069.75823593 Potential matrix (551.81766s) started
T25 << 1462740072.16566300 Potential matrix (554.22509s) stopped
T25 >> 1462740072.16576004 DistributedAtomicCorrection (229.81241s) started
T25 << 1462740073.23067594 DistributedAtomicCorrection (230.87733s) stopped
T25 >> 1462740073.23078108 Distribute overlap matrix (1255.84131s) started
T25 >> 1462740073.23080611 blocked summation (1227.77984s) started
T25 << 1462740078.90832090 blocked summation (1233.45736s) stopped
T25 >> 1462740078.91812801 Scalapack redistribute (25.85342s) started
T25 << 1462740079.04006791 Scalapack redistribute (25.97536s) stopped
T25 << 1462740079.04014397 Distribute overlap matrix (1261.65067s) stopped
T25 >> 1462740079.04544902 Blacs Orbital Layouts (13178.47209s) started
T25 >> 1462740079.05398393 General diagonalize (13121.94090s) started
T25 << 1462740136.46183896 General diagonalize (13179.34876s) stopped
T25 >> 1462740136.46188903 Redistribute coefs (4.40901s) started
T25 << 1462740136.49305296 Redistribute coefs (4.44018s) stopped
T25 >> 1462740136.49309111 Send coefs to domains (50.05928s) started
T25 << 1462740136.87513304 Send coefs to domains (50.44132s) stopped
T25 << 1462740136.87562203 Blacs Orbital Layouts (13236.30227s) stopped
T25 >> 1462740136.87564898 Calculate projections (1140.98231s) started
T25 << 1462740141.78529906 Calculate projections (1145.89196s) stopped
T25 << 1462740141.78563404 LCAO eigensolver (16430.28958s) stopped
T25 >> 1462740142.84909511 Density (3619.27725s) started
T25 >> 1462740142.84911108 Pseudo density (2957.16948s) started
T25 >> 1462740142.85113692 Calculate density matrix (2606.48100s) started
T25 << 1462740155.73622704 Calculate density matrix (2619.36609s) stopped
T25 >> 1462740155.73628306 Construct density (341.65373s) started
T25 << 1462740157.38401604 Construct density (343.30146s) stopped
T25 >> 1462740157.39801502 Symmetrize density (0.01654s) started
T25 << 1462740157.39808202 Symmetrize density (0.01660s) stopped
T25 << 1462740157.40041709 Pseudo density (2971.72078s) stopped
T25 >> 1462740157.40047908 Atomic density matrices (550.79859s) started
T25 << 1462740160.08545089 Atomic density matrices (553.48356s) stopped
T25 >> 1462740160.08550000 Multipole moments (1.93074s) started
T25 << 1462740160.09623194 Multipole moments (1.94148s) stopped
T25 >> 1462740160.09629107 Normalize (1.77336s) started
T25 << 1462740160.10436201 Normalize (1.78143s) stopped
T25 >> 1462740160.10440397 Mix (107.58143s) started
T25 << 1462740160.58529210 Mix (108.06231s) stopped
T25 << 1462740160.58536291 Density (3637.01352s) stopped
T25 >> 1462740160.58549094 Hamiltonian (18196.50736s) started
T25 >> 1462740160.58550811 vbar (5.89895s) started
T25 << 1462740160.61289907 vbar (5.92634s) stopped
T25 >> 1462740160.61302304 XC 3D grid (13869.27566s) started
T25 >> 1462740161.11471605 van der Waals (13661.11693s) started
T25 >> 1462740161.24583602 semilocal (7377.91871s) started
T25 << 1462740168.32503700 semilocal (7384.99791s) stopped
T25 >> 1462740168.38939595 redistribute (2245.36620s) started
T25 << 1462740169.30251503 redistribute (2246.27932s) stopped
T25 >> 1462740169.30255699 libvdwxc nonlocal (3993.83381s) started
T25 << 1462740188.19864607 libvdwxc nonlocal (4012.72990s) stopped
T25 >> 1462740188.19871807 redistribute (2246.27935s) started
T25 << 1462740190.17478800 redistribute (2248.25542s) stopped
T25 << 1462740190.17648911 van der Waals (13690.17870s) stopped
T25 << 1462740190.66453791 XC 3D grid (13899.32717s) stopped
T25 >> 1462740190.66459489 Poisson (1804.89808s) started
T25 << 1462740196.49493194 Poisson (1810.72841s) stopped
T25 >> 1462740196.49505591 Hartree integrate/restrict (81.22647s) started
T25 << 1462740196.53431010 Hartree integrate/restrict (81.26573s) stopped
T25 >> 1462740196.53437090 Hartree integrate/restrict (81.26576s) started
T25 << 1462740196.88266706 Hartree integrate/restrict (81.61406s) stopped
T25 >> 1462740196.94055796 Atomic (2058.86142s) started
T25 >> 1462740196.96048594 XC Correction (1604.32315s) started
T25 << 1462740206.49145889 XC Correction (1613.85413s) stopped
T25 << 1462740210.12272406 Atomic (2072.04359s) stopped
T25 >> 1462740210.12303591 Communicate (364.43813s) started
T25 << 1462740210.12318993 Communicate (364.43828s) stopped
T25 << 1462740210.12321305 Hamiltonian (18246.04508s) stopped
T25 >> 1462740210.12330699 LCAO eigensolver (16430.28960s) started
T25 >> 1462740210.12332201 Potential matrix (554.22514s) started
T25 << 1462740212.53465009 Potential matrix (556.63647s) stopped
T25 >> 1462740212.53474808 DistributedAtomicCorrection (230.87737s) started
T25 << 1462740213.54297900 DistributedAtomicCorrection (231.88560s) stopped
T25 >> 1462740213.54308200 Distribute overlap matrix (1261.65068s) started
T25 >> 1462740213.54310799 blocked summation (1233.45739s) started
T25 << 1462740219.24160504 blocked summation (1239.15589s) stopped
T25 >> 1462740219.25020790 Scalapack redistribute (25.97541s) started
T25 << 1462740219.34577489 Scalapack redistribute (26.07098s) stopped
T25 << 1462740219.34586000 Distribute overlap matrix (1267.45346s) stopped
T25 >> 1462740219.35076189 Blacs Orbital Layouts (13236.30228s) started
T25 >> 1462740219.35903907 General diagonalize (13179.34880s) started
T25 << 1462740275.89241791 General diagonalize (13235.88218s) stopped
T25 >> 1462740275.89246607 Redistribute coefs (4.44021s) started
T25 << 1462740275.91892791 Redistribute coefs (4.46667s) stopped
T25 >> 1462740275.91897106 Send coefs to domains (50.44136s) started
T25 << 1462740276.04112411 Send coefs to domains (50.56352s) stopped
T25 << 1462740276.04172993 Blacs Orbital Layouts (13292.99325s) stopped
T25 >> 1462740276.04176092 Calculate projections (1145.89202s) started
T25 << 1462740280.89661407 Calculate projections (1150.74687s) stopped
T25 << 1462740280.89683008 LCAO eigensolver (16501.06312s) stopped
T25 >> 1462740282.05892396 Density (3637.01353s) started
T25 >> 1462740282.05893993 Pseudo density (2971.72083s) started
T25 >> 1462740282.06019402 Calculate density matrix (2619.36613s) started
T25 << 1462740294.99280405 Calculate density matrix (2632.29874s) stopped
T25 >> 1462740294.99286199 Construct density (343.30152s) started
T25 << 1462740296.63766003 Construct density (344.94632s) stopped
T25 >> 1462740296.65006304 Symmetrize density (0.01662s) started
T25 << 1462740296.65012598 Symmetrize density (0.01669s) stopped
T25 << 1462740296.65218902 Pseudo density (2986.31408s) stopped
T25 >> 1462740296.65224504 Atomic density matrices (553.48359s) started
T25 << 1462740299.33320308 Atomic density matrices (556.16454s) stopped
T25 >> 1462740299.33325195 Multipole moments (1.94149s) started
T25 << 1462740299.34538007 Multipole moments (1.95362s) stopped
T25 >> 1462740299.34543800 Normalize (1.78146s) started
T25 << 1462740299.35216308 Normalize (1.78818s) stopped
T25 >> 1462740299.35223508 Mix (108.06238s) started
T25 << 1462740299.83790898 Mix (108.54806s) stopped
T25 << 1462740299.83796906 Density (3654.79258s) stopped
T25 >> 1462740299.83813000 Hamiltonian (18246.04509s) started
T25 >> 1462740299.83815002 vbar (5.92641s) started
T25 << 1462740299.86729503 vbar (5.95556s) stopped
T25 >> 1462740299.86737990 XC 3D grid (13899.32722s) started
T25 >> 1462740300.35668612 van der Waals (13690.17881s) started
T25 >> 1462740300.48196793 semilocal (7384.99796s) started
T25 << 1462740306.69807792 semilocal (7391.21407s) stopped
T25 >> 1462740306.82018495 redistribute (2248.25549s) started
T25 << 1462740308.47427201 redistribute (2249.90958s) stopped
T25 >> 1462740308.47431707 libvdwxc nonlocal (4012.72995s) started
T25 << 1462740327.93469191 libvdwxc nonlocal (4032.19033s) stopped
T25 >> 1462740327.93476009 redistribute (2249.90961s) started
T25 << 1462740329.58271790 redistribute (2251.55757s) stopped
T25 << 1462740329.58437800 van der Waals (13719.40650s) stopped
T25 << 1462740330.07487798 XC 3D grid (13929.53472s) stopped
T25 >> 1462740330.07492495 Poisson (1810.72852s) started
T25 << 1462740335.89696193 Poisson (1816.55055s) stopped
T25 >> 1462740335.89702606 Hartree integrate/restrict (81.61410s) started
T25 << 1462740335.95353889 Hartree integrate/restrict (81.67061s) stopped
T25 >> 1462740335.95360708 Hartree integrate/restrict (81.67066s) started
T25 << 1462740336.27620411 Hartree integrate/restrict (81.99326s) stopped
T25 >> 1462740336.33445501 Atomic (2072.04361s) started
T25 >> 1462740336.35401106 XC Correction (1613.85416s) started
T25 << 1462740345.69788003 XC Correction (1623.19803s) stopped
T25 << 1462740348.71266794 Atomic (2084.42182s) stopped
T25 >> 1462740348.71297503 Communicate (364.43830s) started
T25 << 1462740349.43905711 Communicate (365.16438s) stopped
T25 << 1462740349.43908501 Hamiltonian (18295.64604s) stopped
T25 >> 1462740349.43921804 LCAO eigensolver (16501.06314s) started
T25 >> 1462740349.43923306 Potential matrix (556.63653s) started
T25 << 1462740351.83993006 Potential matrix (559.03722s) stopped
T25 >> 1462740351.84001303 DistributedAtomicCorrection (231.88564s) started
T25 << 1462740352.86012912 DistributedAtomicCorrection (232.90576s) stopped
T25 >> 1462740352.86017299 Distribute overlap matrix (1267.45348s) started
T25 >> 1462740352.86025310 blocked summation (1239.15592s) started
T25 << 1462740358.48098111 blocked summation (1244.77664s) stopped
T25 >> 1462740358.48984194 Scalapack redistribute (26.07104s) started
T25 << 1462740358.57953691 Scalapack redistribute (26.16073s) stopped
T25 << 1462740358.57958698 Distribute overlap matrix (1273.17289s) stopped
T25 >> 1462740358.58414102 Blacs Orbital Layouts (13292.99327s) started
T25 >> 1462740358.59212589 General diagonalize (13235.88222s) started
T25 << 1462740415.27859807 General diagonalize (13292.56869s) stopped
T25 >> 1462740415.27864504 Redistribute coefs (4.46670s) started
T25 << 1462740415.29504895 Redistribute coefs (4.48311s) stopped
T25 >> 1462740415.29509306 Send coefs to domains (50.56355s) started
T25 << 1462740415.38297606 Send coefs to domains (50.65144s) stopped
T25 << 1462740415.38346004 Blacs Orbital Layouts (13349.79259s) stopped
T25 >> 1462740415.38348794 Calculate projections (1150.74693s) started
T25 << 1462740420.22563291 Calculate projections (1155.58907s) stopped
T25 << 1462740420.22581601 LCAO eigensolver (16571.84973s) stopped
T25 >> 1462740421.41330099 Density (3654.79259s) started
T25 >> 1462740421.41331601 Pseudo density (2986.31413s) started
T25 >> 1462740421.41466498 Calculate density matrix (2632.29878s) started
T25 << 1462740434.22552609 Calculate density matrix (2645.10964s) stopped
T25 >> 1462740434.22559190 Construct density (344.94637s) started
T25 << 1462740435.85520196 Construct density (346.57598s) stopped
T25 >> 1462740435.86725307 Symmetrize density (0.01670s) started
T25 << 1462740435.86730790 Symmetrize density (0.01676s) stopped
T25 << 1462740435.86935306 Pseudo density (3000.77016s) stopped
T25 >> 1462740435.86940694 Atomic density matrices (556.16457s) started
T25 << 1462740438.57034802 Atomic density matrices (558.86551s) stopped
T25 >> 1462740438.57039595 Multipole moments (1.95364s) started
T25 << 1462740438.57925200 Multipole moments (1.96249s) stopped
T25 >> 1462740438.57931089 Normalize (1.78823s) started
T25 << 1462740438.58605003 Normalize (1.79497s) stopped
T25 >> 1462740438.58611989 Mix (108.54812s) started
T25 << 1462740439.11005807 Mix (109.07206s) stopped
T25 << 1462740439.11014509 Density (3672.48944s) stopped
T25 >> 1462740439.11029601 Hamiltonian (18295.64606s) started
T25 >> 1462740439.11031294 vbar (5.95560s) started
T25 << 1462740439.13592005 vbar (5.98121s) stopped
T25 >> 1462740439.13600802 XC 3D grid (13929.53476s) started
T25 >> 1462740439.62220812 van der Waals (13719.40658s) started
T25 >> 1462740439.75300407 semilocal (7391.21420s) started
T25 << 1462740446.29342294 semilocal (7397.75462s) stopped
T25 >> 1462740446.36838889 redistribute (2251.55767s) started
T25 << 1462740473.09702802 redistribute (2278.28631s) stopped
T25 >> 1462740473.09707808 libvdwxc nonlocal (4032.19038s) started
T25 << 1462740492.45951295 libvdwxc nonlocal (4051.55281s) stopped
T25 >> 1462740492.45955992 redistribute (2278.28635s) started
T25 << 1462740494.10494089 redistribute (2279.93173s) stopped
T25 << 1462740494.10694408 van der Waals (13773.89132s) stopped
T25 << 1462740494.59860492 XC 3D grid (13984.99735s) stopped
T25 >> 1462740494.59864807 Poisson (1816.55060s) started
T25 << 1462740500.35427809 Poisson (1822.30623s) stopped
T25 >> 1462740500.35434699 Hartree integrate/restrict (81.99331s) started
T25 << 1462740500.40958595 Hartree integrate/restrict (82.04855s) stopped
T25 >> 1462740500.40963888 Hartree integrate/restrict (82.04858s) started
T25 << 1462740500.72551799 Hartree integrate/restrict (82.36446s) stopped
T25 >> 1462740500.78390408 Atomic (2084.42185s) started
T25 >> 1462740500.80366993 XC Correction (1623.19806s) started
T25 << 1462740510.22469306 XC Correction (1632.61908s) stopped
T25 << 1462740513.03571010 Atomic (2096.67365s) stopped
T25 >> 1462740513.03597999 Communicate (365.16440s) started
T25 << 1462740513.96552300 Communicate (366.09394s) stopped
T25 << 1462740513.96554708 Hamiltonian (18370.50131s) stopped
T25 >> 1462740513.96564507 LCAO eigensolver (16571.84975s) started
T25 >> 1462740513.96566105 Potential matrix (559.03727s) started
T25 << 1462740516.36459708 Potential matrix (561.43621s) stopped
T25 >> 1462740516.36469007 DistributedAtomicCorrection (232.90579s) started
T25 << 1462740517.34811497 DistributedAtomicCorrection (233.88922s) stopped
T25 >> 1462740517.34820795 Distribute overlap matrix (1273.17290s) started
T25 >> 1462740517.34823108 blocked summation (1244.77668s) started
T25 << 1462740523.00004005 blocked summation (1250.42849s) stopped
T25 >> 1462740523.01012611 Scalapack redistribute (26.16077s) started
T25 << 1462740523.10219407 Scalapack redistribute (26.25284s) stopped
T25 << 1462740523.10227299 Distribute overlap matrix (1278.92697s) stopped
T25 >> 1462740523.10768294 Blacs Orbital Layouts (13349.79261s) started
T25 >> 1462740523.11596608 General diagonalize (13292.56873s) started
T25 << 1462740580.44197106 General diagonalize (13349.89473s) stopped
T25 >> 1462740580.44201994 Redistribute coefs (4.48314s) started
T25 << 1462740580.46885800 Redistribute coefs (4.50998s) stopped
T25 >> 1462740580.46889997 Send coefs to domains (50.65148s) started
T25 << 1462740580.66227698 Send coefs to domains (50.84486s) stopped
T25 << 1462740580.66279292 Blacs Orbital Layouts (13407.34772s) stopped
T25 >> 1462740580.66282511 Calculate projections (1155.58913s) started
T25 << 1462740585.56024599 Calculate projections (1160.48655s) stopped
T25 << 1462740585.56061506 LCAO eigensolver (16643.44472s) stopped
T25 >> 1462740586.68900108 Density (3672.48946s) started
T25 >> 1462740586.68901610 Pseudo density (3000.77021s) started
T25 >> 1462740586.69078708 Calculate density matrix (2645.10968s) started
T25 << 1462740599.64171410 Calculate density matrix (2658.06061s) stopped
T25 >> 1462740599.64177108 Construct density (346.57603s) started
T25 << 1462740601.28244805 Construct density (348.21671s) stopped
T25 >> 1462740601.29627490 Symmetrize density (0.01678s) started
T25 << 1462740601.29633808 Symmetrize density (0.01684s) stopped
T25 << 1462740601.29869294 Pseudo density (3015.37988s) stopped
T25 >> 1462740601.29875302 Atomic density matrices (558.86553s) started
T25 << 1462740603.98380589 Atomic density matrices (561.55059s) stopped
T25 >> 1462740603.98385692 Multipole moments (1.96251s) started
T25 << 1462740603.99468899 Multipole moments (1.97334s) stopped
T25 >> 1462740603.99474812 Normalize (1.79502s) started
T25 << 1462740604.00504994 Normalize (1.80532s) stopped
T25 >> 1462740604.00511694 Mix (109.07214s) started
T25 << 1462740604.62509799 Mix (109.69212s) stopped
T25 << 1462740604.62516189 Density (3690.42562s) stopped
T25 >> 1462740604.62526989 Hamiltonian (18370.50132s) started
T25 >> 1462740604.62528610 vbar (5.98126s) started
T25 << 1462740604.64473295 vbar (6.00071s) stopped
T25 >> 1462740604.64481997 XC 3D grid (13984.99739s) started
T25 >> 1462740605.14227891 van der Waals (13773.89138s) started
T25 >> 1462740605.27309895 semilocal (7397.75472s) started
T25 << 1462740858.81749701 semilocal (7651.29912s) stopped
T25 >> 1462740858.88726807 redistribute (2279.93184s) started
T25 << 1462741024.31751990 redistribute (2445.36209s) stopped
T25 >> 1462741024.31756210 libvdwxc nonlocal (4051.55285s) started
T25 << 1462741042.85747600 libvdwxc nonlocal (4070.09276s) stopped
T25 >> 1462741042.85754609 redistribute (2445.36212s) started
T25 << 1462741044.65723205 redistribute (2447.16181s) stopped
T25 << 1462741044.65903902 van der Waals (14213.40814s) stopped
T25 << 1462741045.14537311 XC 3D grid (14425.49794s) stopped
T25 >> 1462741045.14541602 Poisson (1822.30628s) started
T25 << 1462741049.54612398 Poisson (1826.70699s) stopped
T25 >> 1462741049.54621410 Hartree integrate/restrict (82.36451s) started
T25 << 1462741049.59058499 Hartree integrate/restrict (82.40888s) stopped
T25 >> 1462741049.59064293 Hartree integrate/restrict (82.40891s) started
T25 << 1462741049.93230796 Hartree integrate/restrict (82.75058s) stopped
T25 >> 1462741049.99160600 Atomic (2096.67368s) started
T25 >> 1462741050.01126504 XC Correction (1632.61910s) started
T25 << 1462741059.35681295 XC Correction (1641.96465s) stopped
T25 << 1462741062.23644996 Atomic (2108.91852s) stopped
T25 >> 1462741062.23674798 Communicate (366.09395s) started
T25 << 1462741063.13388395 Communicate (366.99109s) stopped
T25 << 1462741063.13391209 Hamiltonian (18829.00996s) stopped
T25 >> 1462741063.13401890 LCAO eigensolver (16643.44474s) started
T25 >> 1462741063.13403797 Potential matrix (561.43626s) started
T25 << 1462741065.52165198 Potential matrix (563.82388s) stopped
T25 >> 1462741065.52174091 DistributedAtomicCorrection (233.88925s) started
T25 << 1462741066.53904009 DistributedAtomicCorrection (234.90655s) stopped
T25 >> 1462741066.53913808 Distribute overlap matrix (1278.92698s) started
T25 >> 1462741066.53916192 blocked summation (1250.42853s) started
T25 << 1462741072.17648506 blocked summation (1256.06585s) stopped
T25 >> 1462741072.18563199 Scalapack redistribute (26.25289s) started
T25 << 1462741072.33421898 Scalapack redistribute (26.40148s) stopped
T25 << 1462741072.33435512 Distribute overlap matrix (1284.72220s) stopped
T25 >> 1462741072.34057689 Blacs Orbital Layouts (13407.34774s) started
T25 >> 1462741072.34886694 General diagonalize (13349.89477s) started
T25 << 1462741130.34788203 General diagonalize (13407.89379s) stopped
T25 >> 1462741130.34792995 Redistribute coefs (4.51001s) started
T25 << 1462741130.36499906 Redistribute coefs (4.52708s) stopped
T25 >> 1462741130.36504292 Send coefs to domains (50.84490s) started
T25 << 1462741130.50734401 Send coefs to domains (50.98720s) stopped
T25 << 1462741130.50812697 Blacs Orbital Layouts (13465.51529s) stopped
T25 >> 1462741130.50815701 Calculate projections (1160.48660s) started
T25 << 1462741135.41566110 Calculate projections (1165.39411s) stopped
T25 << 1462741135.41607904 LCAO eigensolver (16715.72680s) stopped
T25 >> 1462741137.02853894 Density (3690.42563s) started
T25 >> 1462741137.02855492 Pseudo density (3015.37993s) started
T25 >> 1462741137.03108597 Calculate density matrix (2658.06065s) started
T25 << 1462741150.01883101 Calculate density matrix (2671.04839s) stopped
T25 >> 1462741150.01888800 Construct density (348.21676s) started
T25 << 1462741151.66886091 Construct density (349.86674s) stopped
T25 >> 1462741151.68264699 Symmetrize density (0.01686s) started
T25 << 1462741151.68270802 Symmetrize density (0.01692s) stopped
T25 << 1462741151.68512106 Pseudo density (3030.03650s) stopped
T25 >> 1462741151.68518305 Atomic density matrices (561.55061s) started
T25 << 1462741154.39058995 Atomic density matrices (564.25602s) stopped
T25 >> 1462741154.39063907 Multipole moments (1.97336s) started
T25 << 1462741154.41029191 Multipole moments (1.99302s) stopped
T25 >> 1462741154.41035104 Normalize (1.80537s) started
T25 << 1462741154.41885805 Normalize (1.81388s) stopped
T25 >> 1462741154.41891408 Mix (109.69218s) started
T25 << 1462741154.99762702 Mix (110.27090s) stopped
T25 << 1462741154.99770403 Density (3708.39480s) stopped
T25 >> 1462741154.99783802 Hamiltonian (18829.00998s) started
T25 >> 1462741154.99785709 vbar (6.00075s) started
T25 << 1462741155.03099895 vbar (6.03389s) stopped
T25 >> 1462741155.03112507 XC 3D grid (14425.49797s) started
T25 >> 1462741155.49343991 van der Waals (14213.40821s) started
T25 >> 1462741155.62538505 semilocal (7651.29919s) started
T25 << 1462742185.27227306 semilocal (8680.94607s) stopped
T25 >> 1462742185.33999491 redistribute (2447.16189s) started
T25 << 1462742186.32318091 redistribute (2448.14507s) stopped
T25 >> 1462742186.32323408 libvdwxc nonlocal (4070.09282s) started
T25 << 1462742205.28344011 libvdwxc nonlocal (4089.05302s) stopped
T25 >> 1462742205.28350997 redistribute (2448.14511s) started
T25 << 1462742207.26873112 redistribute (2450.13034s) stopped
T25 << 1462742207.27033401 van der Waals (15265.18511s) stopped
T25 << 1462742207.76155496 XC 3D grid (15478.22840s) stopped
T25 >> 1462742207.76159596 Poisson (1826.70705s) started
T25 << 1462742210.71785498 Poisson (1829.66331s) stopped
T25 >> 1462742210.71797609 Hartree integrate/restrict (82.75062s) started
T25 << 1462742210.75729108 Hartree integrate/restrict (82.78993s) stopped
T25 >> 1462742210.75736094 Hartree integrate/restrict (82.78998s) started
T25 << 1462742211.10664511 Hartree integrate/restrict (83.13926s) stopped
T25 >> 1462742211.16546011 Atomic (2108.91854s) started
T25 >> 1462742211.18553495 XC Correction (1641.96468s) started
T25 << 1462742220.64000201 XC Correction (1651.41915s) stopped
T25 << 1462742223.38171911 Atomic (2121.13480s) stopped
T25 >> 1462742223.38203502 Communicate (366.99111s) started
T25 << 1462742224.33689809 Communicate (367.94597s) stopped
T25 << 1462742224.33692598 Hamiltonian (19898.34906s) stopped
T25 >> 1462742224.33706307 LCAO eigensolver (16715.72682s) started
T25 >> 1462742224.33708000 Potential matrix (563.82393s) started
T25 << 1462742226.73469901 Potential matrix (566.22155s) stopped
T25 >> 1462742226.73479891 DistributedAtomicCorrection (234.90659s) started
T25 << 1462742227.76216888 DistributedAtomicCorrection (235.93396s) stopped
T25 >> 1462742227.76227498 Distribute overlap matrix (1284.72221s) started
T25 >> 1462742227.76230097 blocked summation (1256.06588s) started
T25 << 1462742233.47357011 blocked summation (1261.77715s) stopped
T25 >> 1462742233.48299408 Scalapack redistribute (26.40156s) started
T25 << 1462742233.57388401 Scalapack redistribute (26.49245s) stopped
T25 << 1462742233.57398295 Distribute overlap matrix (1290.53392s) stopped
T25 >> 1462742233.57880998 Blacs Orbital Layouts (13465.51531s) started
T25 >> 1462742233.58697009 General diagonalize (13407.89383s) started
T25 << 1462742291.87811804 General diagonalize (13466.18497s) stopped
T25 >> 1462742291.87816191 Redistribute coefs (4.52712s) started
T25 << 1462742291.90506697 Redistribute coefs (4.55402s) stopped
T25 >> 1462742291.90510607 Send coefs to domains (50.98723s) started
T25 << 1462742292.44202089 Send coefs to domains (51.52415s) stopped
T25 << 1462742292.44253802 Blacs Orbital Layouts (13524.37904s) stopped
T25 >> 1462742292.44256997 Calculate projections (1165.39417s) started
T25 << 1462742297.34862399 Calculate projections (1170.30022s) stopped
T25 << 1462742297.34897208 LCAO eigensolver (16788.73873s) stopped
T25 << 1462742298.42740107 SCF-cycle (40700.82114s) stopped
T25 >> 1462742301.36533308 Force calculation (1995.76694s) started
T25 >> 1462742301.36541605 LCAO forces (1790.79914s) started
T25 >> 1462742301.36579609 Initial (0.00052s) started
T25 << 1462742301.36580801 Initial (0.00053s) stopped
T25 >> 1462742301.37211204 Get density matrix (836.56972s) started
T25 << 1462742310.69237494 Get density matrix (845.88998s) stopped
T25 >> 1462742310.69241595 Potential (284.91835s) started
T25 << 1462742323.16422200 Potential (297.39016s) stopped
T25 >> 1462742323.16427994 Get density matrix (845.89002s) started
T25 << 1462742350.46990204 Get density matrix (873.19564s) stopped
T25 >> 1462742350.46996689 Prepare TCI loop (55.99766s) started
T25 >> 1462742350.47053409 Get neighbors (50.63331s) started
T25 << 1462742352.79066205 Get neighbors (52.95344s) stopped
T25 >> 1462742352.79151011 broadcast dH (5.33632s) started
T25 << 1462742353.01809597 broadcast dH (5.56290s) stopped
T25 << 1462742353.01814795 Prepare TCI loop (58.54584s) stopped
T25 >> 1462742353.01816797 Not so complicated loop (239.80356s) started
T25 << 1462742363.51883197 Not so complicated loop (250.30423s) stopped
T25 >> 1462742363.63818693 Complicated loop (370.58868s) started
T25 << 1462742379.87320805 Complicated loop (386.82370s) stopped
T25 >> 1462742379.87586093 Wait for sum (0.00236s) started
T25 << 1462742379.87594390 Wait for sum (0.00244s) stopped
T25 << 1462742379.87596297 LCAO forces (1869.30969s) stopped
T25 << 1462742389.15101194 Force calculation (2083.55262s) stopped
T25 >> 1462742389.17232800 Initialization (2979.71647s) started
T25 << 1462742389.17255092 Initialization (2979.71669s) stopped
T25 >> 1462742389.17291808 Initialization (2979.71671s) started
T25 << 1462742389.17307591 Initialization (2979.71686s) stopped
T25 >> 1462742389.17322111 Initialization (2979.71688s) started
T25 << 1462742389.17336988 Initialization (2979.71703s) stopped
T25 >> 1462742412.58350205 Initialization (2979.71705s) started
T25 >> 1462742412.70525789 Basic WFS set positions (3.07360s) started
T25 >> 1462742412.70528102 Redistribute (0.27906s) started
T25 << 1462742412.70999002 Redistribute (0.28377s) stopped
T25 << 1462742412.85754609 Basic WFS set positions (3.22588s) stopped
T25 >> 1462742412.85757494 Basis functions set positions (47.63499s) started
T25 << 1462742415.05043697 Basis functions set positions (49.82785s) stopped
T25 >> 1462742415.05564594 TCI: Calculate S, T, P (587.32205s) started
T25 << 1462742441.64566708 TCI: Calculate S, T, P (613.91207s) stopped
T25 >> 1462742441.64578104 blocked summation (546.45463s) started
T25 << 1462742472.18334007 blocked summation (576.99219s) stopped
T25 >> 1462742472.20282602 Scalapack redistribute (6.38419s) started
T25 << 1462742472.32857609 Scalapack redistribute (6.50994s) stopped
T25 >> 1462742472.32961392 blocked summation (576.99223s) started
T25 << 1462742473.69159508 blocked summation (578.35421s) stopped
T25 >> 1462742473.70024991 Scalapack redistribute (6.51001s) started
T25 << 1462742473.79974198 Scalapack redistribute (6.60950s) stopped
T25 >> 1462742473.80330992 Redistribute (0.78086s) started
T25 << 1462742473.80454397 Redistribute (0.78209s) stopped
T25 >> 1462742475.84642911 Redistribute (0.78211s) started
T25 << 1462742475.84784698 Redistribute (0.78353s) stopped
T25 >> 1462742475.88011193 LCAO WFS Initialize (1728.05346s) started
T25 >> 1462742475.88014007 Density initialize from wavefunctions (340.17811s) started
T25 >> 1462742475.88316202 Calculate density matrix (232.03139s) started
T25 << 1462742485.99476910 Calculate density matrix (242.14300s) stopped
T25 >> 1462742485.99482894 Construct density (37.61324s) started
T25 << 1462742487.64793491 Construct density (39.26635s) stopped
T25 >> 1462742487.66105604 Symmetrize density (0.00179s) started
T25 << 1462742487.66111898 Symmetrize density (0.00185s) stopped
T25 << 1462742490.88438702 Density initialize from wavefunctions (355.18235s) stopped
T25 >> 1462742490.88493109 Hamiltonian (1386.84281s) started
T25 >> 1462742490.88494992 vbar (0.60010s) started
T25 << 1462742490.90346193 vbar (0.61861s) stopped
T25 >> 1462742490.90356493 XC 3D grid (717.45178s) started
T25 >> 1462742491.40181708 van der Waals (693.70001s) started
T25 >> 1462742491.54000092 semilocal (156.92985s) started
T25 << 1462742498.30419302 semilocal (163.69404s) stopped
T25 >> 1462742498.37081909 redistribute (72.97269s) started
T25 << 1462742499.28077793 redistribute (73.88265s) stopped
T25 >> 1462742499.28087592 libvdwxc nonlocal (458.92583s) started
T25 << 1462742517.83846402 libvdwxc nonlocal (477.48342s) stopped
T25 >> 1462742517.83853793 redistribute (73.88268s) started
T25 << 1462742519.70603108 redistribute (75.75017s) stopped
T25 << 1462742519.70816588 van der Waals (722.00636s) stopped
T25 << 1462742520.18828297 XC 3D grid (746.73650s) stopped
T25 >> 1462742520.18833089 Poisson (358.68589s) started
T25 << 1462742533.07700300 Poisson (371.57456s) stopped
T25 >> 1462742533.07706499 Hartree integrate/restrict (9.52620s) started
T25 << 1462742533.12080097 Hartree integrate/restrict (9.56994s) stopped
T25 >> 1462742533.12086606 Hartree integrate/restrict (9.56998s) started
T25 << 1462742533.45520902 Hartree integrate/restrict (9.90432s) stopped
T25 >> 1462742533.51081705 Atomic (276.53874s) started
T25 >> 1462742533.53082705 XC Correction (208.42128s) started
T25 << 1462742544.14890695 XC Correction (219.03936s) stopped
T25 << 1462742547.29036808 Atomic (290.31829s) stopped
T25 >> 1462742547.29071999 Communicate (22.55531s) started
T25 << 1462742547.43545008 Communicate (22.70004s) stopped
T25 << 1462742547.43547392 Hamiltonian (1443.39335s) stopped
T25 << 1462742547.43553400 LCAO WFS Initialize (1799.60888s) stopped
T25 << 1462742547.44772410 Initialization (3114.58127s) stopped
T25 >> 1462742547.47687602 SCF-cycle (40700.82116s) started
T25 >> 1462742547.47692800 LCAO eigensolver (16788.73875s) started
T25 >> 1462742547.47694111 Potential matrix (566.22160s) started
T25 << 1462742549.87044811 Potential matrix (568.61511s) stopped
T25 >> 1462742549.87054896 DistributedAtomicCorrection (235.93400s) started
T25 << 1462742550.89316201 DistributedAtomicCorrection (236.95661s) stopped
T25 >> 1462742550.89321303 Distribute overlap matrix (1290.53393s) started
T25 >> 1462742550.89325809 blocked summation (1261.77718s) started
T25 << 1462742556.65326309 blocked summation (1267.53719s) stopped
T25 >> 1462742556.66296792 Scalapack redistribute (26.49251s) started
T25 << 1462742556.76990604 Scalapack redistribute (26.59945s) stopped
T25 << 1462742556.77025890 Distribute overlap matrix (1296.41098s) stopped
T25 >> 1462742556.77498007 Blacs Orbital Layouts (13524.37906s) started
T25 >> 1462742556.78312302 General diagonalize (13466.18501s) started
T25 << 1462742615.93843007 General diagonalize (13525.34032s) stopped
T25 >> 1462742615.93847609 Redistribute coefs (4.55405s) started
T25 << 1462742615.96704888 Redistribute coefs (4.58262s) stopped
T25 >> 1462742615.96708894 Send coefs to domains (51.52419s) started
T25 << 1462742616.20619512 Send coefs to domains (51.76330s) stopped
T25 << 1462742616.20670390 Blacs Orbital Layouts (13583.81078s) stopped
T25 >> 1462742616.20673490 Calculate projections (1170.30028s) started
T25 << 1462742621.05896592 Calculate projections (1175.15251s) stopped
T25 << 1462742621.05930090 LCAO eigensolver (16862.32112s) stopped
T25 >> 1462742622.39186192 Density (3708.39481s) started
T25 >> 1462742622.39187598 Pseudo density (3030.03655s) started
T25 >> 1462742622.39324307 Calculate density matrix (2671.04843s) started
T25 << 1462742635.04427290 Calculate density matrix (2683.69946s) stopped
T25 >> 1462742635.04433107 Construct density (349.86678s) started
T25 << 1462742636.74189711 Construct density (351.56435s) stopped
T25 >> 1462742636.75498009 Symmetrize density (0.01693s) started
T25 << 1462742636.75505209 Symmetrize density (0.01701s) stopped
T25 << 1462742636.75715494 Pseudo density (3044.40183s) stopped
T25 >> 1462742636.75721502 Atomic density matrices (564.25605s) started
T25 << 1462742639.39096808 Atomic density matrices (566.88980s) stopped
T25 >> 1462742639.39102292 Multipole moments (1.99303s) started
T25 << 1462742639.39868593 Multipole moments (2.00070s) stopped
T25 >> 1462742639.39874792 Normalize (1.81392s) started
T25 << 1462742639.40634704 Normalize (1.82152s) stopped
T25 >> 1462742639.40639710 Mix (110.27097s) started
T25 << 1462742639.82786608 Mix (110.69244s) stopped
T25 << 1462742639.82793498 Density (3725.83089s) stopped
T25 >> 1462742639.82807398 Hamiltonian (19898.34908s) started
T25 >> 1462742639.82809496 vbar (6.03396s) started
T25 << 1462742639.85829711 vbar (6.06416s) stopped
T25 >> 1462742639.85845089 XC 3D grid (15478.22843s) started
T25 >> 1462742640.35826707 van der Waals (15265.18516s) started
T25 >> 1462742640.49425697 semilocal (8680.94617s) started
T25 << 1462742647.16957688 semilocal (8687.62149s) stopped
T25 >> 1462742647.24891591 redistribute (2450.13043s) started
T25 << 1462742648.18624997 redistribute (2451.06777s) stopped
T25 >> 1462742648.18629193 libvdwxc nonlocal (4089.05308s) started
T25 << 1462742666.80725288 libvdwxc nonlocal (4107.67404s) stopped
T25 >> 1462742666.80732298 redistribute (2451.06780s) started
T25 << 1462742668.67380905 redistribute (2452.93429s) stopped
T25 << 1462742668.67519689 van der Waals (15293.50209s) stopped
T25 << 1462742669.16505909 XC 3D grid (15507.53504s) stopped
T25 >> 1462742669.16510510 Poisson (1829.66340s) started
T25 << 1462742675.04993296 Poisson (1835.54823s) stopped
T25 >> 1462742675.05000710 Hartree integrate/restrict (83.13930s) started
T25 << 1462742675.09247303 Hartree integrate/restrict (83.18176s) stopped
T25 >> 1462742675.09259796 Hartree integrate/restrict (83.18185s) started
T25 << 1462742675.43007994 Hartree integrate/restrict (83.51933s) stopped
T25 >> 1462742675.48734403 Atomic (2121.13483s) started
T25 >> 1462742675.50667191 XC Correction (1651.41918s) started
T25 << 1462742685.84992695 XC Correction (1661.76243s) stopped
T25 << 1462742689.38629198 Atomic (2135.03377s) stopped
T25 >> 1462742689.38664389 Communicate (367.94599s) started
T25 << 1462742689.38683200 Communicate (367.94618s) stopped
T25 << 1462742689.38685608 Hamiltonian (19947.90786s) stopped
T25 >> 1462742689.38696003 LCAO eigensolver (16862.32114s) started
T25 >> 1462742689.38697505 Potential matrix (568.61517s) started
T25 << 1462742691.79690504 Potential matrix (571.02510s) stopped
T25 >> 1462742691.79700804 DistributedAtomicCorrection (236.95666s) started
T25 << 1462742692.85909605 DistributedAtomicCorrection (238.01875s) stopped
T25 >> 1462742692.85920405 Distribute overlap matrix (1296.41099s) started
T25 >> 1462742692.85923100 blocked summation (1267.53722s) started
T25 << 1462742698.68126202 blocked summation (1273.35925s) stopped
T25 >> 1462742698.69128799 Scalapack redistribute (26.59951s) started
T25 << 1462742698.81611705 Scalapack redistribute (26.72434s) stopped
T25 << 1462742698.81621289 Distribute overlap matrix (1302.36800s) stopped
T25 >> 1462742698.82172394 Blacs Orbital Layouts (13583.81080s) started
T25 >> 1462742698.82996011 General diagonalize (13525.34035s) started
T25 << 1462742756.51305389 General diagonalize (13583.02345s) stopped
T25 >> 1462742756.51310706 Redistribute coefs (4.58265s) started
T25 << 1462742756.53127408 Redistribute coefs (4.60082s) stopped
T25 >> 1462742756.53132105 Send coefs to domains (51.76334s) started
T25 << 1462742756.70153403 Send coefs to domains (51.93355s) stopped
T25 << 1462742756.70222092 Blacs Orbital Layouts (13641.69130s) stopped
T25 >> 1462742756.70225096 Calculate projections (1175.15257s) started
T25 << 1462742761.51595306 Calculate projections (1179.96627s) stopped
T25 << 1462742761.51635504 LCAO eigensolver (16934.45053s) stopped
T25 >> 1462742763.06740999 Density (3725.83090s) started
T25 >> 1462742763.06742501 Pseudo density (3044.40187s) started
T25 >> 1462742763.06907201 Calculate density matrix (2683.69950s) started
T25 << 1462742775.97384501 Calculate density matrix (2696.60427s) stopped
T25 >> 1462742775.97390008 Construct density (351.56441s) started
T25 << 1462742777.67319703 Construct density (353.26370s) stopped
T25 >> 1462742777.68891311 Symmetrize density (0.01702s) started
T25 << 1462742777.68897891 Symmetrize density (0.01709s) stopped
T25 << 1462742777.69139695 Pseudo density (3059.02585s) stopped
T25 >> 1462742777.69144607 Atomic density matrices (566.88983s) started
T25 << 1462742780.31756306 Atomic density matrices (569.51594s) stopped
T25 >> 1462742780.31761193 Multipole moments (2.00071s) started
T25 << 1462742780.32802606 Multipole moments (2.01113s) stopped
T25 >> 1462742780.32808995 Normalize (1.82156s) started
T25 << 1462742780.33918095 Normalize (1.83265s) stopped
T25 >> 1462742780.33925200 Mix (110.69250s) started
T25 << 1462742780.78851509 Mix (111.14177s) stopped
T25 << 1462742780.78856397 Density (3743.55206s) stopped
T25 >> 1462742780.78870106 Hamiltonian (19947.90787s) started
T25 >> 1462742780.78872108 vbar (6.06425s) started
T25 << 1462742780.81410408 vbar (6.08963s) stopped
T25 >> 1462742780.81417704 XC 3D grid (15507.53508s) started
T25 >> 1462742781.30153894 van der Waals (15293.50213s) started
T25 >> 1462742781.43422008 semilocal (8687.62160s) started
T25 << 1462742787.88965702 semilocal (8694.07704s) stopped
T25 >> 1462742787.99174500 redistribute (2452.93439s) started
T25 << 1462742789.36257792 redistribute (2454.30522s) stopped
T25 >> 1462742789.36262202 libvdwxc nonlocal (4107.67409s) started
T25 << 1462742809.55780792 libvdwxc nonlocal (4127.86927s) stopped
T25 >> 1462742809.55784988 redistribute (2454.30526s) started
T25 << 1462742811.17026591 redistribute (2455.91767s) stopped
T25 << 1462742811.17231202 van der Waals (15323.37291s) stopped
T25 << 1462742811.65939689 XC 3D grid (15538.38030s) stopped
T25 >> 1462742811.65943909 Poisson (1835.54828s) started
T25 << 1462742819.08576703 Poisson (1842.97461s) stopped
T25 >> 1462742819.08583093 Hartree integrate/restrict (83.51937s) started
T25 << 1462742819.15249300 Hartree integrate/restrict (83.58603s) stopped
T25 >> 1462742819.15253806 Hartree integrate/restrict (83.58606s) started
T25 << 1462742819.48731089 Hartree integrate/restrict (83.92083s) stopped
T25 >> 1462742819.54544902 Atomic (2135.03380s) started
T25 >> 1462742819.56426501 XC Correction (1661.76246s) started
T25 << 1462742829.44987702 XC Correction (1671.64807s) stopped
T25 << 1462742832.95720792 Atomic (2148.44556s) stopped
T25 >> 1462742832.95749497 Communicate (367.94619s) started
T25 << 1462742833.16559696 Communicate (368.15429s) stopped
T25 << 1462742833.16562200 Hamiltonian (20000.28479s) stopped
T25 >> 1462742833.16571999 LCAO eigensolver (16934.45055s) started
T25 >> 1462742833.16573501 Potential matrix (571.02516s) started
T25 << 1462742835.56977892 Potential matrix (573.42920s) stopped
T25 >> 1462742835.56986690 DistributedAtomicCorrection (238.01879s) started
T25 << 1462742836.60109091 DistributedAtomicCorrection (239.05001s) stopped
T25 >> 1462742836.60119295 Distribute overlap matrix (1302.36802s) started
T25 >> 1462742836.60121703 blocked summation (1273.35928s) started
T25 << 1462742842.41213489 blocked summation (1279.17020s) stopped
T25 >> 1462742842.42220998 Scalapack redistribute (26.72441s) started
T25 << 1462742842.52446294 Scalapack redistribute (26.82666s) stopped
T25 << 1462742842.52458596 Distribute overlap matrix (1308.29141s) stopped
T25 >> 1462742842.53076601 Blacs Orbital Layouts (13641.69132s) started
T25 >> 1462742842.53923011 General diagonalize (13583.02349s) started
T25 << 1462742902.01075196 General diagonalize (13642.49501s) stopped
T25 >> 1462742902.01079702 Redistribute coefs (4.60086s) started
T25 << 1462742902.03759694 Redistribute coefs (4.62766s) stopped
T25 >> 1462742902.03763604 Send coefs to domains (51.93359s) started
T25 << 1462742902.16070890 Send coefs to domains (52.05666s) stopped
T25 << 1462742902.16125202 Blacs Orbital Layouts (13701.32181s) stopped
T25 >> 1462742902.16128397 Calculate projections (1179.96632s) started
T25 << 1462742907.01428795 Calculate projections (1184.81932s) stopped
T25 << 1462742907.01470208 LCAO eigensolver (17008.29953s) stopped
T25 >> 1462742908.28954411 Density (3743.55207s) started
T25 >> 1462742908.28956008 Pseudo density (3059.02588s) started
T25 >> 1462742908.29074693 Calculate density matrix (2696.60431s) started
T25 << 1462742921.13258696 Calculate density matrix (2709.44615s) stopped
T25 >> 1462742921.13264489 Construct density (353.26376s) started
T25 << 1462742922.82426810 Construct density (354.95538s) stopped
T25 >> 1462742922.83703494 Symmetrize density (0.01711s) started
T25 << 1462742922.83710194 Symmetrize density (0.01717s) stopped
T25 << 1462742922.83920097 Pseudo density (3073.57553s) stopped
T25 >> 1462742922.83927011 Atomic density matrices (569.51597s) started
T25 << 1462742925.46960402 Atomic density matrices (572.14630s) stopped
T25 >> 1462742925.46965504 Multipole moments (2.01115s) started
T25 << 1462742925.48345399 Multipole moments (2.02495s) stopped
T25 >> 1462742925.48351502 Normalize (1.83270s) started
T25 << 1462742925.49103689 Normalize (1.84022s) stopped
T25 >> 1462742925.49111199 Mix (111.14182s) started
T25 << 1462742926.01156497 Mix (111.66227s) stopped
T25 << 1462742926.01165509 Density (3761.27418s) stopped
T25 >> 1462742926.01178789 Hamiltonian (20000.28480s) started
T25 >> 1462742926.01180696 vbar (6.08967s) started
T25 << 1462742926.04035211 vbar (6.11822s) stopped
T25 >> 1462742926.04047203 XC 3D grid (15538.38033s) started
T25 >> 1462742926.56113911 van der Waals (15323.37296s) started
T25 >> 1462742926.69744802 semilocal (8694.07718s) started
T25 << 1462742933.46398497 semilocal (8700.84372s) stopped
T25 >> 1462742933.52464795 redistribute (2455.91778s) started
T25 << 1462742937.09849095 redistribute (2459.49162s) stopped
T25 >> 1462742937.09853411 libvdwxc nonlocal (4127.86931s) started
T25 << 1462742955.89745903 libvdwxc nonlocal (4146.66823s) stopped
T25 >> 1462742955.89751291 redistribute (2459.49165s) started
T25 << 1462742957.89131808 redistribute (2461.48546s) stopped
T25 << 1462742957.89327097 van der Waals (15354.70510s) stopped
T25 << 1462742958.38035893 XC 3D grid (15570.72022s) stopped
T25 >> 1462742958.38041091 Poisson (1842.97465s) started
T25 << 1462742965.75336790 Poisson (1850.34761s) stopped
T25 >> 1462742965.75343609 Hartree integrate/restrict (83.92089s) started
T25 << 1462742965.79455495 Hartree integrate/restrict (83.96201s) stopped
T25 >> 1462742965.79464412 Hartree integrate/restrict (83.96207s) started
T25 << 1462742966.13530397 Hartree integrate/restrict (84.30273s) stopped
T25 >> 1462742966.19238710 Atomic (2148.44558s) started
T25 >> 1462742966.21147394 XC Correction (1671.64810s) started
T25 << 1462742975.99174690 XC Correction (1681.42837s) stopped
T25 << 1462742978.89194703 Atomic (2161.14514s) stopped
T25 >> 1462742978.89223099 Communicate (368.15431s) started
T25 << 1462742979.96322203 Communicate (369.22530s) stopped
T25 << 1462742979.96324801 Hamiltonian (20054.23626s) stopped
T25 >> 1462742979.96335411 LCAO eigensolver (17008.29955s) started
T25 >> 1462742979.96336889 Potential matrix (573.42925s) started
T25 << 1462742982.35086489 Potential matrix (575.81675s) stopped
T25 >> 1462742982.35095501 DistributedAtomicCorrection (239.05005s) started
T25 << 1462742983.37224889 DistributedAtomicCorrection (240.07134s) stopped
T25 >> 1462742983.37234807 Distribute overlap matrix (1308.29142s) started
T25 >> 1462742983.37237406 blocked summation (1279.17023s) started
T25 << 1462742989.38842297 blocked summation (1285.18628s) stopped
T25 >> 1462742989.39757299 Scalapack redistribute (26.82674s) started
T25 << 1462742989.50589108 Scalapack redistribute (26.93506s) stopped
T25 << 1462742989.50598907 Distribute overlap matrix (1314.42506s) stopped
T25 >> 1462742989.51272392 Blacs Orbital Layouts (13701.32183s) started
T25 >> 1462742989.52162409 General diagonalize (13642.49505s) started
T25 << 1462743047.08550811 General diagonalize (13700.05894s) stopped
T25 >> 1462743047.08555603 Redistribute coefs (4.62769s) started
T25 << 1462743047.10208607 Redistribute coefs (4.64422s) stopped
T25 >> 1462743047.10212803 Send coefs to domains (52.05669s) started
T25 << 1462743047.29043603 Send coefs to domains (52.24500s) stopped
T25 << 1462743047.29116702 Blacs Orbital Layouts (13759.10027s) stopped
T25 >> 1462743047.29119611 Calculate projections (1184.81938s) started
T25 << 1462743052.14593911 Calculate projections (1189.67413s) stopped
T25 << 1462743052.14614892 LCAO eigensolver (17080.48235s) stopped
T25 >> 1462743053.47803092 Density (3761.27420s) started
T25 >> 1462743053.47804594 Pseudo density (3073.57558s) started
T25 >> 1462743053.47940397 Calculate density matrix (2709.44618s) started
T25 << 1462743066.21720290 Calculate density matrix (2722.18398s) stopped
T25 >> 1462743066.21725893 Construct density (354.95544s) started
T25 << 1462743067.91070294 Construct density (356.64888s) stopped
T25 >> 1462743067.92362094 Symmetrize density (0.01719s) started
T25 << 1462743067.92368507 Symmetrize density (0.01726s) stopped
T25 << 1462743067.92579198 Pseudo density (3088.02333s) stopped
T25 >> 1462743067.92585206 Atomic density matrices (572.14633s) started
T25 << 1462743070.55515504 Atomic density matrices (574.77563s) stopped
T25 >> 1462743070.55520606 Multipole moments (2.02496s) started
T25 << 1462743070.56855297 Multipole moments (2.03831s) stopped
T25 >> 1462743070.56861711 Normalize (1.84029s) started
T25 << 1462743070.57556891 Normalize (1.84724s) stopped
T25 >> 1462743070.57568097 Mix (111.66235s) started
T25 << 1462743071.07467294 Mix (112.16135s) stopped
T25 << 1462743071.07475901 Density (3778.87093s) stopped
T25 >> 1462743071.07488894 Hamiltonian (20054.23627s) started
T25 >> 1462743071.07490802 vbar (6.11828s) started
T25 << 1462743071.10940409 vbar (6.15278s) stopped
T25 >> 1462743071.10955811 XC 3D grid (15570.72026s) started
T25 >> 1462743071.60087705 van der Waals (15354.70520s) started
T25 >> 1462743071.73528910 semilocal (8700.84380s) started
T25 << 1462743152.21625710 semilocal (8781.32477s) stopped
T25 >> 1462743152.28707910 redistribute (2461.48555s) started
T25 << 1462743155.66385293 redistribute (2464.86232s) stopped
T25 >> 1462743155.66389704 libvdwxc nonlocal (4146.66827s) started
T25 << 1462743174.56604004 libvdwxc nonlocal (4165.57041s) stopped
T25 >> 1462743174.56611300 redistribute (2464.86236s) started
T25 << 1462743176.43866992 redistribute (2466.73491s) stopped
T25 << 1462743176.44086409 van der Waals (15459.54519s) stopped
T25 << 1462743176.93348002 XC 3D grid (15676.54419s) stopped
T25 >> 1462743176.93353295 Poisson (1850.34766s) started
T25 << 1462743181.28893590 Poisson (1854.70306s) stopped
T25 >> 1462743181.28905201 Hartree integrate/restrict (84.30277s) started
T25 << 1462743181.32802510 Hartree integrate/restrict (84.34174s) stopped
T25 >> 1462743181.32814288 Hartree integrate/restrict (84.34182s) started
T25 << 1462743181.67823410 Hartree integrate/restrict (84.69191s) stopped
T25 >> 1462743181.73357105 Atomic (2161.14516s) started
T25 >> 1462743181.75325394 XC Correction (1681.42840s) started
T25 << 1462743191.59783602 XC Correction (1691.27298s) stopped
T25 << 1462743194.01835895 Atomic (2173.42995s) stopped
T25 >> 1462743194.01868105 Communicate (369.22531s) started
T25 << 1462743195.49300003 Communicate (370.69963s) stopped
T25 << 1462743195.49302602 Hamiltonian (20178.65441s) stopped
T25 >> 1462743195.49313998 LCAO eigensolver (17080.48237s) started
T25 >> 1462743195.49315596 Potential matrix (575.81680s) started
T25 << 1462743197.89234090 Potential matrix (578.21598s) stopped
T25 >> 1462743197.89243889 DistributedAtomicCorrection (240.07138s) started
T25 << 1462743198.95066595 DistributedAtomicCorrection (241.12961s) stopped
T25 >> 1462743198.95076990 Distribute overlap matrix (1314.42508s) started
T25 >> 1462743198.95079589 blocked summation (1285.18631s) started
T25 << 1462743204.71522808 blocked summation (1290.95074s) stopped
T25 >> 1462743204.72438312 Scalapack redistribute (26.93512s) started
T25 << 1462743204.83723903 Scalapack redistribute (27.04798s) stopped
T25 << 1462743204.83733797 Distribute overlap matrix (1320.31165s) stopped
T25 >> 1462743204.84424710 Blacs Orbital Layouts (13759.10029s) started
T25 >> 1462743204.85318708 General diagonalize (13700.05897s) started
T25 << 1462743262.46421003 General diagonalize (13757.67000s) stopped
T25 >> 1462743262.46426010 Redistribute coefs (4.64425s) started
T25 << 1462743262.48140812 Redistribute coefs (4.66140s) stopped
T25 >> 1462743262.48145390 Send coefs to domains (52.24504s) started
T25 << 1462743262.57877302 Send coefs to domains (52.34236s) stopped
T25 << 1462743262.57920194 Blacs Orbital Layouts (13816.83525s) stopped
T25 >> 1462743262.57923102 Calculate projections (1189.67420s) started
T25 << 1462743267.43161297 Calculate projections (1194.52659s) stopped
T25 << 1462743267.43179011 LCAO eigensolver (17152.42102s) stopped
T25 >> 1462743268.76927710 Density (3778.87094s) started
T25 >> 1462743268.76929212 Pseudo density (3088.02338s) started
T25 >> 1462743268.77046704 Calculate density matrix (2722.18402s) started
T25 << 1462743281.49779797 Calculate density matrix (2734.91135s) stopped
T25 >> 1462743281.49785709 Construct density (356.64894s) started
T25 << 1462743283.19332194 Construct density (358.34440s) stopped
T25 >> 1462743283.20624590 Symmetrize density (0.01728s) started
T25 << 1462743283.20630908 Symmetrize density (0.01734s) stopped
T25 << 1462743283.20841599 Pseudo density (3102.46250s) stopped
T25 >> 1462743283.20847702 Atomic density matrices (574.77566s) started
T25 << 1462743285.84072709 Atomic density matrices (577.40791s) stopped
T25 >> 1462743285.84077597 Multipole moments (2.03833s) started
T25 << 1462743285.85056806 Multipole moments (2.04812s) stopped
T25 >> 1462743285.85063004 Normalize (1.84733s) started
T25 << 1462743285.85762691 Normalize (1.85433s) stopped
T25 >> 1462743285.85772491 Mix (112.16143s) started
T25 << 1462743286.39848709 Mix (112.70219s) stopped
T25 << 1462743286.39858794 Density (3796.50026s) stopped
T25 >> 1462743286.39873695 Hamiltonian (20178.65442s) started
T25 >> 1462743286.39875603 vbar (6.15286s) started
T25 << 1462743286.42673397 vbar (6.18084s) stopped
T25 >> 1462743286.42687988 XC 3D grid (15676.54423s) started
T25 >> 1462743286.93210101 van der Waals (15459.54526s) started
T25 >> 1462743287.06329799 semilocal (8781.32484s) started
T25 << 1462743695.42652512 semilocal (9189.68807s) stopped
T25 >> 1462743695.48808289 redistribute (2466.73498s) started
T25 << 1462744215.17768598 redistribute (2986.42459s) stopped
T25 >> 1462744215.17772794 libvdwxc nonlocal (4165.57047s) started
T25 << 1462744233.71377110 libvdwxc nonlocal (4184.10651s) stopped
T25 >> 1462744233.71383810 redistribute (2986.42462s) started
T25 << 1462744235.56631398 redistribute (2988.27710s) stopped
T25 << 1462744235.56845188 van der Waals (16408.18161s) stopped
T25 << 1462744236.06068611 XC 3D grid (16626.17803s) stopped
T25 >> 1462744236.06072998 Poisson (1854.70315s) started
T25 << 1462744240.41804504 Poisson (1859.06047s) stopped
T25 >> 1462744240.41810799 Hartree integrate/restrict (84.69195s) started
T25 << 1462744240.46357894 Hartree integrate/restrict (84.73743s) stopped
T25 >> 1462744240.46366096 Hartree integrate/restrict (84.73748s) started
T25 << 1462744240.80540609 Hartree integrate/restrict (85.07922s) stopped
T25 >> 1462744240.86929703 Atomic (2173.42997s) started
T25 >> 1462744240.88873911 XC Correction (1691.27301s) started
T25 << 1462744250.70950198 XC Correction (1701.09377s) stopped
T25 << 1462744253.14969611 Atomic (2185.71037s) stopped
T25 >> 1462744253.15001798 Communicate (370.69965s) started
T25 << 1462744254.49567103 Communicate (372.04530s) stopped
T25 << 1462744254.49569893 Hamiltonian (21146.75139s) stopped
T25 >> 1462744254.49580789 LCAO eigensolver (17152.42104s) started
T25 >> 1462744254.49582410 Potential matrix (578.21604s) started
T25 << 1462744256.91296911 Potential matrix (580.63318s) stopped
T25 >> 1462744256.91306996 DistributedAtomicCorrection (241.12965s) started
T25 << 1462744257.88584208 DistributedAtomicCorrection (242.10242s) stopped
T25 >> 1462744257.88594389 Distribute overlap matrix (1320.31166s) started
T25 >> 1462744257.88597012 blocked summation (1290.95077s) started
T25 << 1462744263.39950109 blocked summation (1296.46431s) stopped
T25 >> 1462744263.40943503 Scalapack redistribute (27.04804s) started
T25 << 1462744263.51424003 Scalapack redistribute (27.15285s) stopped
T25 << 1462744263.51437807 Distribute overlap matrix (1325.94009s) stopped
T25 >> 1462744263.52149796 Blacs Orbital Layouts (13816.83527s) started
T25 >> 1462744263.53023100 General diagonalize (13757.67004s) started
T25 << 1462744324.39373302 General diagonalize (13818.53354s) stopped
T25 >> 1462744324.39377904 Redistribute coefs (4.66143s) started
T25 << 1462744324.42109895 Redistribute coefs (4.68875s) stopped
T25 >> 1462744324.42113996 Send coefs to domains (52.34239s) started
T25 << 1462744324.54576397 Send coefs to domains (52.46701s) stopped
T25 << 1462744324.54643297 Blacs Orbital Layouts (13877.86020s) stopped
T25 >> 1462744324.54646206 Calculate projections (1194.52664s) started
T25 << 1462744329.39135408 Calculate projections (1199.37154s) stopped
T25 << 1462744329.39169002 LCAO eigensolver (17227.31692s) stopped
T25 >> 1462744330.73458195 Density (3796.50027s) started
T25 >> 1462744330.73459506 Pseudo density (3102.46255s) started
T25 >> 1462744330.73583007 Calculate density matrix (2734.91139s) started
T25 << 1462744343.48987198 Calculate density matrix (2747.66543s) stopped
T25 >> 1462744343.48992491 Construct density (358.34446s) started
T25 << 1462744345.17929792 Construct density (360.03383s) stopped
T25 >> 1462744345.30346704 Symmetrize density (0.01736s) started
T25 << 1462744345.30352998 Symmetrize density (0.01742s) stopped
T25 << 1462744345.30560493 Pseudo density (3117.03356s) stopped
T25 >> 1462744345.30566597 Atomic density matrices (577.40793s) started
T25 << 1462744347.83227110 Atomic density matrices (579.93454s) stopped
T25 >> 1462744347.83231997 Multipole moments (2.04814s) started
T25 << 1462744347.84418893 Multipole moments (2.06001s) stopped
T25 >> 1462744347.84424996 Normalize (1.85440s) started
T25 << 1462744347.85146093 Normalize (1.86161s) stopped
T25 >> 1462744347.85154200 Mix (112.70229s) started
T25 << 1462744348.40753007 Mix (113.25828s) stopped
T25 << 1462744348.40761304 Density (3814.17330s) stopped
T25 >> 1462744348.40776205 Hamiltonian (21146.75140s) started
T25 >> 1462744348.40778208 vbar (6.18092s) started
T25 << 1462744348.43913388 vbar (6.21227s) stopped
T25 >> 1462744348.43925691 XC 3D grid (16626.17807s) started
T25 >> 1462744348.92526793 van der Waals (16408.18171s) started
T25 >> 1462744349.06565809 semilocal (9189.68815s) started
T25 << 1462744819.76305795 semilocal (9660.38555s) stopped
T25 >> 1462744819.82034898 redistribute (2988.27721s) started
T25 << 1462744820.71861696 redistribute (2989.17548s) stopped
T25 >> 1462744820.71865892 libvdwxc nonlocal (4184.10656s) started
T25 << 1462744839.76669192 libvdwxc nonlocal (4203.15460s) stopped
T25 >> 1462744839.76676393 redistribute (2989.17551s) started
T25 << 1462744841.68386602 redistribute (2991.09261s) stopped
T25 << 1462744841.68680501 van der Waals (16900.94325s) stopped
T25 << 1462744842.17238498 XC 3D grid (17119.91120s) stopped
T25 >> 1462744842.17242694 Poisson (1859.06052s) started
T25 << 1462744846.51683593 Poisson (1863.40492s) stopped
T25 >> 1462744846.51694202 Hartree integrate/restrict (85.07932s) started
T25 << 1462744846.55635810 Hartree integrate/restrict (85.11874s) stopped
T25 >> 1462744846.55644107 Hartree integrate/restrict (85.11879s) started
T25 << 1462744846.90510988 Hartree integrate/restrict (85.46746s) stopped
T25 >> 1462744846.96230793 Atomic (2185.71040s) started
T25 >> 1462744846.98185110 XC Correction (1701.09380s) started
T25 << 1462744856.92994809 XC Correction (1711.04190s) stopped
T25 << 1462744859.14052796 Atomic (2197.88862s) stopped
T25 >> 1462744859.14079499 Communicate (372.04532s) started
T25 << 1462744860.64789605 Communicate (373.55242s) stopped
T25 << 1462744860.64792204 Hamiltonian (21658.99156s) stopped
T25 >> 1462744860.64803100 LCAO eigensolver (17227.31694s) started
T25 >> 1462744860.64804697 Potential matrix (580.63324s) started
T25 << 1462744863.04787302 Potential matrix (583.03306s) stopped
T25 >> 1462744863.04797792 DistributedAtomicCorrection (242.10247s) started
T25 << 1462744864.07608604 DistributedAtomicCorrection (243.13058s) stopped
T25 >> 1462744864.07618999 Distribute overlap matrix (1325.94011s) started
T25 >> 1462744864.07621598 blocked summation (1296.46434s) started
T25 << 1462744869.54169607 blocked summation (1301.92982s) stopped
T25 >> 1462744869.55102205 Scalapack redistribute (27.15293s) started
T25 << 1462744869.68405390 Scalapack redistribute (27.28596s) stopped
T25 << 1462744869.68412399 Distribute overlap matrix (1331.54804s) stopped
T25 >> 1462744869.69027090 Blacs Orbital Layouts (13877.86022s) started
T25 >> 1462744869.69855809 General diagonalize (13818.53358s) started
T25 << 1462744928.37076712 General diagonalize (13877.20579s) stopped
T25 >> 1462744928.37081695 Redistribute coefs (4.68878s) started
T25 << 1462744928.39722705 Redistribute coefs (4.71519s) stopped
T25 >> 1462744928.39727902 Send coefs to domains (52.46705s) started
T25 << 1462744928.79375505 Send coefs to domains (52.86353s) stopped
T25 << 1462744928.79415298 Blacs Orbital Layouts (13936.96410s) stopped
T25 >> 1462744928.79418206 Calculate projections (1199.37159s) started
T25 << 1462744933.64955091 Calculate projections (1204.22696s) stopped
T25 << 1462744933.64973497 LCAO eigensolver (17300.31864s) stopped
T25 << 1462744934.98275805 SCF-cycle (43088.32704s) stopped
T25 >> 1462744937.77239108 Force calculation (2083.55264s) started
T25 >> 1462744937.77247095 LCAO forces (1869.30970s) started
T25 >> 1462744937.77285099 Initial (0.00054s) started
T25 << 1462744937.77286196 Initial (0.00055s) stopped
T25 >> 1462744937.83410501 Get density matrix (873.19567s) started
T25 << 1462744947.94994307 Get density matrix (883.31151s) stopped
T25 >> 1462744947.94999194 Potential (297.39021s) started
T25 << 1462744960.39930797 Potential (309.83952s) stopped
T25 >> 1462744960.39936709 Get density matrix (883.31155s) started
T25 << 1462744988.00923395 Get density matrix (910.92141s) stopped
T25 >> 1462744988.00929594 Prepare TCI loop (58.54585s) started
T25 >> 1462744988.00985193 Get neighbors (52.95352s) started
T25 << 1462744990.30341697 Get neighbors (55.24709s) stopped
T25 >> 1462744990.30450296 broadcast dH (5.56293s) started
T25 << 1462744990.40320396 broadcast dH (5.66163s) stopped
T25 << 1462744990.40325189 Prepare TCI loop (60.93980s) stopped
T25 >> 1462744990.40327191 Not so complicated loop (250.30426s) started
T25 << 1462745001.07654905 Not so complicated loop (260.97754s) stopped
T25 >> 1462745001.19535589 Complicated loop (386.82374s) started
T25 << 1462745017.53887510 Complicated loop (403.16726s) stopped
T25 >> 1462745017.54282999 Wait for sum (0.00246s) started
T25 << 1462745017.54292297 Wait for sum (0.00255s) stopped
T25 << 1462745017.54293799 LCAO forces (1949.08016s) stopped
T25 << 1462745026.67315507 Force calculation (2172.45341s) stopped
T25 >> 1462745026.69386792 Initialization (3114.58129s) started
T25 << 1462745026.69409609 Initialization (3114.58151s) stopped
T25 >> 1462745026.69437790 Initialization (3114.58153s) started
T25 << 1462745026.69453096 Initialization (3114.58168s) stopped
T25 >> 1462745026.69468093 Initialization (3114.58170s) started
T25 << 1462745026.69483590 Initialization (3114.58185s) stopped
T25 >> 1462745049.90944409 Initialization (3114.58214s) started
T25 >> 1462745050.39210391 Basic WFS set positions (3.22591s) started
T25 >> 1462745050.39212894 Redistribute (0.28379s) started
T25 << 1462745050.39226794 Redistribute (0.28392s) stopped
T25 << 1462745050.54187202 Basic WFS set positions (3.37567s) stopped
T25 >> 1462745050.54190207 Basis functions set positions (49.82788s) started
T25 << 1462745052.68864298 Basis functions set positions (51.97463s) stopped
T25 >> 1462745052.69250298 TCI: Calculate S, T, P (613.91211s) started
T25 << 1462745079.61489606 TCI: Calculate S, T, P (640.83450s) stopped
T25 >> 1462745079.61501598 blocked summation (578.35425s) started
T25 << 1462745110.37043190 blocked summation (609.10966s) stopped
T25 >> 1462745110.38253903 Scalapack redistribute (6.60954s) started
T25 << 1462745110.52697992 Scalapack redistribute (6.75398s) stopped
T25 >> 1462745110.52840400 blocked summation (609.10970s) started
T25 << 1462745111.82743692 blocked summation (610.40873s) stopped
T25 >> 1462745111.83710194 Scalapack redistribute (6.75404s) started
T25 << 1462745111.96242309 Scalapack redistribute (6.87936s) stopped
T25 >> 1462745111.96548510 Redistribute (0.78358s) started
T25 << 1462745111.96678305 Redistribute (0.78487s) stopped
T25 >> 1462745114.13122296 Redistribute (0.78490s) started
T25 << 1462745114.13276005 Redistribute (0.78644s) stopped
T25 >> 1462745114.16394806 LCAO WFS Initialize (1799.60889s) started
T25 >> 1462745114.16397810 Density initialize from wavefunctions (355.18242s) started
T25 >> 1462745114.16750598 Calculate density matrix (242.14304s) started
T25 << 1462745124.82486796 Calculate density matrix (252.80040s) stopped
T25 >> 1462745124.82492590 Construct density (39.26641s) started
T25 << 1462745126.47095394 Construct density (40.91244s) stopped
T25 >> 1462745126.48409390 Symmetrize density (0.00187s) started
T25 << 1462745126.48415709 Symmetrize density (0.00193s) stopped
T25 << 1462745129.54265189 Density initialize from wavefunctions (370.56109s) stopped
T25 >> 1462745129.54350400 Hamiltonian (1443.39337s) started
T25 >> 1462745129.54354095 vbar (0.61867s) started
T25 << 1462745129.56655407 vbar (0.64168s) stopped
T25 >> 1462745129.56669307 XC 3D grid (746.73653s) started
T25 >> 1462745130.08678603 van der Waals (722.00647s) started
T25 >> 1462745130.22213101 semilocal (163.69411s) started
T25 << 1462745137.10487604 semilocal (170.57686s) stopped
T25 >> 1462745137.16447806 redistribute (75.75028s) started
T25 << 1462745138.29912305 redistribute (76.88492s) stopped
T25 >> 1462745138.29921007 libvdwxc nonlocal (477.48348s) started
T25 << 1462745157.54994202 libvdwxc nonlocal (496.73421s) stopped
T25 >> 1462745157.55003190 redistribute (76.88496s) started
T25 << 1462745159.60694909 redistribute (78.94187s) stopped
T25 << 1462745159.60883403 van der Waals (751.52851s) stopped
T25 << 1462745160.09166408 XC 3D grid (777.26150s) stopped
T25 >> 1462745160.09170794 Poisson (371.57460s) started
T25 << 1462745172.32156396 Poisson (383.80446s) stopped
T25 >> 1462745172.32164598 Hartree integrate/restrict (9.90435s) started
T25 << 1462745172.35690403 Hartree integrate/restrict (9.93961s) stopped
T25 >> 1462745172.35705304 Hartree integrate/restrict (9.93972s) started
T25 << 1462745172.72187400 Hartree integrate/restrict (10.30454s) stopped
T25 >> 1462745172.77960110 Atomic (290.31831s) started
T25 >> 1462745172.79924393 XC Correction (219.03938s) started
T25 << 1462745183.37358308 XC Correction (229.61372s) stopped
T25 << 1462745186.75724792 Atomic (304.29596s) stopped
T25 >> 1462745186.75770903 Communicate (22.70006s) started
T25 << 1462745187.18128896 Communicate (23.12364s) stopped
T25 << 1462745187.18131590 Hamiltonian (1501.03118s) stopped
T25 << 1462745187.18138003 LCAO WFS Initialize (1872.62632s) stopped
T25 << 1462745187.19409299 Initialization (3251.86679s) stopped
T25 >> 1462745187.22429705 SCF-cycle (43088.32706s) started
T25 >> 1462745187.22435594 LCAO eigensolver (17300.31866s) started
T25 >> 1462745187.22436905 Potential matrix (583.03312s) started
T25 << 1462745189.63103604 Potential matrix (585.43979s) stopped
T25 >> 1462745189.63113308 DistributedAtomicCorrection (243.13062s) started
T25 << 1462745190.69152808 DistributedAtomicCorrection (244.19101s) stopped
T25 >> 1462745190.69163799 Distribute overlap matrix (1331.54805s) started
T25 >> 1462745190.69166398 blocked summation (1301.92985s) started
T25 << 1462745196.44878006 blocked summation (1307.68697s) stopped
T25 >> 1462745196.45838499 Scalapack redistribute (27.28600s) started
T25 << 1462745196.58279490 Scalapack redistribute (27.41041s) stopped
T25 << 1462745196.58290291 Distribute overlap matrix (1337.43932s) stopped
T25 >> 1462745196.59218693 Blacs Orbital Layouts (13936.96412s) started
T25 >> 1462745196.60321403 General diagonalize (13877.20583s) started
T25 << 1462745256.06562901 General diagonalize (13936.66824s) stopped
T25 >> 1462745256.06567693 Redistribute coefs (4.71523s) started
T25 << 1462745256.08304310 Redistribute coefs (4.73260s) stopped
T25 >> 1462745256.08309102 Send coefs to domains (52.86357s) started
T25 << 1462745256.16921401 Send coefs to domains (52.94969s) stopped
T25 << 1462745256.16985011 Blacs Orbital Layouts (13996.54179s) stopped
T25 >> 1462745256.16987801 Calculate projections (1204.22702s) started
T25 << 1462745260.98927498 Calculate projections (1209.04642s) stopped
T25 << 1462745260.98966503 LCAO eigensolver (17374.08397s) stopped
T25 >> 1462745262.31509304 Density (3814.17332s) started
T25 >> 1462745262.31510711 Pseudo density (3117.03361s) started
T25 >> 1462745262.31773090 Calculate density matrix (2747.66546s) started
T25 << 1462745275.15815210 Calculate density matrix (2760.50588s) stopped
T25 >> 1462745275.15821195 Construct density (360.03389s) started
T25 << 1462745276.80384898 Construct density (361.67953s) stopped
T25 >> 1462745276.83435202 Symmetrize density (0.01744s) started
T25 << 1462745276.83443999 Symmetrize density (0.01752s) stopped
T25 << 1462745276.83681798 Pseudo density (3131.55532s) stopped
T25 >> 1462745276.83687305 Atomic density matrices (579.93456s) started
T25 << 1462745279.50435305 Atomic density matrices (582.60204s) stopped
T25 >> 1462745279.50440407 Multipole moments (2.06002s) started
T25 << 1462745279.51851106 Multipole moments (2.07413s) stopped
T25 >> 1462745279.51856995 Normalize (1.86168s) started
T25 << 1462745279.52772689 Normalize (1.87084s) stopped
T25 >> 1462745279.52781510 Mix (113.25836s) started
T25 << 1462745280.05092406 Mix (113.78147s) stopped
T25 << 1462745280.05099797 Density (3831.90923s) stopped
T25 >> 1462745280.05111504 Hamiltonian (21658.99157s) started
T25 >> 1462745280.05113196 vbar (6.21234s) started
T25 << 1462745280.07294106 vbar (6.23415s) stopped
T25 >> 1462745280.07304811 XC 3D grid (17119.91123s) started
T25 >> 1462745280.50185108 van der Waals (16900.94335s) started
T25 >> 1462745280.62394905 semilocal (9660.38563s) started
T25 << 1462745286.98208690 semilocal (9666.74377s) stopped
T25 >> 1462745287.11367607 redistribute (2991.09274s) started
T25 << 1462745288.80620193 redistribute (2992.78526s) stopped
T25 >> 1462745288.80624700 libvdwxc nonlocal (4203.15465s) started
T25 << 1462745308.05655193 libvdwxc nonlocal (4222.40496s) stopped
T25 >> 1462745308.05661893 redistribute (2992.78530s) started
T25 << 1462745309.72229910 redistribute (2994.45098s) stopped
T25 << 1462745309.72374010 van der Waals (16930.16523s) stopped
T25 << 1462745310.20971799 XC 3D grid (17150.04790s) stopped
T25 >> 1462745310.20976591 Poisson (1863.40500s) started
T25 << 1462745315.99733710 Poisson (1869.19257s) stopped
T25 >> 1462745315.99740601 Hartree integrate/restrict (85.46752s) started
T25 << 1462745316.05501199 Hartree integrate/restrict (85.52512s) stopped
T25 >> 1462745316.05509996 Hartree integrate/restrict (85.52518s) started
T25 << 1462745316.37490797 Hartree integrate/restrict (85.84499s) stopped
T25 >> 1462745316.42933702 Atomic (2197.88864s) started
T25 >> 1462745316.44819188 XC Correction (1711.04193s) started
T25 << 1462745326.89142489 XC Correction (1721.48516s) stopped
T25 << 1462745330.46596503 Atomic (2211.92526s) stopped
T25 >> 1462745330.46629405 Communicate (373.55244s) started
T25 << 1462745330.46669793 Communicate (373.55284s) stopped
T25 << 1462745330.46672106 Hamiltonian (21709.40717s) stopped
T25 >> 1462745330.46682000 LCAO eigensolver (17374.08399s) started
T25 >> 1462745330.46683407 Potential matrix (585.43984s) started
T25 << 1462745332.87331390 Potential matrix (587.84632s) stopped
T25 >> 1462745332.87340307 DistributedAtomicCorrection (244.19106s) started
T25 << 1462745333.92551208 DistributedAtomicCorrection (245.24316s) stopped
T25 >> 1462745333.92555594 Distribute overlap matrix (1337.43933s) started
T25 >> 1462745333.92560196 blocked summation (1307.68700s) started
T25 << 1462745339.74082303 blocked summation (1313.50222s) stopped
T25 >> 1462745339.74980497 Scalapack redistribute (27.41047s) started
T25 << 1462745339.85205507 Scalapack redistribute (27.51272s) stopped
T25 << 1462745339.85215402 Distribute overlap matrix (1343.36593s) stopped
T25 >> 1462745339.85782504 Blacs Orbital Layouts (13996.54181s) started
T25 >> 1462745339.86589694 General diagonalize (13936.66828s) started
T25 << 1462745399.92971992 General diagonalize (13996.73211s) stopped
T25 >> 1462745399.92976403 Redistribute coefs (4.73264s) started
T25 << 1462745399.94574308 Redistribute coefs (4.74862s) stopped
T25 >> 1462745399.94578505 Send coefs to domains (52.94972s) started
T25 << 1462745400.09154606 Send coefs to domains (53.09548s) stopped
T25 << 1462745400.09213305 Blacs Orbital Layouts (14056.77611s) stopped
T25 >> 1462745400.09216189 Calculate projections (1209.04646s) started
T25 << 1462745404.93750691 Calculate projections (1213.89181s) stopped
T25 << 1462745404.93773103 LCAO eigensolver (17448.55490s) stopped
T25 >> 1462745406.26140904 Density (3831.90924s) started
T25 >> 1462745406.26142406 Pseudo density (3131.55536s) started
T25 >> 1462745406.26288295 Calculate density matrix (2760.50592s) started
T25 << 1462745419.11853099 Calculate density matrix (2773.36157s) stopped
T25 >> 1462745419.11858606 Construct density (361.67958s) started
T25 << 1462745420.75328588 Construct density (363.31428s) stopped
T25 >> 1462745420.76520395 Symmetrize density (0.01754s) started
T25 << 1462745420.76526904 Symmetrize density (0.01761s) stopped
T25 << 1462745420.76736593 Pseudo density (3146.06130s) stopped
T25 >> 1462745420.76742506 Atomic density matrices (582.60207s) started
T25 << 1462745423.46595502 Atomic density matrices (585.30060s) stopped
T25 >> 1462745423.46601105 Multipole moments (2.07415s) started
T25 << 1462745423.47449994 Multipole moments (2.08264s) stopped
T25 >> 1462745423.47455907 Normalize (1.87091s) started
T25 << 1462745423.48129296 Normalize (1.87764s) stopped
T25 >> 1462745423.48138809 Mix (113.78154s) started
T25 << 1462745424.06431890 Mix (114.36447s) stopped
T25 << 1462745424.06437993 Density (3849.71221s) stopped
T25 >> 1462745424.06447411 Hamiltonian (21709.40719s) started
T25 >> 1462745424.06449008 vbar (6.23420s) started
T25 << 1462745424.08300996 vbar (6.25272s) stopped
T25 >> 1462745424.08311009 XC 3D grid (17150.04794s) started
T25 >> 1462745424.55448508 van der Waals (16930.16533s) started
T25 >> 1462745424.68623996 semilocal (9666.74389s) started
T25 << 1462745431.82319307 semilocal (9673.88085s) stopped
T25 >> 1462745431.90116906 redistribute (2994.45106s) started
T25 << 1462745432.88285494 redistribute (2995.43275s) stopped
T25 >> 1462745432.88289690 libvdwxc nonlocal (4222.40501s) started
T25 << 1462745451.76315808 libvdwxc nonlocal (4241.28527s) stopped
T25 >> 1462745451.76320910 redistribute (2995.43278s) started
T25 << 1462745454.77203989 redistribute (2998.44161s) stopped
T25 << 1462745454.77364612 van der Waals (16960.38449s) stopped
T25 << 1462745455.26693702 XC 3D grid (17181.23176s) stopped
T25 >> 1462745455.26698208 Poisson (1869.19262s) started
T25 << 1462745461.04530501 Poisson (1874.97095s) stopped
T25 >> 1462745461.04536605 Hartree integrate/restrict (85.84505s) started
T25 << 1462745461.08498311 Hartree integrate/restrict (85.88467s) stopped
T25 >> 1462745461.08504796 Hartree integrate/restrict (85.88471s) started
T25 << 1462745461.43183708 Hartree integrate/restrict (86.23149s) stopped
T25 >> 1462745461.48931289 Atomic (2211.92529s) started
T25 >> 1462745461.50825691 XC Correction (1721.48519s) started
T25 << 1462745471.51372290 XC Correction (1731.49066s) stopped
T25 << 1462745474.89980698 Atomic (2225.33578s) stopped
T25 >> 1462745474.90014005 Communicate (373.55285s) started
T25 << 1462745475.09736991 Communicate (373.75008s) stopped
T25 << 1462745475.09739590 Hamiltonian (21760.44011s) stopped
T25 >> 1462745475.09750009 LCAO eigensolver (17448.55492s) started
T25 >> 1462745475.09751606 Potential matrix (587.84637s) started
T25 << 1462745477.50972795 Potential matrix (590.25859s) stopped
T25 >> 1462745477.50982690 DistributedAtomicCorrection (245.24320s) started
T25 << 1462745478.54484892 DistributedAtomicCorrection (246.27822s) stopped
T25 >> 1462745478.54489708 Distribute overlap matrix (1343.36595s) started
T25 >> 1462745478.54494500 blocked summation (1313.50225s) started
T25 << 1462745484.23743105 blocked summation (1319.19474s) stopped
T25 >> 1462745484.24669600 Scalapack redistribute (27.51278s) started
T25 << 1462745484.34858108 Scalapack redistribute (27.61467s) stopped
T25 << 1462745484.34864306 Distribute overlap matrix (1349.16969s) stopped
T25 >> 1462745484.35396910 Blacs Orbital Layouts (14056.77614s) started
T25 >> 1462745484.36178493 General diagonalize (13996.73214s) started
T25 << 1462745539.83092308 General diagonalize (14052.20128s) stopped
T25 >> 1462745539.83097005 Redistribute coefs (4.74865s) started
T25 << 1462745539.84803891 Redistribute coefs (4.76572s) stopped
T25 >> 1462745539.84808111 Send coefs to domains (53.09552s) started
T25 << 1462745540.02540398 Send coefs to domains (53.27284s) stopped
T25 << 1462745540.02606392 Blacs Orbital Layouts (14112.44823s) stopped
T25 >> 1462745540.02612710 Calculate projections (1213.89187s) started
T25 << 1462745544.88499093 Calculate projections (1218.75073s) stopped
T25 << 1462745544.88517594 LCAO eigensolver (17518.34259s) stopped
T25 >> 1462745547.19038391 Density (3849.71223s) started
T25 >> 1462745547.19039893 Pseudo density (3146.06135s) started
T25 >> 1462745547.19214892 Calculate density matrix (2773.36160s) started
T25 << 1462745559.87765193 Calculate density matrix (2786.04711s) stopped
T25 >> 1462745559.87770510 Construct density (363.31434s) started
T25 << 1462745561.51827693 Construct density (364.95491s) stopped
T25 >> 1462745561.53033304 Symmetrize density (0.01763s) started
T25 << 1462745561.53039694 Symmetrize density (0.01769s) stopped
T25 << 1462745561.53249407 Pseudo density (3160.40345s) stopped
T25 >> 1462745561.53255296 Atomic density matrices (585.30063s) started
T25 << 1462745564.24635410 Atomic density matrices (588.01443s) stopped
T25 >> 1462745564.24640489 Multipole moments (2.08266s) started
T25 << 1462745564.25848198 Multipole moments (2.09473s) stopped
T25 >> 1462745564.25854111 Normalize (1.87772s) started
T25 << 1462745564.26536107 Normalize (1.88454s) stopped
T25 >> 1462745564.26544094 Mix (114.36453s) started
T25 << 1462745564.82510495 Mix (114.92420s) stopped
T25 << 1462745564.82516599 Density (3867.34701s) stopped
T25 >> 1462745564.82526588 Hamiltonian (21760.44012s) started
T25 >> 1462745564.82528305 vbar (6.25278s) started
T25 << 1462745564.85188389 vbar (6.27938s) stopped
T25 >> 1462745564.85200000 XC 3D grid (17181.23180s) started
T25 >> 1462745565.42024994 van der Waals (16960.38458s) started
T25 >> 1462745565.55309606 semilocal (9673.88093s) started
T25 << 1462745572.30943203 semilocal (9680.63727s) stopped
T25 >> 1462745572.39927602 redistribute (2998.44170s) started
T25 << 1462745573.57808495 redistribute (2999.62051s) stopped
T25 >> 1462745573.57812691 libvdwxc nonlocal (4241.28531s) started
T25 << 1462745592.42839909 libvdwxc nonlocal (4260.13558s) stopped
T25 >> 1462745592.42847204 redistribute (2999.62055s) started
T25 << 1462745594.33281302 redistribute (3001.52489s) stopped
T25 << 1462745594.33430600 van der Waals (16989.29863s) stopped
T25 << 1462745594.84575391 XC 3D grid (17211.22555s) stopped
T25 >> 1462745594.84580398 Poisson (1874.97099s) started
T25 << 1462745600.74175596 Poisson (1880.86694s) stopped
T25 >> 1462745600.74186993 Hartree integrate/restrict (86.23155s) started
T25 << 1462745600.78073192 Hartree integrate/restrict (86.27041s) stopped
T25 >> 1462745600.78089094 Hartree integrate/restrict (86.27053s) started
T25 << 1462745601.18218207 Hartree integrate/restrict (86.67182s) stopped
T25 >> 1462745601.24049091 Atomic (2225.33581s) started
T25 >> 1462745601.25923109 XC Correction (1731.49069s) started
T25 << 1462745611.05635405 XC Correction (1741.28781s) stopped
T25 << 1462745613.94877291 Atomic (2238.04409s) stopped
T25 >> 1462745613.94908905 Communicate (373.75010s) started
T25 << 1462745614.86015892 Communicate (374.66117s) stopped
T25 << 1462745614.86018491 Hamiltonian (21810.47504s) stopped
T25 >> 1462745614.86030102 LCAO eigensolver (17518.34261s) started
T25 >> 1462745614.86031699 Potential matrix (590.25864s) started
T25 << 1462745617.27284193 Potential matrix (592.67117s) stopped
T25 >> 1462745617.27294207 DistributedAtomicCorrection (246.27826s) started
T25 << 1462745618.31236410 DistributedAtomicCorrection (247.31768s) stopped
T25 >> 1462745618.31241393 Distribute overlap matrix (1349.16971s) started
T25 >> 1462745618.31249404 blocked summation (1319.19477s) started
T25 << 1462745624.02075791 blocked summation (1324.90303s) stopped
T25 >> 1462745624.03112292 Scalapack redistribute (27.61471s) started
T25 << 1462745624.16357088 Scalapack redistribute (27.74715s) stopped
T25 << 1462745624.16368198 Distribute overlap matrix (1355.02097s) stopped
T25 >> 1462745624.17044806 Blacs Orbital Layouts (14112.44828s) started
T25 >> 1462745624.17883396 General diagonalize (14052.20132s) started
T25 << 1462745684.35551310 General diagonalize (14112.37800s) stopped
T25 >> 1462745684.35555911 Redistribute coefs (4.76575s) started
T25 << 1462745684.38030505 Redistribute coefs (4.79050s) stopped
T25 >> 1462745684.38035107 Send coefs to domains (53.27288s) started
T25 << 1462745685.02139306 Send coefs to domains (53.91392s) stopped
T25 << 1462745685.02187991 Blacs Orbital Layouts (14173.29972s) stopped
T25 >> 1462745685.02190900 Calculate projections (1218.75079s) started
T25 << 1462745689.86454606 Calculate projections (1223.59343s) stopped
T25 << 1462745689.86486101 LCAO eigensolver (17593.34717s) stopped
T25 >> 1462745691.99875212 Density (3867.34702s) started
T25 >> 1462745691.99876690 Pseudo density (3160.40350s) started
T25 >> 1462745692.00031996 Calculate density matrix (2786.04714s) started
T25 << 1462745704.74050212 Calculate density matrix (2798.78732s) stopped
T25 >> 1462745704.74055910 Construct density (364.95496s) started
T25 << 1462745706.37575793 Construct density (366.59016s) stopped
T25 >> 1462745706.46365404 Symmetrize density (0.01771s) started
T25 << 1462745706.46371698 Symmetrize density (0.01777s) stopped
T25 << 1462745706.46578312 Pseudo density (3174.87051s) stopped
T25 >> 1462745706.46584296 Atomic density matrices (588.01445s) started
T25 << 1462745709.09367394 Atomic density matrices (590.64228s) stopped
T25 >> 1462745709.09372401 Multipole moments (2.09475s) started
T25 << 1462745709.10412693 Multipole moments (2.10515s) stopped
T25 >> 1462745709.10418606 Normalize (1.88459s) started
T25 << 1462745709.11087203 Normalize (1.89128s) stopped
T25 >> 1462745709.11100101 Mix (114.92425s) started
T25 << 1462745709.62002611 Mix (115.43328s) stopped
T25 << 1462745709.62008500 Density (3884.96835s) stopped
T25 >> 1462745709.62018204 Hamiltonian (21810.47505s) started
T25 >> 1462745709.62019706 vbar (6.27944s) started
T25 << 1462745709.64830995 vbar (6.30755s) stopped
T25 >> 1462745709.64853096 XC 3D grid (17211.22559s) started
T25 >> 1462745710.16417694 van der Waals (16989.29872s) started
T25 >> 1462745710.29500198 semilocal (9680.63736s) started
T25 << 1462745881.64095402 semilocal (9851.98331s) stopped
T25 >> 1462745881.74906993 redistribute (3001.52493s) started
T25 << 1462745882.85498810 redistribute (3002.63085s) stopped
T25 >> 1462745882.85503197 libvdwxc nonlocal (4260.13563s) started
T25 << 1462745901.69684196 libvdwxc nonlocal (4278.97744s) stopped
T25 >> 1462745901.69691300 redistribute (3002.63088s) started
T25 << 1462745903.63259411 redistribute (3004.56656s) stopped
T25 << 1462745903.63451791 van der Waals (17182.76906s) stopped
T25 << 1462745904.11719394 XC 3D grid (17405.69426s) stopped
T25 >> 1462745904.11723709 Poisson (1880.86703s) started
T25 << 1462745908.72620893 Poisson (1885.47600s) stopped
T25 >> 1462745908.72627211 Hartree integrate/restrict (86.67188s) started
T25 << 1462745908.76815891 Hartree integrate/restrict (86.71376s) stopped
T25 >> 1462745908.76822901 Hartree integrate/restrict (86.71381s) started
T25 << 1462745909.10637403 Hartree integrate/restrict (87.05195s) stopped
T25 >> 1462745909.16616988 Atomic (2238.04411s) started
T25 >> 1462745909.18509412 XC Correction (1741.28784s) started
T25 << 1462745918.99478292 XC Correction (1751.09753s) stopped
T25 << 1462745921.68060493 Atomic (2250.55855s) stopped
T25 >> 1462745921.68087602 Communicate (374.66119s) started
T25 << 1462745922.83450007 Communicate (375.81481s) stopped
T25 << 1462745922.83452606 Hamiltonian (22023.68939s) stopped
T25 >> 1462745922.83463311 LCAO eigensolver (17593.34719s) started
T25 >> 1462745922.83464909 Potential matrix (592.67122s) started
T25 << 1462745925.24559498 Potential matrix (595.08217s) stopped
T25 >> 1462745925.24569702 DistributedAtomicCorrection (247.31773s) started
T25 << 1462745926.26599193 DistributedAtomicCorrection (248.33802s) stopped
T25 >> 1462745926.26604390 Distribute overlap matrix (1355.02099s) started
T25 >> 1462745926.26608491 blocked summation (1324.90307s) started
T25 << 1462745931.98881507 blocked summation (1330.62580s) stopped
T25 >> 1462745931.99863601 Scalapack redistribute (27.74722s) started
T25 << 1462745932.08261895 Scalapack redistribute (27.83120s) stopped
T25 << 1462745932.08275199 Distribute overlap matrix (1360.83770s) stopped
T25 >> 1462745932.08723092 Blacs Orbital Layouts (14173.29974s) started
T25 >> 1462745932.09515095 General diagonalize (14112.37803s) started
T25 << 1462745990.57115412 General diagonalize (14170.85403s) stopped
T25 >> 1462745990.57120204 Redistribute coefs (4.79053s) started
T25 << 1462745990.58810902 Redistribute coefs (4.80743s) stopped
T25 >> 1462745990.58814907 Send coefs to domains (53.91396s) started
T25 << 1462745990.71491790 Send coefs to domains (54.04072s) stopped
T25 << 1462745990.71537709 Blacs Orbital Layouts (14231.92788s) stopped
T25 >> 1462745990.71540904 Calculate projections (1223.59348s) started
T25 << 1462745995.57179689 Calculate projections (1228.44987s) stopped
T25 << 1462745995.57212210 LCAO eigensolver (17666.08467s) stopped
T25 >> 1462745997.29089403 Density (3884.96837s) started
T25 >> 1462745997.29090905 Pseudo density (3174.87056s) started
T25 >> 1462745997.29242611 Calculate density matrix (2798.78736s) started
T25 << 1462746010.11427212 Calculate density matrix (2811.60921s) stopped
T25 >> 1462746010.11432695 Construct density (366.59022s) started
T25 << 1462746011.75579596 Construct density (368.23169s) stopped
T25 >> 1462746011.76814699 Symmetrize density (0.01779s) started
T25 << 1462746011.76821208 Symmetrize density (0.01785s) stopped
T25 << 1462746011.77030802 Pseudo density (3189.34996s) stopped
T25 >> 1462746011.77036905 Atomic density matrices (590.64231s) started
T25 << 1462746014.48559499 Atomic density matrices (593.35754s) stopped
T25 >> 1462746014.48564601 Multipole moments (2.10517s) started
T25 << 1462746014.49622011 Multipole moments (2.11574s) stopped
T25 >> 1462746014.49627995 Normalize (1.89139s) started
T25 << 1462746014.50309110 Normalize (1.89820s) stopped
T25 >> 1462746014.50313807 Mix (115.43334s) started
T25 << 1462746015.06261301 Mix (115.99281s) stopped
T25 << 1462746015.06267190 Density (3902.74015s) stopped
T25 >> 1462746015.06276703 Hamiltonian (22023.68941s) started
T25 >> 1462746015.06278300 vbar (6.30768s) started
T25 << 1462746015.07961202 vbar (6.32451s) stopped
T25 >> 1462746015.07970095 XC 3D grid (17405.69429s) started
T25 >> 1462746015.66059089 van der Waals (17182.76915s) started
T25 >> 1462746015.79306889 semilocal (9851.98345s) started
T25 << 1462747166.50214291 semilocal (11002.69252s) stopped
T25 >> 1462747166.59499002 redistribute (3004.56664s) started
T25 << 1462747169.22348404 redistribute (3007.19513s) stopped
T25 >> 1462747169.22352600 libvdwxc nonlocal (4278.97750s) started
T25 << 1462747188.57180500 libvdwxc nonlocal (4298.32578s) stopped
T25 >> 1462747188.57187796 redistribute (3007.19517s) started
T25 << 1462747190.60801911 redistribute (3009.23131s) stopped
T25 << 1462747190.60981989 van der Waals (18357.71838s) stopped
T25 << 1462747191.09441590 XC 3D grid (18581.70900s) stopped
T25 >> 1462747191.09445810 Poisson (1885.47605s) started
T25 << 1462747195.52322412 Poisson (1889.90481s) stopped
T25 >> 1462747195.52333093 Hartree integrate/restrict (87.05201s) started
T25 << 1462747195.55880094 Hartree integrate/restrict (87.08748s) stopped
T25 >> 1462747195.55887008 Hartree integrate/restrict (87.08753s) started
T25 << 1462747195.92170095 Hartree integrate/restrict (87.45036s) stopped
T25 >> 1462747195.99586391 Atomic (2250.55857s) started
T25 >> 1462747196.01481009 XC Correction (1751.09756s) started
T25 << 1462747205.77394390 XC Correction (1760.85669s) stopped
T25 << 1462747208.55444002 Atomic (2263.11715s) stopped
T25 >> 1462747208.55475593 Communicate (375.81483s) started
T25 << 1462747209.63239408 Communicate (376.89246s) stopped
T25 << 1462747209.63242006 Hamiltonian (23218.25906s) stopped
T25 >> 1462747209.63252091 LCAO eigensolver (17666.08469s) started
T25 >> 1462747209.63253593 Potential matrix (595.08223s) started
T25 << 1462747212.05390096 Potential matrix (597.50359s) stopped
T25 >> 1462747212.05400610 DistributedAtomicCorrection (248.33806s) started
T25 << 1462747213.03920007 DistributedAtomicCorrection (249.32326s) stopped
T25 >> 1462747213.03930497 Distribute overlap matrix (1360.83771s) started
T25 >> 1462747213.03933001 blocked summation (1330.62583s) started
T25 << 1462747218.79829597 blocked summation (1336.38479s) stopped
T25 >> 1462747218.80754805 Scalapack redistribute (27.83130s) started
T25 << 1462747218.91722798 Scalapack redistribute (27.94098s) stopped
T25 << 1462747218.91733599 Distribute overlap matrix (1366.71574s) stopped
T25 >> 1462747218.92167091 Blacs Orbital Layouts (14231.92790s) started
T25 >> 1462747218.92968988 General diagonalize (14170.85407s) started
T25 << 1462747276.44430590 General diagonalize (14228.36869s) stopped
T25 >> 1462747276.44435096 Redistribute coefs (4.80746s) started
T25 << 1462747276.46167898 Redistribute coefs (4.82479s) stopped
T25 >> 1462747276.46172190 Send coefs to domains (54.04076s) started
T25 << 1462747276.60938597 Send coefs to domains (54.18842s) stopped
T25 << 1462747276.60985899 Blacs Orbital Layouts (14289.61609s) stopped
T25 >> 1462747276.60988808 Calculate projections (1228.44993s) started
T25 << 1462747281.46876693 Calculate projections (1233.30881s) stopped
T25 << 1462747281.46915603 LCAO eigensolver (17737.92133s) stopped
T25 << 1462747282.90581894 SCF-cycle (45184.00858s) stopped
T25 >> 1462747285.85597610 Force calculation (2172.45343s) started
T25 >> 1462747285.85605597 LCAO forces (1949.08018s) started
T25 >> 1462747285.85643697 Initial (0.00057s) started
T25 << 1462747285.85644698 Initial (0.00058s) stopped
T25 >> 1462747285.86288905 Get density matrix (910.92145s) started
T25 << 1462747295.28788304 Get density matrix (920.34644s) stopped
T25 >> 1462747295.28793001 Potential (309.83957s) started
T25 << 1462747307.87951493 Potential (322.43115s) stopped
T25 >> 1462747307.87957311 Get density matrix (920.34648s) started
T25 << 1462747334.89444709 Get density matrix (947.36135s) stopped
T25 >> 1462747334.89453197 Prepare TCI loop (60.93981s) started
T25 >> 1462747334.89516997 Get neighbors (55.24715s) started
T25 << 1462747337.12194991 Get neighbors (57.47393s) stopped
T25 >> 1462747337.12236500 broadcast dH (5.66166s) started
T25 << 1462747337.46852899 broadcast dH (6.00783s) stopped
T25 << 1462747337.46858311 Prepare TCI loop (63.51387s) stopped
T25 >> 1462747337.46860194 Not so complicated loop (260.97758s) started
T25 << 1462747348.10836005 Not so complicated loop (271.61734s) stopped
T25 >> 1462747348.22583294 Complicated loop (403.16730s) started
T25 << 1462747364.47888494 Complicated loop (419.42035s) stopped
T25 >> 1462747364.48156309 Wait for sum (0.00256s) started
T25 << 1462747364.48164606 Wait for sum (0.00265s) stopped
T25 << 1462747364.48166108 LCAO forces (2027.70578s) stopped
T25 << 1462747373.85915709 Force calculation (2260.45661s) stopped
T25 >> 1462747373.88038206 Initialization (3251.86681s) started
T25 << 1462747373.88060308 Initialization (3251.86703s) stopped
T25 >> 1462747373.88087392 Initialization (3251.86705s) started
T25 << 1462747373.88102698 Initialization (3251.86720s) stopped
T25 >> 1462747373.88117099 Initialization (3251.86721s) started
T25 << 1462747373.88131690 Initialization (3251.86736s) stopped
T25 >> 1462747397.24620700 Initialization (3251.86738s) started
T25 >> 1462747397.57472801 Basic WFS set positions (3.37570s) started
T25 >> 1462747397.57475305 Redistribute (0.28394s) started
T25 << 1462747397.57489204 Redistribute (0.28408s) stopped
T25 << 1462747397.72251296 Basic WFS set positions (3.52348s) stopped
T25 >> 1462747397.72254992 Basis functions set positions (51.97466s) started
T25 << 1462747399.97078991 Basis functions set positions (54.22290s) stopped
T25 >> 1462747399.97536111 TCI: Calculate S, T, P (640.83454s) started
T25 << 1462747426.55498695 TCI: Calculate S, T, P (667.41417s) stopped
T25 >> 1462747426.55510211 blocked summation (610.40877s) started
T25 << 1462747457.65885305 blocked summation (641.51252s) stopped
T25 >> 1462747457.67934704 Scalapack redistribute (6.87942s) started
T25 << 1462747457.79337502 Scalapack redistribute (6.99345s) stopped
T25 >> 1462747457.79435706 blocked summation (641.51256s) started
T25 << 1462747459.09122205 blocked summation (642.80942s) stopped
T25 >> 1462747459.10060310 Scalapack redistribute (6.99352s) started
T25 << 1462747459.40052605 Scalapack redistribute (7.29344s) stopped
T25 >> 1462747459.40411592 Redistribute (0.78649s) started
T25 << 1462747459.40537691 Redistribute (0.78775s) stopped
T25 >> 1462747461.25733805 Redistribute (0.78777s) started
T25 << 1462747461.25862408 Redistribute (0.78906s) stopped
T25 >> 1462747461.28932190 LCAO WFS Initialize (1872.62634s) started
T25 >> 1462747461.28934789 Density initialize from wavefunctions (370.56118s) started
T25 >> 1462747461.29243207 Calculate density matrix (252.80044s) started
T25 << 1462747471.29027200 Calculate density matrix (262.79828s) stopped
T25 >> 1462747471.29033089 Construct density (40.91250s) started
T25 << 1462747472.95458794 Construct density (42.57675s) stopped
T25 >> 1462747472.99891996 Symmetrize density (0.00195s) started
T25 << 1462747472.99898505 Symmetrize density (0.00201s) stopped
T25 << 1462747476.01324797 Density initialize from wavefunctions (385.28508s) stopped
T25 >> 1462747476.01411891 Hamiltonian (1501.03119s) started
T25 >> 1462747476.01414108 vbar (0.64176s) started
T25 << 1462747476.04724693 vbar (0.67486s) stopped
T25 >> 1462747476.04740405 XC 3D grid (777.26154s) started
T25 >> 1462747476.54464293 van der Waals (751.52859s) started
T25 >> 1462747476.67819500 semilocal (170.57692s) started
T25 << 1462747483.75082588 semilocal (177.64955s) stopped
T25 >> 1462747483.81939411 redistribute (78.94193s) started
T25 << 1462747484.73457193 redistribute (79.85711s) stopped
T25 >> 1462747484.73466706 libvdwxc nonlocal (496.73428s) started
T25 << 1462747503.80706811 libvdwxc nonlocal (515.80668s) stopped
T25 >> 1462747503.80714297 redistribute (79.85714s) started
T25 << 1462747505.85823298 redistribute (81.90823s) stopped
T25 << 1462747505.85999799 van der Waals (780.84394s) stopped
T25 << 1462747506.35391903 XC 3D grid (807.56805s) stopped
T25 >> 1462747506.35396290 Poisson (383.80451s) started
T25 << 1462747518.15578890 Poisson (395.60634s) stopped
T25 >> 1462747518.15592599 Hartree integrate/restrict (10.30459s) started
T25 << 1462747518.18516207 Hartree integrate/restrict (10.33382s) stopped
T25 >> 1462747518.18530703 Hartree integrate/restrict (10.33393s) started
T25 << 1462747518.55752707 Hartree integrate/restrict (10.70615s) stopped
T25 >> 1462747518.64364290 Atomic (304.29598s) started
T25 >> 1462747518.66301394 XC Correction (229.61376s) started
T25 << 1462747529.07661796 XC Correction (240.02736s) stopped
T25 << 1462747533.15834188 Atomic (318.81068s) stopped
T25 >> 1462747533.15880394 Communicate (23.12365s) started
T25 << 1462747533.15896893 Communicate (23.12382s) stopped
T25 << 1462747533.15899396 Hamiltonian (1558.17606s) stopped
T25 << 1462747533.15905905 LCAO WFS Initialize (1944.49607s) stopped
T25 << 1462747533.17157197 Initialization (3387.79274s) stopped
T25 >> 1462747533.20168495 SCF-cycle (45184.00861s) started
T25 >> 1462747533.20173812 LCAO eigensolver (17737.92135s) started
T25 >> 1462747533.20175195 Potential matrix (597.50365s) started
T25 << 1462747535.60858107 Potential matrix (599.91048s) stopped
T25 >> 1462747535.60868096 DistributedAtomicCorrection (249.32330s) started
T25 << 1462747536.69059396 DistributedAtomicCorrection (250.40521s) stopped
T25 >> 1462747536.69064498 Distribute overlap matrix (1366.71575s) started
T25 >> 1462747536.69069910 blocked summation (1336.38483s) started
T25 << 1462747542.46891904 blocked summation (1342.16305s) stopped
T25 >> 1462747542.47757411 Scalapack redistribute (27.94104s) started
T25 << 1462747542.56661701 Scalapack redistribute (28.03008s) stopped
T25 << 1462747542.56675100 Distribute overlap matrix (1372.59186s) stopped
T25 >> 1462747542.57098603 Blacs Orbital Layouts (14289.61611s) started
T25 >> 1462747542.57878399 General diagonalize (14228.36872s) started
T25 << 1462747600.58492303 General diagonalize (14286.37486s) stopped
T25 >> 1462747600.58497000 Redistribute coefs (4.82482s) started
T25 << 1462747600.60175300 Redistribute coefs (4.84161s) stopped
T25 >> 1462747600.60179496 Send coefs to domains (54.18846s) started
T25 << 1462747601.00833702 Send coefs to domains (54.59500s) stopped
T25 << 1462747601.00903201 Blacs Orbital Layouts (14348.05416s) stopped
T25 >> 1462747601.00906110 Calculate projections (1233.30888s) started
T25 << 1462747605.82677293 Calculate projections (1238.12659s) stopped
T25 << 1462747605.82698298 LCAO eigensolver (17810.54659s) stopped
T25 >> 1462747607.13749290 Density (3902.74016s) started
T25 >> 1462747607.13750792 Pseudo density (3189.35001s) started
T25 >> 1462747607.14011407 Calculate density matrix (2811.60924s) started
T25 << 1462747619.92289400 Calculate density matrix (2824.39202s) stopped
T25 >> 1462747619.92295194 Construct density (368.23174s) started
T25 << 1462747621.57858801 Construct density (369.88738s) stopped
T25 >> 1462747621.64803505 Symmetrize density (0.01787s) started
T25 << 1462747621.64809704 Symmetrize density (0.01794s) stopped
T25 << 1462747621.65046811 Pseudo density (3203.86297s) stopped
T25 >> 1462747621.65052295 Atomic density matrices (593.35756s) started
T25 << 1462747624.27506399 Atomic density matrices (595.98210s) stopped
T25 >> 1462747624.27511597 Multipole moments (2.11576s) started
T25 << 1462747624.28721404 Multipole moments (2.12786s) stopped
T25 >> 1462747624.28727508 Normalize (1.89823s) started
T25 << 1462747624.30067396 Normalize (1.91163s) stopped
T25 >> 1462747624.30074096 Mix (115.99287s) started
T25 << 1462747624.77027893 Mix (116.46241s) stopped
T25 << 1462747624.77038002 Density (3920.37305s) stopped
T25 >> 1462747624.77055311 Hamiltonian (23218.25907s) started
T25 >> 1462747624.77057409 vbar (6.32456s) started
T25 << 1462747624.79236007 vbar (6.34634s) stopped
T25 >> 1462747624.79246211 XC 3D grid (18581.70904s) started
T25 >> 1462747625.30051899 van der Waals (18357.71847s) started
T25 >> 1462747625.43392205 semilocal (11002.69259s) started
T25 << 1462747631.89780402 semilocal (11009.15648s) stopped
T25 >> 1462747632.00963712 redistribute (3009.23141s) started
T25 << 1462747633.57218909 redistribute (3010.79396s) stopped
T25 >> 1462747633.57223392 libvdwxc nonlocal (4298.32583s) started
T25 << 1462747652.19671202 libvdwxc nonlocal (4316.95031s) stopped
T25 >> 1462747652.19677997 redistribute (3010.79400s) started
T25 << 1462747653.90035701 redistribute (3012.49757s) stopped
T25 << 1462747653.90264702 van der Waals (18386.32060s) stopped
T25 << 1462747654.39830399 XC 3D grid (18611.31488s) stopped
T25 >> 1462747654.39834809 Poisson (1889.90490s) started
T25 << 1462747660.11986804 Poisson (1895.62642s) stopped
T25 >> 1462747660.11998606 Hartree integrate/restrict (87.45043s) started
T25 << 1462747660.16911292 Hartree integrate/restrict (87.49955s) stopped
T25 >> 1462747660.16915894 Hartree integrate/restrict (87.49958s) started
T25 << 1462747660.48513293 Hartree integrate/restrict (87.81556s) stopped
T25 >> 1462747660.54573703 Atomic (2263.11717s) started
T25 >> 1462747660.56443095 XC Correction (1760.85672s) started
T25 << 1462747670.76207304 XC Correction (1771.05437s) stopped
T25 << 1462747674.78678012 Atomic (2277.35821s) stopped
T25 >> 1462747674.78712511 Communicate (376.89248s) started
T25 << 1462747674.78733492 Communicate (376.89269s) stopped
T25 << 1462747674.78735900 Hamiltonian (23268.27588s) stopped
T25 >> 1462747674.78745890 LCAO eigensolver (17810.54661s) started
T25 >> 1462747674.78747392 Potential matrix (599.91053s) started
T25 << 1462747677.18950295 Potential matrix (602.31256s) stopped
T25 >> 1462747677.18959188 DistributedAtomicCorrection (250.40525s) started
T25 << 1462747678.25729704 DistributedAtomicCorrection (251.47296s) stopped
T25 >> 1462747678.25740099 Distribute overlap matrix (1372.59188s) started
T25 >> 1462747678.25742412 blocked summation (1342.16308s) started
T25 << 1462747684.05496407 blocked summation (1347.96062s) stopped
T25 >> 1462747684.06469297 Scalapack redistribute (28.03016s) started
T25 << 1462747684.17843294 Scalapack redistribute (28.14390s) stopped
T25 << 1462747684.17851400 Distribute overlap matrix (1378.51299s) stopped
T25 >> 1462747684.18357611 Blacs Orbital Layouts (14348.05418s) started
T25 >> 1462747684.19206691 General diagonalize (14286.37490s) started
T25 << 1462747741.74475098 General diagonalize (14343.92759s) stopped
T25 >> 1462747741.74480009 Redistribute coefs (4.84164s) started
T25 << 1462747741.77200103 Redistribute coefs (4.86884s) stopped
T25 >> 1462747741.77203894 Send coefs to domains (54.59504s) started
T25 << 1462747742.03750610 Send coefs to domains (54.86050s) stopped
T25 << 1462747742.03804588 Blacs Orbital Layouts (14405.90865s) stopped
T25 >> 1462747742.03807402 Calculate projections (1238.12664s) started
T25 << 1462747746.88735604 Calculate projections (1242.97592s) stopped
T25 << 1462747746.88803101 LCAO eigensolver (17882.64718s) stopped
T25 >> 1462747748.17236090 Density (3920.37306s) started
T25 >> 1462747748.17237496 Pseudo density (3203.86301s) started
T25 >> 1462747748.17382097 Calculate density matrix (2824.39206s) started
T25 << 1462747760.98400688 Calculate density matrix (2837.20225s) stopped
T25 >> 1462747760.98406410 Construct density (369.88743s) started
T25 << 1462747762.63347411 Construct density (371.53684s) stopped
T25 >> 1462747762.67961788 Symmetrize density (0.01795s) started
T25 << 1462747762.67968392 Symmetrize density (0.01802s) stopped
T25 << 1462747762.68176603 Pseudo density (3218.37240s) stopped
T25 >> 1462747762.68182611 Atomic density matrices (595.98213s) started
T25 << 1462747765.35095406 Atomic density matrices (598.65126s) stopped
T25 >> 1462747765.35101008 Multipole moments (2.12787s) started
T25 << 1462747765.36048198 Multipole moments (2.13735s) stopped
T25 >> 1462747765.36054206 Normalize (1.91168s) started
T25 << 1462747765.36825299 Normalize (1.91939s) stopped
T25 >> 1462747765.36830592 Mix (116.46250s) started
T25 << 1462747765.86024189 Mix (116.95444s) stopped
T25 << 1462747765.86028910 Density (3938.06099s) stopped
T25 >> 1462747765.86042690 Hamiltonian (23268.27589s) started
T25 >> 1462747765.86044693 vbar (6.34640s) started
T25 << 1462747765.88935494 vbar (6.37531s) stopped
T25 >> 1462747765.88950801 XC 3D grid (18611.31491s) started
T25 >> 1462747766.38442993 van der Waals (18386.32066s) started
T25 >> 1462747766.51069903 semilocal (11009.15660s) started
T25 << 1462747773.15213299 semilocal (11015.79804s) stopped
T25 >> 1462747773.25843191 redistribute (3012.49768s) started
T25 << 1462747774.49476695 redistribute (3013.73402s) stopped
T25 >> 1462747774.49480891 libvdwxc nonlocal (4316.95036s) started
T25 << 1462747793.18975592 libvdwxc nonlocal (4335.64531s) stopped
T25 >> 1462747793.18982410 redistribute (3013.73405s) started
T25 << 1462747795.10487008 redistribute (3015.64910s) stopped
T25 << 1462747795.10741496 van der Waals (18415.04365s) stopped
T25 << 1462747795.59083509 XC 3D grid (18641.01624s) stopped
T25 >> 1462747795.59087706 Poisson (1895.62651s) started
T25 << 1462747801.35530305 Poisson (1901.39094s) stopped
T25 >> 1462747801.35544610 Hartree integrate/restrict (87.81564s) started
T25 << 1462747801.39478588 Hartree integrate/restrict (87.85498s) stopped
T25 >> 1462747801.39492607 Hartree integrate/restrict (87.85508s) started
T25 << 1462747801.74525189 Hartree integrate/restrict (88.20541s) stopped
T25 >> 1462747801.79508901 Atomic (2277.35824s) started
T25 >> 1462747801.81388211 XC Correction (1771.05439s) started
T25 << 1462747811.59396601 XC Correction (1780.83447s) stopped
T25 << 1462747815.47397399 Atomic (2291.03712s) stopped
T25 >> 1462747815.47431493 Communicate (376.89270s) started
T25 << 1462747815.80270600 Communicate (377.22110s) stopped
T25 << 1462747815.80273104 Hamiltonian (23318.21820s) stopped
T25 >> 1462747815.80284810 LCAO eigensolver (17882.64720s) started
T25 >> 1462747815.80286288 Potential matrix (602.31261s) started
T25 << 1462747818.21287704 Potential matrix (604.72263s) stopped
T25 >> 1462747818.21297503 DistributedAtomicCorrection (251.47299s) started
T25 << 1462747819.28422403 DistributedAtomicCorrection (252.54424s) stopped
T25 >> 1462747819.28432989 Distribute overlap matrix (1378.51304s) started
T25 >> 1462747819.28435612 blocked summation (1347.96065s) started
T25 << 1462747825.07943106 blocked summation (1353.75573s) stopped
T25 >> 1462747825.08868694 Scalapack redistribute (28.14397s) started
T25 << 1462747825.21261692 Scalapack redistribute (28.26790s) stopped
T25 << 1462747825.21269798 Distribute overlap matrix (1384.44140s) stopped
T25 >> 1462747825.21729589 Blacs Orbital Layouts (14405.90867s) started
T25 >> 1462747825.22556806 General diagonalize (14343.92762s) started
T25 << 1462747881.23168898 General diagonalize (14399.93375s) stopped
T25 >> 1462747881.23173594 Redistribute coefs (4.86887s) started
T25 << 1462747881.24818492 Redistribute coefs (4.88532s) stopped
T25 >> 1462747881.24822688 Send coefs to domains (54.86054s) started
T25 << 1462747881.33254004 Send coefs to domains (54.94485s) stopped
T25 << 1462747881.33302593 Blacs Orbital Layouts (14462.02440s) stopped
T25 >> 1462747881.33305597 Calculate projections (1242.97598s) started
T25 << 1462747886.17519403 Calculate projections (1247.81811s) stopped
T25 << 1462747886.17552495 LCAO eigensolver (17953.01988s) stopped
T25 >> 1462747887.51385903 Density (3938.06101s) started
T25 >> 1462747887.51387405 Pseudo density (3218.37245s) started
T25 >> 1462747887.51514196 Calculate density matrix (2837.20229s) started
T25 << 1462747900.34251308 Calculate density matrix (2850.02966s) stopped
T25 >> 1462747900.34257007 Construct density (371.53690s) started
T25 << 1462747901.99038196 Construct density (373.18471s) stopped
T25 >> 1462747902.00313091 Symmetrize density (0.01804s) started
T25 << 1462747902.00319600 Symmetrize density (0.01810s) stopped
T25 << 1462747902.00527596 Pseudo density (3232.86385s) stopped
T25 >> 1462747902.00533605 Atomic density matrices (598.65128s) started
T25 << 1462747904.71616197 Atomic density matrices (601.36211s) stopped
T25 >> 1462747904.71621394 Multipole moments (2.13736s) started
T25 << 1462747904.72732806 Multipole moments (2.14848s) stopped
T25 >> 1462747904.72738791 Normalize (1.91943s) started
T25 << 1462747904.73513389 Normalize (1.92717s) stopped
T25 >> 1462747904.73523998 Mix (116.95449s) started
T25 << 1462747905.22237611 Mix (117.44162s) stopped
T25 << 1462747905.22245502 Density (3955.76960s) stopped
T25 >> 1462747905.22257304 Hamiltonian (23318.21821s) started
T25 >> 1462747905.22258997 vbar (6.37540s) started
T25 << 1462747905.24235010 vbar (6.39516s) stopped
T25 >> 1462747905.24247289 XC 3D grid (18641.01627s) started
T25 >> 1462747905.80126500 van der Waals (18415.04376s) started
T25 >> 1462747905.92159605 semilocal (11015.79817s) started
T25 << 1462747912.38567996 semilocal (11022.26225s) stopped
T25 >> 1462747912.51197791 redistribute (3015.64924s) started
T25 << 1462747913.74382901 redistribute (3016.88109s) stopped
T25 >> 1462747913.74387097 libvdwxc nonlocal (4335.64536s) started
T25 << 1462747933.29008698 libvdwxc nonlocal (4355.19157s) stopped
T25 >> 1462747933.29015899 redistribute (3016.88112s) started
T25 << 1462747935.50078201 redistribute (3019.09175s) stopped
T25 << 1462747935.50272202 van der Waals (18444.74522s) stopped
T25 << 1462747935.99407005 XC 3D grid (18671.76787s) stopped
T25 >> 1462747935.99411201 Poisson (1901.39105s) started
T25 << 1462747941.89495397 Poisson (1907.29189s) stopped
T25 >> 1462747941.89507294 Hartree integrate/restrict (88.20545s) started
T25 << 1462747941.93318105 Hartree integrate/restrict (88.24356s) stopped
T25 >> 1462747941.93329692 Hartree integrate/restrict (88.24364s) started
T25 << 1462747942.30264711 Hartree integrate/restrict (88.61299s) stopped
T25 >> 1462747942.36313510 Atomic (2291.03715s) started
T25 >> 1462747942.38211012 XC Correction (1780.83450s) started
T25 << 1462747952.14305496 XC Correction (1790.59545s) stopped
T25 << 1462747955.32002711 Atomic (2303.99404s) stopped
T25 >> 1462747955.32036400 Communicate (377.22111s) started
T25 << 1462747956.38359499 Communicate (378.28434s) stopped
T25 << 1462747956.38362193 Hamiltonian (23369.37926s) stopped
T25 >> 1462747956.38374400 LCAO eigensolver (17953.01990s) started
T25 >> 1462747956.38375998 Potential matrix (604.72268s) started
T25 << 1462747958.79338098 Potential matrix (607.13230s) stopped
T25 >> 1462747958.79347897 DistributedAtomicCorrection (252.54428s) started
T25 << 1462747959.88844991 DistributedAtomicCorrection (253.63925s) stopped
T25 >> 1462747959.88855791 Distribute overlap matrix (1384.44142s) started
T25 >> 1462747959.88858390 blocked summation (1353.75576s) started
T25 << 1462747965.77157497 blocked summation (1359.63875s) stopped
T25 >> 1462747965.78165603 Scalapack redistribute (28.26795s) started
T25 << 1462747965.91714191 Scalapack redistribute (28.40344s) stopped
T25 << 1462747965.91719604 Distribute overlap matrix (1390.47005s) stopped
T25 >> 1462747965.92325807 Blacs Orbital Layouts (14462.02442s) started
T25 >> 1462747965.93167090 General diagonalize (14399.93378s) started
T25 << 1462748024.85312200 General diagonalize (14458.85523s) stopped
T25 >> 1462748024.85316706 Redistribute coefs (4.88535s) started
T25 << 1462748024.87989306 Redistribute coefs (4.91208s) stopped
T25 >> 1462748024.87993789 Send coefs to domains (54.94489s) started
T25 << 1462748025.03412008 Send coefs to domains (55.09907s) stopped
T25 << 1462748025.03472996 Blacs Orbital Layouts (14521.13589s) stopped
T25 >> 1462748025.03475809 Calculate projections (1247.81817s) started
T25 << 1462748029.88898492 Calculate projections (1252.67239s) stopped
T25 << 1462748029.88930702 LCAO eigensolver (18026.52546s) stopped
T25 >> 1462748031.20985889 Density (3955.76962s) started
T25 >> 1462748031.20987511 Pseudo density (3232.86390s) started
T25 >> 1462748031.21122789 Calculate density matrix (2850.02969s) started
T25 << 1462748044.11734509 Calculate density matrix (2862.93581s) stopped
T25 >> 1462748044.11740208 Construct density (373.18477s) started
T25 << 1462748045.77568603 Construct density (374.84305s) stopped
T25 >> 1462748045.78903604 Symmetrize density (0.01812s) started
T25 << 1462748045.78910303 Symmetrize density (0.01819s) stopped
T25 << 1462748045.79120207 Pseudo density (3247.44523s) stopped
T25 >> 1462748045.79126310 Atomic density matrices (601.36213s) started
T25 << 1462748048.46377802 Atomic density matrices (604.03465s) stopped
T25 >> 1462748048.46383095 Multipole moments (2.14849s) started
T25 << 1462748048.47662807 Multipole moments (2.16129s) stopped
T25 >> 1462748048.47669005 Normalize (1.92726s) started
T25 << 1462748048.48428988 Normalize (1.93486s) stopped
T25 >> 1462748048.48438907 Mix (117.44170s) started
T25 << 1462748049.03497195 Mix (117.99228s) stopped
T25 << 1462748049.03504491 Density (3973.59480s) stopped
T25 >> 1462748049.03519797 Hamiltonian (23369.37927s) started
T25 >> 1462748049.03521800 vbar (6.39523s) started
T25 << 1462748049.06116891 vbar (6.42118s) stopped
T25 >> 1462748049.06127810 XC 3D grid (18671.76790s) started
T25 >> 1462748049.52754593 van der Waals (18444.74530s) started
T25 >> 1462748049.66006398 semilocal (11022.26242s) started
T25 << 1462748056.22487903 semilocal (11028.82724s) stopped
T25 >> 1462748056.29582691 redistribute (3019.09187s) started
T25 << 1462748084.56201506 redistribute (3047.35806s) stopped
T25 >> 1462748084.56206107 libvdwxc nonlocal (4355.19163s) started
T25 << 1462748103.75094390 libvdwxc nonlocal (4374.38051s) stopped
T25 >> 1462748103.75100303 redistribute (3047.35810s) started
T25 << 1462748105.76881599 redistribute (3049.37591s) stopped
T25 << 1462748105.77086711 van der Waals (18500.98862s) stopped
T25 << 1462748106.26463103 XC 3D grid (18728.97125s) stopped
T25 >> 1462748106.26469493 Poisson (1907.29198s) started
T25 << 1462748110.67356110 Poisson (1911.70085s) stopped
T25 >> 1462748110.67362690 Hartree integrate/restrict (88.61306s) started
T25 << 1462748110.72010803 Hartree integrate/restrict (88.65955s) stopped
T25 >> 1462748110.72022700 Hartree integrate/restrict (88.65963s) started
T25 << 1462748111.05792499 Hartree integrate/restrict (88.99733s) stopped
T25 >> 1462748111.11595392 Atomic (2303.99406s) started
T25 >> 1462748111.13499403 XC Correction (1790.59548s) started
T25 << 1462748120.99467301 XC Correction (1800.45516s) stopped
T25 << 1462748123.83678603 Atomic (2316.71489s) stopped
T25 >> 1462748123.83705592 Communicate (378.28436s) started
T25 << 1462748125.16040802 Communicate (379.60771s) stopped
T25 << 1462748125.16043496 Hamiltonian (23445.50451s) stopped
T25 >> 1462748125.16054010 LCAO eigensolver (18026.52548s) started
T25 >> 1462748125.16055608 Potential matrix (607.13236s) started
T25 << 1462748127.57138705 Potential matrix (609.54319s) stopped
T25 >> 1462748127.57148504 DistributedAtomicCorrection (253.63930s) started
T25 << 1462748128.66535902 DistributedAtomicCorrection (254.73317s) stopped
T25 >> 1462748128.66546988 Distribute overlap matrix (1390.47007s) started
T25 >> 1462748128.66549611 blocked summation (1359.63878s) started
T25 << 1462748134.49029398 blocked summation (1365.46358s) stopped
T25 >> 1462748134.49943304 Scalapack redistribute (28.40348s) started
T25 << 1462748134.62298012 Scalapack redistribute (28.52702s) stopped
T25 << 1462748134.62306595 Distribute overlap matrix (1396.42766s) stopped
T25 >> 1462748134.62790704 Blacs Orbital Layouts (14521.13591s) started
T25 >> 1462748134.63778400 General diagonalize (14458.85527s) started
T25 << 1462748192.02791691 General diagonalize (14516.24540s) stopped
T25 >> 1462748192.02796412 Redistribute coefs (4.91211s) started
T25 << 1462748192.04470491 Redistribute coefs (4.92885s) stopped
T25 >> 1462748192.04474902 Send coefs to domains (55.09910s) started
T25 << 1462748192.30831695 Send coefs to domains (55.36267s) stopped
T25 << 1462748192.30882406 Blacs Orbital Layouts (14578.81683s) stopped
T25 >> 1462748192.30885196 Calculate projections (1252.67245s) started
T25 << 1462748197.15842700 Calculate projections (1257.52203s) stopped
T25 << 1462748197.15874696 LCAO eigensolver (18098.52369s) stopped
T25 >> 1462748198.48613310 Density (3973.59482s) started
T25 >> 1462748198.48614812 Pseudo density (3247.44528s) started
T25 >> 1462748198.48755503 Calculate density matrix (2862.93585s) started
T25 << 1462748211.34430099 Calculate density matrix (2875.79260s) stopped
T25 >> 1462748211.34435797 Construct density (374.84311s) started
T25 << 1462748212.99233508 Construct density (376.49109s) stopped
T25 >> 1462748213.00540495 Symmetrize density (0.01820s) started
T25 << 1462748213.00546694 Symmetrize density (0.01827s) stopped
T25 << 1462748213.00754189 Pseudo density (3261.96667s) stopped
T25 >> 1462748213.00760007 Atomic density matrices (604.03467s) started
T25 << 1462748215.68904710 Atomic density matrices (606.71612s) stopped
T25 >> 1462748215.68910003 Multipole moments (2.16131s) started
T25 << 1462748215.70041704 Multipole moments (2.17263s) stopped
T25 >> 1462748215.70047808 Normalize (1.93494s) started
T25 << 1462748215.70815301 Normalize (1.94261s) stopped
T25 >> 1462748215.70825791 Mix (117.99235s) started
T25 << 1462748216.25649500 Mix (118.54059s) stopped
T25 << 1462748216.25657892 Density (3991.36527s) stopped
T25 >> 1462748216.25671911 Hamiltonian (23445.50452s) started
T25 >> 1462748216.25673699 vbar (6.42124s) started
T25 << 1462748216.28789997 vbar (6.45240s) stopped
T25 >> 1462748216.28805709 XC 3D grid (18728.97131s) started
T25 >> 1462748216.77282405 van der Waals (18500.98872s) started
T25 >> 1462748216.89852190 semilocal (11028.82735s) started
T25 << 1462748767.44134808 semilocal (11579.37017s) stopped
T25 >> 1462748767.51872611 redistribute (3049.37604s) started
T25 << 1462748807.79536295 redistribute (3089.65267s) stopped
T25 >> 1462748807.79540610 libvdwxc nonlocal (4374.38056s) started
T25 << 1462748826.64130902 libvdwxc nonlocal (4393.22646s) stopped
T25 >> 1462748826.64137697 redistribute (3089.65271s) started
T25 << 1462748828.62571001 redistribute (3091.63704s) stopped
T25 << 1462748828.62702990 van der Waals (19112.84292s) stopped
T25 << 1462748829.11593890 XC 3D grid (19341.79919s) stopped
T25 >> 1462748829.11597800 Poisson (1911.70090s) started
T25 << 1462748833.48986197 Poisson (1916.07478s) stopped
T25 >> 1462748833.48993993 Hartree integrate/restrict (88.99741s) started
T25 << 1462748833.53246808 Hartree integrate/restrict (89.03994s) stopped
T25 >> 1462748833.53254199 Hartree integrate/restrict (89.03998s) started
T25 << 1462748833.88421106 Hartree integrate/restrict (89.39165s) stopped
T25 >> 1462748833.97433996 Atomic (2316.71491s) started
T25 >> 1462748833.99365091 XC Correction (1800.45518s) started
T25 << 1462748843.87672591 XC Correction (1810.33826s) stopped
T25 << 1462748846.70164800 Atomic (2329.44222s) stopped
T25 >> 1462748846.70197392 Communicate (379.60773s) started
T25 << 1462748847.99527097 Communicate (380.90102s) stopped
T25 << 1462748847.99530005 Hamiltonian (24077.24310s) stopped
T25 >> 1462748847.99545097 LCAO eigensolver (18098.52370s) started
T25 >> 1462748847.99546599 Potential matrix (609.54324s) started
T25 << 1462748850.39766192 Potential matrix (611.94544s) stopped
T25 >> 1462748850.39776206 DistributedAtomicCorrection (254.73321s) started
T25 << 1462748851.46906495 DistributedAtomicCorrection (255.80452s) stopped
T25 >> 1462748851.46917200 Distribute overlap matrix (1396.42768s) started
T25 >> 1462748851.46919703 blocked summation (1365.46361s) started
T25 << 1462748857.28664994 blocked summation (1371.28107s) stopped
T25 >> 1462748857.29607511 Scalapack redistribute (28.52709s) started
T25 << 1462748857.42583990 Scalapack redistribute (28.65685s) stopped
T25 << 1462748857.42594504 Distribute overlap matrix (1402.38445s) stopped
T25 >> 1462748857.43149209 Blacs Orbital Layouts (14578.81684s) started
T25 >> 1462748857.44016504 General diagonalize (14516.24544s) started
T25 << 1462748912.56786299 General diagonalize (14571.37314s) stopped
T25 >> 1462748912.56791091 Redistribute coefs (4.92889s) started
T25 << 1462748912.59891796 Redistribute coefs (4.95989s) stopped
T25 >> 1462748912.59896207 Send coefs to domains (55.36271s) started
T25 << 1462748912.82127190 Send coefs to domains (55.58502s) stopped
T25 << 1462748912.82178593 Blacs Orbital Layouts (14634.20714s) stopped
T25 >> 1462748912.82181692 Calculate projections (1257.52208s) started
T25 << 1462748917.66297793 Calculate projections (1262.36325s) stopped
T25 << 1462748917.66331410 LCAO eigensolver (18168.19157s) stopped
T25 << 1462748919.03697395 SCF-cycle (46569.84389s) stopped
T25 >> 1462748921.98601389 Force calculation (2260.45664s) started
T25 >> 1462748921.98609591 LCAO forces (2027.70579s) started
T25 >> 1462748921.98647904 Initial (0.00059s) started
T25 << 1462748921.98649001 Initial (0.00060s) stopped
T25 >> 1462748921.99286795 Get density matrix (947.36139s) started
T25 << 1462748931.30790591 Get density matrix (956.67643s) stopped
T25 >> 1462748931.30794811 Potential (322.43120s) started
T25 << 1462748943.73167109 Potential (334.85492s) stopped
T25 >> 1462748943.73172903 Get density matrix (956.67646s) started
T25 << 1462748971.16452599 Get density matrix (984.10926s) stopped
T25 >> 1462748971.16458988 Prepare TCI loop (63.51388s) started
T25 >> 1462748971.16519308 Get neighbors (57.47399s) started
T25 << 1462748973.46907806 Get neighbors (59.77788s) stopped
T25 >> 1462748973.47024894 broadcast dH (6.00786s) started
T25 << 1462748973.77079892 broadcast dH (6.30841s) stopped
T25 << 1462748973.77085209 Prepare TCI loop (66.12014s) stopped
T25 >> 1462748973.77087092 Not so complicated loop (271.61737s) started
T25 << 1462748984.31619906 Not so complicated loop (282.16270s) stopped
T25 >> 1462748984.43460202 Complicated loop (419.42039s) started
T25 << 1462749000.73981404 Complicated loop (435.72560s) stopped
T25 >> 1462749000.74281096 Wait for sum (0.00266s) started
T25 << 1462749000.74289608 Wait for sum (0.00275s) stopped
T25 << 1462749000.74291110 LCAO forces (2106.46261s) stopped
T25 << 1462749009.96390796 Force calculation (2348.43453s) stopped
T25 >> 1462749009.98576593 Initialization (3387.79276s) started
T25 << 1462749009.98600698 Initialization (3387.79300s) stopped
T25 >> 1462749009.98629594 Initialization (3387.79302s) started
T25 << 1462749009.98645306 Initialization (3387.79318s) stopped
T25 >> 1462749009.98661089 Initialization (3387.79320s) started
T25 << 1462749009.98677206 Initialization (3387.79336s) stopped
T25 >> 1462749033.35201502 Initialization (3387.79338s) started
T25 >> 1462749033.51688695 Basic WFS set positions (3.52351s) started
T25 >> 1462749033.51691103 Redistribute (0.28409s) started
T25 << 1462749033.51705503 Redistribute (0.28424s) stopped
T25 << 1462749033.67085195 Basic WFS set positions (3.67748s) stopped
T25 >> 1462749033.67088294 Basis functions set positions (54.22292s) started
T25 << 1462749035.86329389 Basis functions set positions (56.41534s) stopped
T25 >> 1462749035.86853004 TCI: Calculate S, T, P (667.41421s) started
T25 << 1462749062.28974891 TCI: Calculate S, T, P (693.83542s) stopped
T25 >> 1462749062.28986096 blocked summation (642.80948s) started
T25 << 1462749093.95886993 blocked summation (674.47849s) stopped
T25 >> 1462749093.97069693 Scalapack redistribute (7.29349s) started
T25 << 1462749094.09628010 Scalapack redistribute (7.41907s) stopped
T25 >> 1462749094.09766412 blocked summation (674.47853s) started
T25 << 1462749095.38958406 blocked summation (675.77045s) stopped
T25 >> 1462749095.39944506 Scalapack redistribute (7.41914s) started
T25 << 1462749095.62745905 Scalapack redistribute (7.64715s) stopped
T25 >> 1462749095.63017893 Redistribute (0.78911s) started
T25 << 1462749095.63140893 Redistribute (0.79034s) stopped
T25 >> 1462749097.63722992 Redistribute (0.79036s) started
T25 << 1462749097.63875604 Redistribute (0.79188s) stopped
T25 >> 1462749097.66709208 LCAO WFS Initialize (1944.49609s) started
T25 >> 1462749097.66711807 Density initialize from wavefunctions (385.28518s) started
T25 >> 1462749097.67061806 Calculate density matrix (262.79832s) started
T25 << 1462749107.65341306 Calculate density matrix (272.78111s) stopped
T25 >> 1462749107.65346789 Construct density (42.57681s) started
T25 << 1462749109.29724693 Construct density (44.22059s) stopped
T25 >> 1462749109.32569098 Symmetrize density (0.00203s) started
T25 << 1462749109.32575488 Symmetrize density (0.00209s) stopped
T25 << 1462749112.39964795 Density initialize from wavefunctions (400.01771s) stopped
T25 >> 1462749112.40036607 Hamiltonian (1558.17608s) started
T25 >> 1462749112.40038800 vbar (0.67495s) started
T25 << 1462749112.42502809 vbar (0.69959s) stopped
T25 >> 1462749112.42513204 XC 3D grid (807.56809s) started
T25 >> 1462749112.92763710 van der Waals (780.84403s) started
T25 >> 1462749113.06328106 semilocal (177.64960s) started
T25 << 1462749120.10535312 semilocal (184.69167s) stopped
T25 >> 1462749120.16927791 redistribute (81.90834s) started
T25 << 1462749121.14735198 redistribute (82.88641s) stopped
T25 >> 1462749121.14744401 libvdwxc nonlocal (515.80673s) started
T25 << 1462749140.11782503 libvdwxc nonlocal (534.77712s) stopped
T25 >> 1462749140.11789799 redistribute (82.88644s) started
T25 << 1462749142.07850099 redistribute (84.84705s) stopped
T25 << 1462749142.08077693 van der Waals (809.99717s) stopped
T25 << 1462749142.56290889 XC 3D grid (837.70586s) stopped
T25 >> 1462749142.56295204 Poisson (395.60645s) started
T25 << 1462749154.11830091 Poisson (407.16180s) stopped
T25 >> 1462749154.11839294 Hartree integrate/restrict (10.70620s) started
T25 << 1462749154.17687392 Hartree integrate/restrict (10.76468s) stopped
T25 >> 1462749154.17693400 Hartree integrate/restrict (10.76472s) started
T25 << 1462749154.49936891 Hartree integrate/restrict (11.08716s) stopped
T25 >> 1462749154.56128001 Atomic (318.81070s) started
T25 >> 1462749154.58026695 XC Correction (240.02739s) started
T25 << 1462749165.18302989 XC Correction (250.63015s) stopped
T25 << 1462749169.38255811 Atomic (333.63198s) stopped
T25 >> 1462749169.38296890 Communicate (23.12383s) started
T25 << 1462749169.38317704 Communicate (23.12404s) stopped
T25 << 1462749169.38320088 Hamiltonian (1615.15891s) stopped
T25 << 1462749169.38326311 LCAO WFS Initialize (2016.21226s) stopped
T25 << 1462749169.39565396 Initialization (3523.83702s) stopped
T25 >> 1462749169.42550302 SCF-cycle (46569.84391s) started
T25 >> 1462749169.42555499 LCAO eigensolver (18168.19159s) started
T25 >> 1462749169.42556810 Potential matrix (611.94549s) started
T25 << 1462749171.83432508 Potential matrix (614.35425s) stopped
T25 >> 1462749171.83440995 DistributedAtomicCorrection (255.80456s) started
T25 << 1462749172.85452008 DistributedAtomicCorrection (256.82467s) stopped
T25 >> 1462749172.85456395 Distribute overlap matrix (1402.38447s) started
T25 >> 1462749172.85461092 blocked summation (1371.28110s) started
T25 << 1462749178.58578491 blocked summation (1377.01227s) stopped
T25 >> 1462749178.59575891 Scalapack redistribute (28.65692s) started
T25 << 1462749178.70090294 Scalapack redistribute (28.76206s) stopped
T25 << 1462749178.70099092 Distribute overlap matrix (1408.23089s) stopped
T25 >> 1462749178.70755601 Blacs Orbital Layouts (14634.20716s) started
T25 >> 1462749178.71535707 General diagonalize (14571.37318s) started
T25 << 1462749237.41756606 General diagonalize (14630.07539s) stopped
T25 >> 1462749237.41761494 Redistribute coefs (4.95992s) started
T25 << 1462749237.44405389 Redistribute coefs (4.98636s) stopped
T25 >> 1462749237.44409299 Send coefs to domains (55.58506s) started
T25 << 1462749237.55851889 Send coefs to domains (55.69949s) stopped
T25 << 1462749237.55924797 Blacs Orbital Layouts (14693.05885s) stopped
T25 >> 1462749237.55927801 Calculate projections (1262.36330s) started
T25 << 1462749242.42505193 Calculate projections (1267.22907s) stopped
T25 << 1462749242.42547011 LCAO eigensolver (18241.19150s) stopped
T25 >> 1462749244.00742507 Density (3991.36528s) started
T25 >> 1462749244.00743890 Pseudo density (3261.96672s) started
T25 >> 1462749244.00876188 Calculate density matrix (2875.79263s) started
T25 << 1462749256.91336393 Calculate density matrix (2888.69724s) stopped
T25 >> 1462749256.91341996 Construct density (376.49114s) started
T25 << 1462749258.56099510 Construct density (378.13872s) stopped
T25 >> 1462749258.65220904 Symmetrize density (0.01828s) started
T25 << 1462749258.65227699 Symmetrize density (0.01835s) stopped
T25 << 1462749258.65434003 Pseudo density (3276.61362s) stopped
T25 >> 1462749258.65440011 Atomic density matrices (606.71614s) started
T25 << 1462749261.27615809 Atomic density matrices (609.33790s) stopped
T25 >> 1462749261.27621007 Multipole moments (2.17264s) started
T25 << 1462749261.28461289 Multipole moments (2.18105s) stopped
T25 >> 1462749261.28467393 Normalize (1.94270s) started
T25 << 1462749261.29218698 Normalize (1.95021s) stopped
T25 >> 1462749261.29223704 Mix (118.54067s) started
T25 << 1462749261.73305202 Mix (118.98148s) stopped
T25 << 1462749261.73314095 Density (4009.09100s) stopped
T25 >> 1462749261.73328400 Hamiltonian (24077.24311s) started
T25 >> 1462749261.73330212 vbar (6.45249s) started
T25 << 1462749261.76698899 vbar (6.48618s) stopped
T25 >> 1462749261.76712608 XC 3D grid (19341.79922s) started
T25 >> 1462749262.26567698 van der Waals (19112.84301s) started
T25 >> 1462749262.39757609 semilocal (11579.37025s) started
T25 << 1462749269.51490307 semilocal (11586.48758s) stopped
T25 >> 1462749269.59152293 redistribute (3091.63715s) started
T25 << 1462749270.60346794 redistribute (3092.64909s) stopped
T25 >> 1462749270.60350990 libvdwxc nonlocal (4393.22651s) started
T25 << 1462749290.19317508 libvdwxc nonlocal (4412.81617s) stopped
T25 >> 1462749290.19323206 redistribute (3092.64912s) started
T25 << 1462749292.37700510 redistribute (3094.83290s) stopped
T25 << 1462749292.37907600 van der Waals (19142.95641s) stopped
T25 << 1462749292.85494804 XC 3D grid (19372.88704s) stopped
T25 >> 1462749292.85499096 Poisson (1916.07484s) started
T25 << 1462749298.95612192 Poisson (1922.17597s) stopped
T25 >> 1462749298.95624208 Hartree integrate/restrict (89.39173s) started
T25 << 1462749298.99387908 Hartree integrate/restrict (89.42937s) stopped
T25 >> 1462749298.99402094 Hartree integrate/restrict (89.42946s) started
T25 << 1462749299.36993194 Hartree integrate/restrict (89.80537s) stopped
T25 >> 1462749299.42785096 Atomic (2329.44225s) started
T25 >> 1462749299.44666100 XC Correction (1810.33829s) started
T25 << 1462749309.70271993 XC Correction (1820.59435s) stopped
T25 << 1462749314.30772805 Atomic (2344.32212s) stopped
T25 >> 1462749314.30808306 Communicate (380.90104s) started
T25 << 1462749314.30826902 Communicate (380.90123s) stopped
T25 << 1462749314.30829191 Hamiltonian (24129.81812s) stopped
T25 >> 1462749314.30839610 LCAO eigensolver (18241.19152s) started
T25 >> 1462749314.30841208 Potential matrix (614.35430s) started
T25 << 1462749316.72442698 Potential matrix (616.77031s) stopped
T25 >> 1462749316.72452593 DistributedAtomicCorrection (256.82470s) started
T25 << 1462749317.72121310 DistributedAtomicCorrection (257.82139s) stopped
T25 >> 1462749317.72131395 Distribute overlap matrix (1408.23090s) started
T25 >> 1462749317.72133899 blocked summation (1377.01230s) started
T25 << 1462749323.55689192 blocked summation (1382.84786s) stopped
T25 >> 1462749323.56616592 Scalapack redistribute (28.76213s) started
T25 << 1462749323.68201995 Scalapack redistribute (28.87798s) stopped
T25 << 1462749323.68212700 Distribute overlap matrix (1414.19172s) stopped
T25 >> 1462749323.69021297 Blacs Orbital Layouts (14693.05887s) started
T25 >> 1462749323.69867611 General diagonalize (14630.07543s) started
T25 << 1462749383.11492991 General diagonalize (14689.49168s) stopped
T25 >> 1462749383.11497808 Redistribute coefs (4.98639s) started
T25 << 1462749383.13715005 Redistribute coefs (5.00857s) stopped
T25 >> 1462749383.13719511 Send coefs to domains (55.69952s) started
T25 << 1462749383.22465801 Send coefs to domains (55.78699s) stopped
T25 << 1462749383.22536612 Blacs Orbital Layouts (14752.59402s) stopped
T25 >> 1462749383.22539496 Calculate projections (1267.22913s) started
T25 << 1462749388.04644489 Calculate projections (1272.05018s) stopped
T25 << 1462749388.04683995 LCAO eigensolver (18314.92996s) stopped
T25 >> 1462749389.37546492 Density (4009.09101s) started
T25 >> 1462749389.37547994 Pseudo density (3276.61367s) started
T25 >> 1462749389.37724590 Calculate density matrix (2888.69727s) started
T25 << 1462749402.27570009 Calculate density matrix (2901.59573s) stopped
T25 >> 1462749402.27575588 Construct density (378.13878s) started
T25 << 1462749403.92885303 Construct density (379.79187s) stopped
T25 >> 1462749403.95991397 Symmetrize density (0.01837s) started
T25 << 1462749403.95997000 Symmetrize density (0.01842s) stopped
T25 << 1462749403.96232700 Pseudo density (3291.20052s) stopped
T25 >> 1462749403.96238208 Atomic density matrices (609.33793s) started
T25 << 1462749406.64414597 Atomic density matrices (612.01969s) stopped
T25 >> 1462749406.64419699 Multipole moments (2.18106s) started
T25 << 1462749406.65413094 Multipole moments (2.19100s) stopped
T25 >> 1462749406.65419197 Normalize (1.95024s) started
T25 << 1462749406.66371202 Normalize (1.95976s) stopped
T25 >> 1462749406.66379499 Mix (118.98157s) started
T25 << 1462749407.11016011 Mix (119.42794s) stopped
T25 << 1462749407.11020589 Density (4026.82576s) stopped
T25 >> 1462749407.11034703 Hamiltonian (24129.81813s) started
T25 >> 1462749407.11036801 vbar (6.48625s) started
T25 << 1462749407.13835096 vbar (6.51424s) stopped
T25 >> 1462749407.13848400 XC 3D grid (19372.88708s) started
T25 >> 1462749407.63236189 van der Waals (19142.95651s) started
T25 >> 1462749407.76478291 semilocal (11586.48766s) started
T25 << 1462749414.31836891 semilocal (11593.04124s) stopped
T25 >> 1462749414.42622399 redistribute (3094.83302s) started
T25 << 1462749415.89183903 redistribute (3096.29863s) stopped
T25 >> 1462749415.89188409 libvdwxc nonlocal (4412.81622s) started
T25 << 1462749434.70943809 libvdwxc nonlocal (4431.63377s) stopped
T25 >> 1462749434.70950603 redistribute (3096.29867s) started
T25 << 1462749436.37986803 redistribute (3097.96903s) stopped
T25 << 1462749436.38252902 van der Waals (19171.70668s) stopped
T25 << 1462749436.86998105 XC 3D grid (19402.61857s) stopped
T25 >> 1462749436.87002206 Poisson (1922.17606s) started
T25 << 1462749442.71313095 Poisson (1928.01917s) stopped
T25 >> 1462749442.71323705 Hartree integrate/restrict (89.80543s) started
T25 << 1462749442.75834894 Hartree integrate/restrict (89.85054s) stopped
T25 >> 1462749442.75843310 Hartree integrate/restrict (89.85060s) started
T25 << 1462749443.10148692 Hartree integrate/restrict (90.19365s) stopped
T25 >> 1462749443.16004896 Atomic (2344.32215s) started
T25 >> 1462749443.17861390 XC Correction (1820.59438s) started
T25 << 1462749453.08279490 XC Correction (1830.49856s) stopped
T25 << 1462749457.28985095 Atomic (2358.45195s) stopped
T25 >> 1462749457.29019499 Communicate (380.90124s) started
T25 << 1462749457.29031110 Communicate (380.90136s) stopped
T25 << 1462749457.29033494 Hamiltonian (24179.99812s) stopped
T25 >> 1462749457.29043794 LCAO eigensolver (18314.92998s) started
T25 >> 1462749457.29045391 Potential matrix (616.77037s) started
T25 << 1462749459.69152498 Potential matrix (619.17144s) stopped
T25 >> 1462749459.69162393 DistributedAtomicCorrection (257.82143s) started
T25 << 1462749460.70098591 DistributedAtomicCorrection (258.83079s) stopped
T25 >> 1462749460.70109797 Distribute overlap matrix (1414.19173s) started
T25 >> 1462749460.70112300 blocked summation (1382.84789s) started
T25 << 1462749466.46790409 blocked summation (1388.61467s) stopped
T25 >> 1462749466.47776389 Scalapack redistribute (28.87806s) started
T25 << 1462749466.59566808 Scalapack redistribute (28.99596s) stopped
T25 << 1462749466.59576702 Distribute overlap matrix (1420.08640s) stopped
T25 >> 1462749466.60286307 Blacs Orbital Layouts (14752.59404s) started
T25 >> 1462749466.61326694 General diagonalize (14689.49172s) started
T25 << 1462749524.73280907 General diagonalize (14747.61126s) stopped
T25 >> 1462749524.73288488 Redistribute coefs (5.00860s) started
T25 << 1462749524.76495504 Redistribute coefs (5.04067s) stopped
T25 >> 1462749524.76500010 Send coefs to domains (55.78702s) started
T25 << 1462749524.96417499 Send coefs to domains (55.98620s) stopped
T25 << 1462749524.96479607 Blacs Orbital Layouts (14810.95598s) stopped
T25 >> 1462749524.96482491 Calculate projections (1272.05024s) started
T25 << 1462749529.80528212 Calculate projections (1276.89069s) stopped
T25 << 1462749529.80568910 LCAO eigensolver (18387.44523s) stopped
T25 >> 1462749531.13038898 Density (4026.82577s) started
T25 >> 1462749531.13040400 Pseudo density (3291.20056s) started
T25 >> 1462749531.13196206 Calculate density matrix (2901.59576s) started
T25 << 1462749544.08068895 Calculate density matrix (2914.54449s) stopped
T25 >> 1462749544.08074903 Construct density (379.79193s) started
T25 << 1462749545.74409699 Construct density (381.45527s) stopped
T25 >> 1462749545.76005697 Symmetrize density (0.01844s) started
T25 << 1462749545.76011610 Symmetrize density (0.01850s) stopped
T25 << 1462749545.76247692 Pseudo density (3305.83263s) stopped
T25 >> 1462749545.76253200 Atomic density matrices (612.01972s) started
T25 << 1462749548.44172597 Atomic density matrices (614.69891s) stopped
T25 >> 1462749548.44177604 Multipole moments (2.19102s) started
T25 << 1462749548.45580006 Multipole moments (2.20504s) stopped
T25 >> 1462749548.45585990 Normalize (1.95983s) started
T25 << 1462749548.46315289 Normalize (1.96712s) stopped
T25 >> 1462749548.46320796 Mix (119.42798s) started
T25 << 1462749549.00229192 Mix (119.96706s) stopped
T25 << 1462749549.00236201 Density (4044.69774s) stopped
T25 >> 1462749549.00248003 Hamiltonian (24179.99813s) started
T25 >> 1462749549.00249505 vbar (6.51431s) started
T25 << 1462749549.02009606 vbar (6.53191s) stopped
T25 >> 1462749549.02019906 XC 3D grid (19402.61861s) started
T25 >> 1462749549.52258301 van der Waals (19171.70677s) started
T25 >> 1462749549.65487599 semilocal (11593.04137s) started
T25 << 1462749556.31062889 semilocal (11599.69712s) stopped
T25 >> 1462749556.37153292 redistribute (3097.96914s) started
T25 << 1462749557.51946497 redistribute (3099.11707s) stopped
T25 >> 1462749557.51952910 libvdwxc nonlocal (4431.63382s) started
T25 << 1462749577.28512192 libvdwxc nonlocal (4451.39942s) stopped
T25 >> 1462749577.28519011 redistribute (3099.11712s) started
T25 << 1462749579.23229599 redistribute (3101.06423s) stopped
T25 << 1462749579.23442292 van der Waals (19201.41861s) stopped
T25 << 1462749579.72493410 XC 3D grid (19433.32334s) stopped
T25 >> 1462749579.72497702 Poisson (1928.01925s) started
T25 << 1462749585.68664193 Poisson (1933.98091s) stopped
T25 >> 1462749585.68672705 Hartree integrate/restrict (90.19372s) started
T25 << 1462749585.74366808 Hartree integrate/restrict (90.25066s) stopped
T25 >> 1462749585.74377203 Hartree integrate/restrict (90.25073s) started
T25 << 1462749586.07553196 Hartree integrate/restrict (90.58249s) stopped
T25 >> 1462749586.13362789 Atomic (2358.45197s) started
T25 >> 1462749586.15245605 XC Correction (1830.49859s) started
T25 << 1462749596.01052690 XC Correction (1840.35666s) stopped
T25 << 1462749599.61431599 Atomic (2371.93266s) stopped
T25 >> 1462749599.61455488 Communicate (380.90137s) started
T25 << 1462749600.30455899 Communicate (381.59138s) stopped
T25 << 1462749600.30458307 Hamiltonian (24231.30024s) stopped
T25 >> 1462749600.30468011 LCAO eigensolver (18387.44525s) started
T25 >> 1462749600.30469394 Potential matrix (619.17150s) started
T25 << 1462749602.71964192 Potential matrix (621.58645s) stopped
T25 >> 1462749602.71973395 DistributedAtomicCorrection (258.83084s) started
T25 << 1462749603.76002002 DistributedAtomicCorrection (259.87113s) stopped
T25 >> 1462749603.76011992 Distribute overlap matrix (1420.08641s) started
T25 >> 1462749603.76014400 blocked summation (1388.61470s) started
T25 << 1462749609.53035402 blocked summation (1394.38491s) stopped
T25 >> 1462749609.54027796 Scalapack redistribute (28.99602s) started
T25 << 1462749609.63991904 Scalapack redistribute (29.09566s) stopped
T25 << 1462749609.64002299 Distribute overlap matrix (1425.96632s) stopped
T25 >> 1462749609.64622593 Blacs Orbital Layouts (14810.95600s) started
T25 >> 1462749609.65392494 General diagonalize (14747.61132s) started
T25 << 1462749667.33985090 General diagonalize (14805.29725s) stopped
T25 >> 1462749667.33989596 Redistribute coefs (5.04071s) started
T25 << 1462749667.36053395 Redistribute coefs (5.06135s) stopped
T25 >> 1462749667.36057901 Send coefs to domains (55.98624s) started
T25 << 1462749667.45217299 Send coefs to domains (56.07784s) stopped
T25 << 1462749667.45267797 Blacs Orbital Layouts (14868.76245s) stopped
T25 >> 1462749667.45271111 Calculate projections (1276.89075s) started
T25 << 1462749672.27314305 Calculate projections (1281.71118s) stopped
T25 << 1462749672.27349496 LCAO eigensolver (18459.41407s) stopped
T25 >> 1462749673.60583711 Density (4044.69776s) started
T25 >> 1462749673.60585189 Pseudo density (3305.83268s) started
T25 >> 1462749673.60773110 Calculate density matrix (2914.54453s) started
T25 << 1462749686.47626090 Calculate density matrix (2927.41306s) stopped
T25 >> 1462749686.47631788 Construct density (381.45533s) started
T25 << 1462749688.13460493 Construct density (383.11362s) stopped
T25 >> 1462749688.15058303 Symmetrize density (0.01852s) started
T25 << 1462749688.15063906 Symmetrize density (0.01858s) stopped
T25 << 1462749688.15299606 Pseudo density (3320.37982s) stopped
T25 >> 1462749688.15305400 Atomic density matrices (614.69894s) started
T25 << 1462749690.83559799 Atomic density matrices (617.38148s) stopped
T25 >> 1462749690.83564901 Multipole moments (2.20506s) started
T25 << 1462749690.84627604 Multipole moments (2.21569s) stopped
T25 >> 1462749690.84633589 Normalize (1.96716s) started
T25 << 1462749690.85615206 Normalize (1.97698s) stopped
T25 >> 1462749690.85620904 Mix (119.96713s) started
T25 << 1462749691.39870906 Mix (120.50963s) stopped
T25 << 1462749691.39878702 Density (4062.49071s) stopped
T25 >> 1462749691.39890790 Hamiltonian (24231.30025s) started
T25 >> 1462749691.39892292 vbar (6.53197s) started
T25 << 1462749691.41853499 vbar (6.55158s) stopped
T25 >> 1462749691.41862893 XC 3D grid (19433.32338s) started
T25 >> 1462749691.89006901 van der Waals (19201.41870s) started
T25 >> 1462749692.02055502 semilocal (11599.69721s) started
T25 << 1462749712.32319307 semilocal (11619.99985s) stopped
T25 >> 1462749712.39369607 redistribute (3101.06432s) started
T25 << 1462749713.38938808 redistribute (3102.06001s) stopped
T25 >> 1462749713.38943291 libvdwxc nonlocal (4451.39947s) started
T25 << 1462749732.81381512 libvdwxc nonlocal (4470.82385s) stopped
T25 >> 1462749732.81387806 redistribute (3102.06005s) started
T25 << 1462749734.45155692 redistribute (3103.69773s) stopped
T25 << 1462749734.45323205 van der Waals (19243.98186s) stopped
T25 << 1462749734.94064808 XC 3D grid (19476.84539s) stopped
T25 >> 1462749734.94068789 Poisson (1933.98098s) started
T25 << 1462749739.44925308 Poisson (1938.48954s) stopped
T25 >> 1462749739.44933391 Hartree integrate/restrict (90.58253s) started
T25 << 1462749739.51254106 Hartree integrate/restrict (90.64574s) stopped
T25 >> 1462749739.51262093 Hartree integrate/restrict (90.64579s) started
T25 << 1462749739.83021593 Hartree integrate/restrict (90.96338s) stopped
T25 >> 1462749739.88513207 Atomic (2371.93268s) started
T25 >> 1462749739.90410995 XC Correction (1840.35668s) started
T25 << 1462749749.83522201 XC Correction (1850.28780s) stopped
T25 << 1462749753.07745290 Atomic (2385.12500s) stopped
T25 >> 1462749753.07776904 Communicate (381.59139s) started
T25 << 1462749753.97439408 Communicate (382.48802s) stopped
T25 << 1462749753.97441912 Hamiltonian (24293.87576s) stopped
T25 >> 1462749753.97452402 LCAO eigensolver (18459.41409s) started
T25 >> 1462749753.97453904 Potential matrix (621.58650s) started
T25 << 1462749756.38567901 Potential matrix (623.99764s) stopped
T25 >> 1462749756.38576603 DistributedAtomicCorrection (259.87116s) started
T25 << 1462749757.48067594 DistributedAtomicCorrection (260.96607s) stopped
T25 >> 1462749757.48077893 Distribute overlap matrix (1425.96633s) started
T25 >> 1462749757.48080301 blocked summation (1394.38494s) started
T25 << 1462749763.18034410 blocked summation (1400.08448s) stopped
T25 >> 1462749763.19113803 Scalapack redistribute (29.09572s) started
T25 << 1462749763.29183292 Scalapack redistribute (29.19642s) stopped
T25 << 1462749763.29190302 Distribute overlap matrix (1431.77745s) stopped
T25 >> 1462749763.29697108 Blacs Orbital Layouts (14868.76247s) started
T25 >> 1462749763.30507302 General diagonalize (14805.29729s) started
T25 << 1462749821.62782097 General diagonalize (14863.62003s) stopped
T25 >> 1462749821.62787294 Redistribute coefs (5.06138s) started
T25 << 1462749821.65478897 Redistribute coefs (5.08830s) stopped
T25 >> 1462749821.65482712 Send coefs to domains (56.07788s) started
T25 << 1462749822.07916808 Send coefs to domains (56.50222s) stopped
T25 << 1462749822.07972407 Blacs Orbital Layouts (14927.54522s) stopped
T25 >> 1462749822.07975507 Calculate projections (1281.71123s) started
T25 << 1462749826.93419600 Calculate projections (1286.56567s) stopped
T25 << 1462749826.93459702 LCAO eigensolver (18532.37416s) stopped
T25 >> 1462749828.15174508 Density (4062.49073s) started
T25 >> 1462749828.15176105 Pseudo density (3320.37987s) started
T25 >> 1462749828.15310502 Calculate density matrix (2927.41310s) started
T25 << 1462749841.11384106 Calculate density matrix (2940.37383s) stopped
T25 >> 1462749841.11390209 Construct density (383.11367s) started
T25 << 1462749842.76274300 Construct density (384.76251s) stopped
T25 >> 1462749842.77691793 Symmetrize density (0.01859s) started
T25 << 1462749842.77697992 Symmetrize density (0.01865s) stopped
T25 << 1462749842.77905607 Pseudo density (3335.00716s) stopped
T25 >> 1462749842.77911592 Atomic density matrices (617.38150s) started
T25 << 1462749845.45724010 Atomic density matrices (620.05963s) stopped
T25 >> 1462749845.45729089 Multipole moments (2.21570s) started
T25 << 1462749845.46780801 Multipole moments (2.22622s) stopped
T25 >> 1462749845.46786904 Normalize (1.97702s) started
T25 << 1462749845.47495103 Normalize (1.98410s) stopped
T25 >> 1462749845.47500801 Mix (120.50971s) started
T25 << 1462749846.02897406 Mix (121.06367s) stopped
T25 << 1462749846.02907300 Density (4080.36805s) stopped
T25 >> 1462749846.02922297 Hamiltonian (24293.87577s) started
T25 >> 1462749846.02924204 vbar (6.55164s) started
T25 << 1462749846.06556892 vbar (6.58796s) stopped
T25 >> 1462749846.06570292 XC 3D grid (19476.84543s) started
T25 >> 1462749846.54423189 van der Waals (19243.98191s) started
T25 >> 1462749846.67235303 semilocal (11619.99995s) started
T25 << 1462750789.30707192 semilocal (12562.63467s) stopped
T25 >> 1462750789.40412211 redistribute (3103.69779s) started
T25 << 1462750790.58612108 redistribute (3104.87978s) stopped
T25 >> 1462750790.58616400 libvdwxc nonlocal (4470.82390s) started
T25 << 1462750809.76970410 libvdwxc nonlocal (4490.00744s) stopped
T25 >> 1462750809.76976991 redistribute (3104.87982s) started
T25 << 1462750811.77298188 redistribute (3106.88303s) stopped
T25 << 1462750811.77453899 van der Waals (20209.21222s) stopped
T25 << 1462750812.28833294 XC 3D grid (20443.06806s) stopped
T25 >> 1462750812.28837395 Poisson (1938.48960s) started
T25 << 1462750816.86479306 Poisson (1943.06602s) stopped
T25 >> 1462750816.86486101 Hartree integrate/restrict (90.96342s) started
T25 << 1462750816.89997911 Hartree integrate/restrict (90.99854s) stopped
T25 >> 1462750816.90005398 Hartree integrate/restrict (90.99858s) started
T25 << 1462750817.26438093 Hartree integrate/restrict (91.36291s) stopped
T25 >> 1462750817.32165098 Atomic (2385.12503s) started
T25 >> 1462750817.34135795 XC Correction (1850.28782s) started
T25 << 1462750827.41018391 XC Correction (1860.35665s) stopped
T25 << 1462750830.55261803 Atomic (2398.35599s) stopped
T25 >> 1462750830.55293989 Communicate (382.48803s) started
T25 << 1462750831.40674305 Communicate (383.34183s) stopped
T25 << 1462750831.40676904 Hamiltonian (25279.25332s) stopped
T25 >> 1462750831.40689111 LCAO eigensolver (18532.37418s) started
T25 >> 1462750831.40690708 Potential matrix (623.99769s) started
T25 << 1462750833.81684804 Potential matrix (626.40763s) stopped
T25 >> 1462750833.81695199 DistributedAtomicCorrection (260.96611s) started
T25 << 1462750834.77932501 DistributedAtomicCorrection (261.92848s) stopped
T25 >> 1462750834.77942705 Distribute overlap matrix (1431.77747s) started
T25 >> 1462750834.77945495 blocked summation (1400.08452s) started
T25 << 1462750840.67772603 blocked summation (1405.98279s) stopped
T25 >> 1462750840.68662596 Scalapack redistribute (29.19645s) started
T25 << 1462750840.80222106 Scalapack redistribute (29.31205s) stopped
T25 << 1462750840.80231500 Distribute overlap matrix (1437.80035s) stopped
T25 >> 1462750840.80694199 Blacs Orbital Layouts (14927.54524s) started
T25 >> 1462750840.81495810 General diagonalize (14863.62008s) started
T25 << 1462750899.16181707 General diagonalize (14921.96694s) stopped
T25 >> 1462750899.16186404 Redistribute coefs (5.08833s) started
T25 << 1462750899.18924809 Redistribute coefs (5.11571s) stopped
T25 >> 1462750899.18928790 Send coefs to domains (56.50226s) started
T25 << 1462750899.56630301 Send coefs to domains (56.87927s) stopped
T25 << 1462750899.56691694 Blacs Orbital Layouts (14986.30522s) stopped
T25 >> 1462750899.56695104 Calculate projections (1286.56573s) started
T25 << 1462750904.38965797 Calculate projections (1291.38844s) stopped
T25 << 1462750904.38986897 LCAO eigensolver (18605.35716s) stopped
T25 << 1462750905.65261602 SCF-cycle (48306.07103s) stopped
T25 >> 1462750908.55549788 Force calculation (2348.43456s) started
T25 >> 1462750908.55557609 LCAO forces (2106.46262s) started
T25 >> 1462750908.55594993 Initial (0.00061s) started
T25 << 1462750908.55596089 Initial (0.00062s) stopped
T25 >> 1462750908.56565690 Get density matrix (984.10929s) started
T25 << 1462750917.88035011 Get density matrix (993.42399s) stopped
T25 >> 1462750917.88040495 Potential (334.85497s) started
T25 << 1462750930.40713501 Potential (347.38170s) stopped
T25 >> 1462750930.40718794 Get density matrix (993.42403s) started
T25 << 1462750957.52461910 Get density matrix (1020.54146s) stopped
T25 >> 1462750957.52468109 Prepare TCI loop (66.12015s) started
T25 >> 1462750957.52523208 Get neighbors (59.77793s) started
T25 << 1462750959.69952798 Get neighbors (61.95223s) stopped
T25 >> 1462750959.70094299 broadcast dH (6.30845s) started
T25 << 1462750960.12990499 broadcast dH (6.73741s) stopped
T25 << 1462750960.12995410 Prepare TCI loop (68.72542s) stopped
T25 >> 1462750960.12997293 Not so complicated loop (282.16274s) started
T25 << 1462750970.73631692 Not so complicated loop (292.76909s) stopped
T25 >> 1462750970.85209394 Complicated loop (435.72564s) started
T25 << 1462750987.14588809 Complicated loop (452.01943s) stopped
T25 >> 1462750987.15018010 Wait for sum (0.00276s) started
T25 << 1462750987.15027094 Wait for sum (0.00285s) stopped
T25 << 1462750987.15028501 LCAO forces (2185.05733s) stopped
T25 << 1462750996.52518296 Force calculation (2436.40424s) stopped
T25 >> 1462750996.54592991 Initialization (3523.83703s) started
T25 << 1462750996.54615808 Initialization (3523.83726s) stopped
T25 >> 1462750996.54643011 Initialization (3523.83728s) started
T25 << 1462750996.54658604 Initialization (3523.83744s) stopped
T25 >> 1462750996.54674196 Initialization (3523.83745s) started
T25 << 1462750996.54689288 Initialization (3523.83760s) stopped
T25 >> 1462751019.87295508 Initialization (3523.83762s) started
T25 >> 1462751020.13482499 Basic WFS set positions (3.67750s) started
T25 >> 1462751020.13484812 Redistribute (0.28425s) started
T25 << 1462751020.13497901 Redistribute (0.28438s) stopped
T25 << 1462751020.28419805 Basic WFS set positions (3.82688s) stopped
T25 >> 1462751020.28422999 Basis functions set positions (56.41537s) started
T25 << 1462751022.48246503 Basis functions set positions (58.61360s) stopped
T25 >> 1462751022.48936892 TCI: Calculate S, T, P (693.83546s) started
T25 << 1462751049.05654001 TCI: Calculate S, T, P (720.40264s) stopped
T25 >> 1462751049.05664396 blocked summation (675.77049s) started
T25 << 1462751081.07321596 blocked summation (707.78706s) stopped
T25 >> 1462751081.08924890 Scalapack redistribute (7.64719s) started
T25 << 1462751081.19562507 Scalapack redistribute (7.75357s) stopped
T25 >> 1462751081.19670010 blocked summation (707.78709s) started
T25 << 1462751082.53124905 blocked summation (709.12164s) stopped
T25 >> 1462751082.54065490 Scalapack redistribute (7.75363s) started
T25 << 1462751082.68054008 Scalapack redistribute (7.89351s) stopped
T25 >> 1462751082.68419504 Redistribute (0.79194s) started
T25 << 1462751082.68539596 Redistribute (0.79314s) stopped
T25 >> 1462751084.78953409 Redistribute (0.79316s) started
T25 << 1462751084.79071403 Redistribute (0.79434s) stopped
T25 >> 1462751084.81564689 LCAO WFS Initialize (2016.21227s) started
T25 >> 1462751084.81567502 Density initialize from wavefunctions (400.01779s) started
T25 >> 1462751084.81914902 Calculate density matrix (272.78115s) started
T25 << 1462751094.85334897 Calculate density matrix (282.81535s) stopped
T25 >> 1462751094.85341311 Construct density (44.22065s) started
T25 << 1462751096.49535704 Construct density (45.86259s) stopped
T25 >> 1462751096.50824404 Symmetrize density (0.00211s) started
T25 << 1462751096.50830293 Symmetrize density (0.00217s) stopped
T25 << 1462751099.64502192 Density initialize from wavefunctions (414.84714s) stopped
T25 >> 1462751099.64605594 Hamiltonian (1615.15893s) started
T25 >> 1462751099.64612508 vbar (0.69965s) started
T25 << 1462751099.67979908 vbar (0.73332s) stopped
T25 >> 1462751099.67994499 XC 3D grid (837.70590s) started
T25 >> 1462751100.17675591 van der Waals (809.99728s) started
T25 >> 1462751100.31099010 semilocal (184.69173s) started
T25 << 1462751107.05626798 semilocal (191.43701s) stopped
T25 >> 1462751107.11999106 redistribute (84.84716s) started
T25 << 1462751108.64052701 redistribute (86.36769s) stopped
T25 >> 1462751108.64061499 libvdwxc nonlocal (534.77717s) started
T25 << 1462751127.18304396 libvdwxc nonlocal (553.31960s) stopped
T25 >> 1462751127.18309903 redistribute (86.36772s) started
T25 << 1462751129.04338694 redistribute (88.22801s) stopped
T25 << 1462751129.04462194 van der Waals (838.86515s) stopped
T25 << 1462751129.53821993 XC 3D grid (867.56417s) stopped
T25 >> 1462751129.53828502 Poisson (407.16187s) started
T25 << 1462751141.19271207 Poisson (418.81629s) stopped
T25 >> 1462751141.19283104 Hartree integrate/restrict (11.08720s) started
T25 << 1462751141.25612307 Hartree integrate/restrict (11.15049s) stopped
T25 >> 1462751141.25618100 Hartree integrate/restrict (11.15053s) started
T25 << 1462751141.57048512 Hartree integrate/restrict (11.46484s) stopped
T25 >> 1462751141.62831903 Atomic (333.63200s) started
T25 >> 1462751141.64775300 XC Correction (250.63018s) started
T25 << 1462751152.35372210 XC Correction (261.33615s) stopped
T25 << 1462751156.79066491 Atomic (348.79435s) stopped
T25 >> 1462751156.79105210 Communicate (23.12406s) started
T25 << 1462751156.79126906 Communicate (23.12427s) stopped
T25 << 1462751156.79129195 Hamiltonian (1672.30417s) stopped
T25 << 1462751156.79135299 LCAO WFS Initialize (2088.18798s) stopped
T25 << 1462751156.80366802 Initialization (3660.76833s) stopped
T25 >> 1462751156.83324289 SCF-cycle (48306.07105s) started
T25 >> 1462751156.83330202 LCAO eigensolver (18605.35718s) started
T25 >> 1462751156.83331490 Potential matrix (626.40769s) started
T25 << 1462751159.24944091 Potential matrix (628.82382s) stopped
T25 >> 1462751159.24953103 DistributedAtomicCorrection (261.92852s) started
T25 << 1462751160.28309894 DistributedAtomicCorrection (262.96209s) stopped
T25 >> 1462751160.28314209 Distribute overlap matrix (1437.80037s) started
T25 >> 1462751160.28318810 blocked summation (1405.98282s) started
T25 << 1462751166.10508108 blocked summation (1411.80471s) stopped
T25 >> 1462751166.11389303 Scalapack redistribute (29.31211s) started
T25 << 1462751166.24262190 Scalapack redistribute (29.44083s) stopped
T25 << 1462751166.24269700 Distribute overlap matrix (1443.75992s) stopped
T25 >> 1462751166.24733996 Blacs Orbital Layouts (14986.30524s) started
T25 >> 1462751166.25561309 General diagonalize (14921.96698s) started
T25 << 1462751225.68316007 General diagonalize (14981.39452s) stopped
T25 >> 1462751225.68322706 Redistribute coefs (5.11574s) started
T25 << 1462751225.69785309 Redistribute coefs (5.13037s) stopped
T25 >> 1462751225.69791198 Send coefs to domains (56.87932s) started
T25 << 1462751226.05535698 Send coefs to domains (57.23677s) stopped
T25 << 1462751226.05594897 Blacs Orbital Layouts (15046.11385s) stopped
T25 >> 1462751226.05597806 Calculate projections (1291.38849s) started
T25 << 1462751230.85931492 Calculate projections (1296.19183s) stopped
T25 << 1462751230.85950398 LCAO eigensolver (18679.38338s) stopped
T25 >> 1462751232.41598511 Density (4080.36807s) started
T25 >> 1462751232.41599989 Pseudo density (3335.00721s) started
T25 >> 1462751232.41727304 Calculate density matrix (2940.37387s) started
T25 << 1462751245.21409702 Calculate density matrix (2953.17069s) stopped
T25 >> 1462751245.21415401 Construct density (384.76256s) started
T25 << 1462751246.84674907 Construct density (386.39516s) stopped
T25 >> 1462751246.85883188 Symmetrize density (0.01867s) started
T25 << 1462751246.85888910 Symmetrize density (0.01873s) stopped
T25 << 1462751246.86100507 Pseudo density (3349.45222s) stopped
T25 >> 1462751246.86105800 Atomic density matrices (620.05965s) started
T25 << 1462751249.59322810 Atomic density matrices (622.79182s) stopped
T25 >> 1462751249.59327793 Multipole moments (2.22624s) started
T25 << 1462751249.60287809 Multipole moments (2.23584s) stopped
T25 >> 1462751249.60294104 Normalize (1.98414s) started
T25 << 1462751249.61009002 Normalize (1.99129s) stopped
T25 >> 1462751249.61015606 Mix (121.06377s) started
T25 << 1462751250.05680394 Mix (121.51042s) stopped
T25 << 1462751250.05687308 Density (4098.00896s) stopped
T25 >> 1462751250.05700707 Hamiltonian (25279.25333s) started
T25 >> 1462751250.05702400 vbar (6.58804s) started
T25 << 1462751250.07927203 vbar (6.61029s) stopped
T25 >> 1462751250.07940793 XC 3D grid (20443.06809s) started
T25 >> 1462751250.75250912 van der Waals (20209.21229s) started
T25 >> 1462751250.88850904 semilocal (12562.63479s) started
T25 << 1462751257.50643611 semilocal (12569.25271s) stopped
T25 >> 1462751257.57795906 redistribute (3106.88308s) started
T25 << 1462751259.08385205 redistribute (3108.38897s) stopped
T25 >> 1462751259.08389497 libvdwxc nonlocal (4490.00749s) started
T25 << 1462751278.69023395 libvdwxc nonlocal (4509.61383s) stopped
T25 >> 1462751278.69027805 redistribute (3108.38901s) started
T25 << 1462751280.90039492 redistribute (3110.59912s) stopped
T25 << 1462751280.90219593 van der Waals (20239.36198s) stopped
T25 << 1462751281.41050196 XC 3D grid (20474.39918s) stopped
T25 >> 1462751281.41054201 Poisson (1943.06607s) started
T25 << 1462751288.04118609 Poisson (1949.69671s) stopped
T25 >> 1462751288.04129910 Hartree integrate/restrict (91.36294s) started
T25 << 1462751288.11074710 Hartree integrate/restrict (91.43239s) stopped
T25 >> 1462751288.11080599 Hartree integrate/restrict (91.43243s) started
T25 << 1462751288.42778611 Hartree integrate/restrict (91.74941s) stopped
T25 >> 1462751288.48486304 Atomic (2398.35602s) started
T25 >> 1462751288.50363588 XC Correction (1860.35668s) started
T25 << 1462751298.82840204 XC Correction (1870.68144s) stopped
T25 << 1462751303.58200788 Atomic (2413.45316s) stopped
T25 >> 1462751303.58226991 Communicate (383.34185s) started
T25 << 1462751303.58285809 Communicate (383.34244s) stopped
T25 << 1462751303.58287907 Hamiltonian (25332.77920s) stopped
T25 >> 1462751303.58297491 LCAO eigensolver (18679.38340s) started
T25 >> 1462751303.58298993 Potential matrix (628.82387s) started
T25 << 1462751306.00119805 Potential matrix (631.24208s) stopped
T25 >> 1462751306.00128794 DistributedAtomicCorrection (262.96213s) started
T25 << 1462751307.03632689 DistributedAtomicCorrection (263.99717s) stopped
T25 >> 1462751307.03642297 Distribute overlap matrix (1443.75994s) started
T25 >> 1462751307.03644609 blocked summation (1411.80475s) started
T25 << 1462751312.91178203 blocked summation (1417.68008s) stopped
T25 >> 1462751312.92119789 Scalapack redistribute (29.44089s) started
T25 << 1462751313.01413107 Scalapack redistribute (29.53382s) stopped
T25 << 1462751313.01422501 Distribute overlap matrix (1449.73774s) stopped
T25 >> 1462751313.01985192 Blacs Orbital Layouts (15046.11387s) started
T25 >> 1462751313.02835488 General diagonalize (14981.39458s) started
T25 << 1462751371.42933393 General diagonalize (15039.79556s) stopped
T25 >> 1462751371.42938590 Redistribute coefs (5.13041s) started
T25 << 1462751371.44501805 Redistribute coefs (5.14605s) stopped
T25 >> 1462751371.44506097 Send coefs to domains (57.23680s) started
T25 << 1462751372.04808688 Send coefs to domains (57.83983s) stopped
T25 << 1462751372.04864407 Blacs Orbital Layouts (15105.14266s) stopped
T25 >> 1462751372.04867101 Calculate projections (1296.19187s) started
T25 << 1462751376.84781790 Calculate projections (1300.99102s) stopped
T25 << 1462751376.84801412 LCAO eigensolver (18752.64844s) stopped
T25 >> 1462751378.25027990 Density (4098.00897s) started
T25 >> 1462751378.25029492 Pseudo density (3349.45226s) started
T25 >> 1462751378.25160003 Calculate density matrix (2953.17073s) started
T25 << 1462751391.07279205 Calculate density matrix (2965.99192s) stopped
T25 >> 1462751391.07285094 Construct density (386.39521s) started
T25 << 1462751392.71379709 Construct density (388.03616s) stopped
T25 >> 1462751392.72603106 Symmetrize density (0.01875s) started
T25 << 1462751392.72609091 Symmetrize density (0.01881s) stopped
T25 << 1462751392.72821498 Pseudo density (3363.93018s) stopped
T25 >> 1462751392.72826695 Atomic density matrices (622.79185s) started
T25 << 1462751395.42873192 Atomic density matrices (625.49231s) stopped
T25 >> 1462751395.42878294 Multipole moments (2.23586s) started
T25 << 1462751395.44192290 Multipole moments (2.24900s) stopped
T25 >> 1462751395.44198298 Normalize (1.99133s) started
T25 << 1462751395.44919395 Normalize (1.99855s) stopped
T25 >> 1462751395.44928288 Mix (121.51048s) started
T25 << 1462751395.94547391 Mix (122.00668s) stopped
T25 << 1462751395.94552398 Density (4115.70422s) stopped
T25 >> 1462751395.94562697 Hamiltonian (25332.77921s) started
T25 >> 1462751395.94564295 vbar (6.61036s) started
T25 << 1462751395.96259809 vbar (6.62732s) stopped
T25 >> 1462751395.96269298 XC 3D grid (20474.39921s) started
T25 >> 1462751396.54406404 van der Waals (20239.36207s) started
T25 >> 1462751396.67552996 semilocal (12569.25279s) started
T25 << 1462751403.17039990 semilocal (12575.74766s) stopped
T25 >> 1462751403.28499508 redistribute (3110.59923s) started
T25 << 1462751404.96610999 redistribute (3112.28035s) stopped
T25 >> 1462751404.96615505 libvdwxc nonlocal (4509.61386s) started
T25 << 1462751424.61122990 libvdwxc nonlocal (4529.25893s) stopped
T25 >> 1462751424.61129594 redistribute (3112.28038s) started
T25 << 1462751426.21195006 redistribute (3113.88104s) stopped
T25 << 1462751426.21378112 van der Waals (20269.03179s) stopped
T25 << 1462751426.72149992 XC 3D grid (20505.15802s) stopped
T25 >> 1462751426.72154307 Poisson (1949.69680s) started
T25 << 1462751432.96964598 Poisson (1955.94490s) stopped
T25 >> 1462751432.96973610 Hartree integrate/restrict (91.74948s) started
T25 << 1462751433.03917003 Hartree integrate/restrict (91.81892s) stopped
T25 >> 1462751433.03926396 Hartree integrate/restrict (91.81898s) started
T25 << 1462751433.37140489 Hartree integrate/restrict (92.15112s) stopped
T25 >> 1462751433.42005205 Atomic (2413.45318s) started
T25 >> 1462751433.43881989 XC Correction (1870.68146s) started
T25 << 1462751443.38719201 XC Correction (1880.62984s) stopped
T25 << 1462751447.71435595 Atomic (2427.74749s) stopped
T25 >> 1462751447.71457911 Communicate (383.34245s) started
T25 << 1462751447.71546602 Communicate (383.34334s) stopped
T25 << 1462751447.71548796 Hamiltonian (25384.54907s) stopped
T25 >> 1462751447.71557999 LCAO eigensolver (18752.64845s) started
T25 >> 1462751447.71559501 Potential matrix (631.24213s) started
T25 << 1462751450.13012409 Potential matrix (633.65666s) stopped
T25 >> 1462751450.13021398 DistributedAtomicCorrection (263.99720s) started
T25 << 1462751451.14557600 DistributedAtomicCorrection (265.01257s) stopped
T25 >> 1462751451.14566493 Distribute overlap matrix (1449.73775s) started
T25 >> 1462751451.14568806 blocked summation (1417.68012s) started
T25 << 1462751457.02161193 blocked summation (1423.55604s) stopped
T25 >> 1462751457.03046894 Scalapack redistribute (29.53388s) started
T25 << 1462751457.12822199 Scalapack redistribute (29.63163s) stopped
T25 << 1462751457.12832499 Distribute overlap matrix (1455.72041s) stopped
T25 >> 1462751457.13331890 Blacs Orbital Layouts (15105.14268s) started
T25 >> 1462751457.14228296 General diagonalize (15039.79560s) started
T25 << 1462751516.01154995 General diagonalize (15098.66487s) stopped
T25 >> 1462751516.01160192 Redistribute coefs (5.14608s) started
T25 << 1462751516.02775002 Redistribute coefs (5.16223s) stopped
T25 >> 1462751516.02779388 Send coefs to domains (57.83986s) started
T25 << 1462751516.15401196 Send coefs to domains (57.96608s) stopped
T25 << 1462751516.15478706 Blacs Orbital Layouts (15164.16415s) stopped
T25 >> 1462751516.15481997 Calculate projections (1300.99108s) started
T25 << 1462751520.94954705 Calculate projections (1305.78580s) stopped
T25 << 1462751520.94973207 LCAO eigensolver (18825.88261s) stopped
T25 >> 1462751522.61213398 Density (4115.70423s) started
T25 >> 1462751522.61214900 Pseudo density (3363.93022s) started
T25 >> 1462751522.61340094 Calculate density matrix (2965.99196s) started
T25 << 1462751535.31810904 Calculate density matrix (2978.69667s) stopped
T25 >> 1462751535.31816697 Construct density (388.03621s) started
T25 << 1462751536.95956111 Construct density (389.67760s) stopped
T25 >> 1462751536.97137189 Symmetrize density (0.01882s) started
T25 << 1462751536.97142696 Symmetrize density (0.01888s) stopped
T25 << 1462751536.97352195 Pseudo density (3378.29159s) stopped
T25 >> 1462751536.97357512 Atomic density matrices (625.49234s) started
T25 << 1462751539.70492411 Atomic density matrices (628.22369s) stopped
T25 >> 1462751539.70497489 Multipole moments (2.24901s) started
T25 << 1462751539.71773505 Multipole moments (2.26177s) stopped
T25 >> 1462751539.71779299 Normalize (1.99862s) started
T25 << 1462751539.72514009 Normalize (2.00596s) stopped
T25 >> 1462751539.72519398 Mix (122.00672s) started
T25 << 1462751540.22798491 Mix (122.50952s) stopped
T25 << 1462751540.22809505 Density (4133.32019s) stopped
T25 >> 1462751540.22829890 Hamiltonian (25384.54909s) started
T25 >> 1462751540.22832108 vbar (6.62737s) started
T25 << 1462751540.25695610 vbar (6.65600s) stopped
T25 >> 1462751540.25708890 XC 3D grid (20505.15805s) started
T25 >> 1462751540.75180888 van der Waals (20269.03185s) started
T25 >> 1462751540.88158202 semilocal (12575.74779s) started
T25 << 1462751550.64442897 semilocal (12585.51063s) stopped
T25 >> 1462751550.71135998 redistribute (3113.88111s) started
T25 << 1462751551.76142502 redistribute (3114.93117s) stopped
T25 >> 1462751551.76146889 libvdwxc nonlocal (4529.25898s) started
T25 << 1462751570.96212101 libvdwxc nonlocal (4548.45964s) stopped
T25 >> 1462751570.96218610 redistribute (3114.93121s) started
T25 << 1462751572.58657002 redistribute (3116.55559s) stopped
T25 << 1462751572.58891010 van der Waals (20300.86895s) stopped
T25 << 1462751573.10251307 XC 3D grid (20538.00348s) stopped
T25 >> 1462751573.10255790 Poisson (1955.94497s) started
T25 << 1462751579.17964506 Poisson (1962.02206s) stopped
T25 >> 1462751579.17971611 Hartree integrate/restrict (92.15115s) started
T25 << 1462751579.23508096 Hartree integrate/restrict (92.20652s) stopped
T25 >> 1462751579.23513198 Hartree integrate/restrict (92.20655s) started
T25 << 1462751579.55726695 Hartree integrate/restrict (92.52869s) stopped
T25 >> 1462751579.61595798 Atomic (2427.74751s) started
T25 >> 1462751579.63478494 XC Correction (1880.62986s) started
T25 << 1462751589.61140299 XC Correction (1890.60648s) stopped
T25 << 1462751593.22323990 Atomic (2441.35479s) stopped
T25 >> 1462751593.22350693 Communicate (383.34335s) started
T25 << 1462751593.79018807 Communicate (383.91003s) stopped
T25 << 1462751593.79021311 Hamiltonian (25438.11100s) stopped
T25 >> 1462751593.79030800 LCAO eigensolver (18825.88262s) started
T25 >> 1462751593.79032302 Potential matrix (633.65671s) started
T25 << 1462751596.19888091 Potential matrix (636.06527s) stopped
T25 >> 1462751596.19897008 DistributedAtomicCorrection (265.01260s) started
T25 << 1462751597.26346397 DistributedAtomicCorrection (266.07710s) stopped
T25 >> 1462751597.26355791 Distribute overlap matrix (1455.72043s) started
T25 >> 1462751597.26358199 blocked summation (1423.55607s) started
T25 << 1462751603.02402806 blocked summation (1429.31652s) stopped
T25 >> 1462751603.03345704 Scalapack redistribute (29.63169s) started
T25 << 1462751603.15772891 Scalapack redistribute (29.75596s) stopped
T25 << 1462751603.15780401 Distribute overlap matrix (1461.61467s) stopped
T25 >> 1462751603.16264796 Blacs Orbital Layouts (15164.16417s) started
T25 >> 1462751603.17040491 General diagonalize (15098.66491s) started
T25 << 1462751663.80478001 General diagonalize (15159.29929s) stopped
T25 >> 1462751663.80486608 Redistribute coefs (5.16226s) started
T25 << 1462751663.82024789 Redistribute coefs (5.17764s) stopped
T25 >> 1462751663.82029200 Send coefs to domains (57.96612s) started
T25 << 1462751663.91574693 Send coefs to domains (58.06157s) stopped
T25 << 1462751663.91626406 Blacs Orbital Layouts (15224.91778s) stopped
T25 >> 1462751663.91629100 Calculate projections (1305.78585s) started
T25 << 1462751668.72391891 Calculate projections (1310.59348s) stopped
T25 << 1462751668.72424793 LCAO eigensolver (18900.81656s) stopped
T25 >> 1462751670.17438293 Density (4133.32021s) started
T25 >> 1462751670.17439795 Pseudo density (3378.29164s) started
T25 >> 1462751670.17567396 Calculate density matrix (2978.69671s) started
T25 << 1462751682.92411089 Calculate density matrix (2991.44514s) stopped
T25 >> 1462751682.92416906 Construct density (389.67765s) started
T25 << 1462751684.57128310 Construct density (391.32477s) stopped
T25 >> 1462751684.58343506 Symmetrize density (0.01889s) started
T25 << 1462751684.58349204 Symmetrize density (0.01895s) stopped
T25 << 1462751684.58562994 Pseudo density (3392.70287s) stopped
T25 >> 1462751684.58568311 Atomic density matrices (628.22371s) started
T25 << 1462751687.30697298 Atomic density matrices (630.94500s) stopped
T25 >> 1462751687.30702400 Multipole moments (2.26179s) started
T25 << 1462751687.31865311 Multipole moments (2.27342s) stopped
T25 >> 1462751687.31871200 Normalize (2.00600s) started
T25 << 1462751687.32599998 Normalize (2.01329s) stopped
T25 >> 1462751687.32607508 Mix (122.50962s) started
T25 << 1462751687.84032106 Mix (123.02386s) stopped
T25 << 1462751687.84035993 Density (4150.98619s) stopped
T25 >> 1462751687.84046507 Hamiltonian (25438.11101s) started
T25 >> 1462751687.84048009 vbar (6.65609s) started
T25 << 1462751687.85985398 vbar (6.67547s) stopped
T25 >> 1462751687.85995293 XC 3D grid (20538.00351s) started
T25 >> 1462751688.47824502 van der Waals (20300.86903s) started
T25 >> 1462751688.60775208 semilocal (12585.51072s) started
T25 << 1462751760.91370010 semilocal (12657.81666s) stopped
T25 >> 1462751760.99218607 redistribute (3116.55568s) started
T25 << 1462751761.99617410 redistribute (3117.55967s) stopped
T25 >> 1462751761.99621892 libvdwxc nonlocal (4548.45968s) started
T25 << 1462751781.19093394 libvdwxc nonlocal (4567.65440s) stopped
T25 >> 1462751781.19100189 redistribute (3117.55970s) started
T25 << 1462751782.87738609 redistribute (3119.24609s) stopped
T25 << 1462751782.87974691 van der Waals (20395.27054s) stopped
T25 << 1462751783.37692595 XC 3D grid (20633.52049s) stopped
T25 >> 1462751783.37697005 Poisson (1962.02211s) started
T25 << 1462751787.82623911 Poisson (1966.47138s) stopped
T25 >> 1462751787.82630897 Hartree integrate/restrict (92.52872s) started
T25 << 1462751787.88229203 Hartree integrate/restrict (92.58471s) stopped
T25 >> 1462751787.88234091 Hartree integrate/restrict (92.58474s) started
T25 << 1462751788.20256305 Hartree integrate/restrict (92.90496s) stopped
T25 >> 1462751788.26195312 Atomic (2441.35481s) started
T25 >> 1462751788.28113508 XC Correction (1890.60650s) started
T25 << 1462751798.31648397 XC Correction (1900.64185s) stopped
T25 << 1462751801.68264604 Atomic (2454.77550s) stopped
T25 >> 1462751801.68292308 Communicate (383.91005s) started
T25 << 1462751802.34984994 Communicate (384.57698s) stopped
T25 << 1462751802.34987402 Hamiltonian (25552.62042s) stopped
T25 >> 1462751802.34997606 LCAO eigensolver (18900.81658s) started
T25 >> 1462751802.34999108 Potential matrix (636.06532s) started
T25 << 1462751804.75722098 Potential matrix (638.47255s) stopped
T25 >> 1462751804.75731301 DistributedAtomicCorrection (266.07713s) started
T25 << 1462751805.80587697 DistributedAtomicCorrection (267.12570s) stopped
T25 >> 1462751805.80596995 Distribute overlap matrix (1461.61468s) started
T25 >> 1462751805.80599403 blocked summation (1429.31655s) started
T25 << 1462751811.78180599 blocked summation (1435.29237s) stopped
T25 >> 1462751811.79143095 Scalapack redistribute (29.75602s) started
T25 << 1462751811.89162588 Scalapack redistribute (29.85621s) stopped
T25 << 1462751811.89171505 Distribute overlap matrix (1467.70043s) stopped
T25 >> 1462751811.89598298 Blacs Orbital Layouts (15224.91780s) started
T25 >> 1462751811.90451908 General diagonalize (15159.29936s) started
T25 << 1462751871.83960104 General diagonalize (15219.23444s) stopped
T25 >> 1462751871.83964896 Redistribute coefs (5.17768s) started
T25 << 1462751871.86421490 Redistribute coefs (5.20224s) stopped
T25 >> 1462751871.86425900 Send coefs to domains (58.06161s) started
T25 << 1462751871.96013403 Send coefs to domains (58.15749s) stopped
T25 << 1462751871.96071291 Blacs Orbital Layouts (15284.98253s) stopped
T25 >> 1462751871.96074200 Calculate projections (1310.59353s) started
T25 << 1462751876.77324009 Calculate projections (1315.40603s) stopped
T25 << 1462751876.77358294 LCAO eigensolver (18975.24019s) stopped
T25 >> 1462751878.22190094 Density (4150.98620s) started
T25 >> 1462751878.22191691 Pseudo density (3392.70291s) started
T25 >> 1462751878.22356105 Calculate density matrix (2991.44518s) started
T25 << 1462751890.96951699 Calculate density matrix (3004.19114s) stopped
T25 >> 1462751890.96958089 Construct density (391.32482s) started
T25 << 1462751892.62114501 Construct density (392.97639s) stopped
T25 >> 1462751892.63431311 Symmetrize density (0.01897s) started
T25 << 1462751892.63437104 Symmetrize density (0.01903s) stopped
T25 << 1462751892.63651109 Pseudo density (3407.11750s) stopped
T25 >> 1462751892.63656902 Atomic density matrices (630.94503s) started
T25 << 1462751895.34603906 Atomic density matrices (633.65450s) stopped
T25 >> 1462751895.34609199 Multipole moments (2.27344s) started
T25 << 1462751895.35509205 Multipole moments (2.28244s) stopped
T25 >> 1462751895.35515189 Normalize (2.01335s) started
T25 << 1462751895.36253190 Normalize (2.02073s) stopped
T25 >> 1462751895.36258411 Mix (123.02390s) started
T25 << 1462751895.94229388 Mix (123.60361s) stopped
T25 << 1462751895.94238091 Density (4168.70668s) stopped
T25 >> 1462751895.94252491 Hamiltonian (25552.62043s) started
T25 >> 1462751895.94254088 vbar (6.67552s) started
T25 << 1462751895.96210599 vbar (6.69508s) stopped
T25 >> 1462751895.96219492 XC 3D grid (20633.52052s) started
T25 >> 1462751896.54772401 van der Waals (20395.27063s) started
T25 >> 1462751896.68273997 semilocal (12657.81676s) started
T25 << 1462753424.39720511 semilocal (14185.53123s) stopped
T25 >> 1462753424.48547697 redistribute (3119.24617s) started
T25 << 1462753425.61740494 redistribute (3120.37810s) stopped
T25 >> 1462753425.61745000 libvdwxc nonlocal (4567.65445s) started
T25 << 1462753444.64579010 libvdwxc nonlocal (4586.68279s) stopped
T25 >> 1462753444.64585495 redistribute (3120.37813s) started
T25 << 1462753446.37770391 redistribute (3122.10998s) stopped
T25 << 1462753446.37902808 van der Waals (21945.10193s) stopped
T25 << 1462753446.86778092 XC 3D grid (22184.42611s) stopped
T25 >> 1462753446.86782408 Poisson (1966.47143s) started
T25 << 1462753451.36724401 Poisson (1970.97085s) stopped
T25 >> 1462753451.36734200 Hartree integrate/restrict (92.90503s) started
T25 << 1462753451.41662788 Hartree integrate/restrict (92.95431s) stopped
T25 >> 1462753451.41668010 Hartree integrate/restrict (92.95435s) started
T25 << 1462753451.79733706 Hartree integrate/restrict (93.33500s) stopped
T25 >> 1462753451.87340212 Atomic (2454.77552s) started
T25 >> 1462753451.89328003 XC Correction (1900.64188s) started
T25 << 1462753462.21538901 XC Correction (1910.96399s) stopped
T25 << 1462753465.30766797 Atomic (2468.20979s) stopped
T25 >> 1462753465.30798793 Communicate (384.57699s) started
T25 << 1462753465.88301897 Communicate (385.15202s) stopped
T25 << 1462753465.88304996 Hamiltonian (27122.56096s) stopped
T25 >> 1462753465.88316703 LCAO eigensolver (18975.24021s) started
T25 >> 1462753465.88318205 Potential matrix (638.47260s) started
T25 << 1462753468.31649303 Potential matrix (640.90592s) stopped
T25 >> 1462753468.31658506 DistributedAtomicCorrection (267.12573s) started
T25 << 1462753469.39463997 DistributedAtomicCorrection (268.20379s) stopped
T25 >> 1462753469.39473796 Distribute overlap matrix (1467.70044s) started
T25 >> 1462753469.39476109 blocked summation (1435.29240s) started
T25 << 1462753475.20558190 blocked summation (1441.10322s) stopped
T25 >> 1462753475.21476793 Scalapack redistribute (29.85627s) started
T25 << 1462753475.32048512 Scalapack redistribute (29.96198s) stopped
T25 << 1462753475.32057905 Distribute overlap matrix (1473.62628s) stopped
T25 >> 1462753475.32613611 Blacs Orbital Layouts (15284.98255s) started
T25 >> 1462753475.33429599 General diagonalize (15219.23448s) started
T25 << 1462753534.17724895 General diagonalize (15278.07743s) stopped
T25 >> 1462753534.17732406 Redistribute coefs (5.20228s) started
T25 << 1462753534.20479894 Redistribute coefs (5.22976s) stopped
T25 >> 1462753534.20483899 Send coefs to domains (58.15754s) started
T25 << 1462753534.49865294 Send coefs to domains (58.45135s) stopped
T25 << 1462753534.49921989 Blacs Orbital Layouts (15344.15564s) stopped
T25 >> 1462753534.49924803 Calculate projections (1315.40608s) started
T25 << 1462753539.36847401 Calculate projections (1320.27531s) stopped
T25 << 1462753539.36889005 LCAO eigensolver (19048.72593s) stopped
T25 << 1462753540.69164801 SCF-cycle (50689.92945s) stopped
T25 >> 1462753543.49382401 Force calculation (2436.40427s) started
T25 >> 1462753543.49390411 LCAO forces (2185.05734s) started
T25 >> 1462753543.49428701 Initial (0.00063s) started
T25 << 1462753543.49429798 Initial (0.00064s) stopped
T25 >> 1462753543.50074601 Get density matrix (1020.54150s) started
T25 << 1462753552.84663606 Get density matrix (1029.88739s) stopped
T25 >> 1462753552.84667993 Potential (347.38174s) started
T25 << 1462753565.33683705 Potential (359.87190s) stopped
T25 >> 1462753565.33689404 Get density matrix (1029.88742s) started
T25 << 1462753592.99074006 Get density matrix (1057.54127s) stopped
T25 >> 1462753592.99079800 Prepare TCI loop (68.72544s) started
T25 >> 1462753592.99135208 Get neighbors (61.95229s) started
T25 << 1462753595.30538607 Get neighbors (64.26633s) stopped
T25 >> 1462753595.30573511 broadcast dH (6.73744s) started
T25 << 1462753595.53278208 broadcast dH (6.96448s) stopped
T25 << 1462753595.53283811 Prepare TCI loop (71.26748s) stopped
T25 >> 1462753595.53285789 Not so complicated loop (292.76916s) started
T25 << 1462753606.07248306 Not so complicated loop (303.30879s) stopped
T25 >> 1462753606.19290400 Complicated loop (452.01946s) started
T25 << 1462753622.46797109 Complicated loop (468.29453s) stopped
T25 >> 1462753622.47129107 Wait for sum (0.00287s) started
T25 << 1462753622.47137308 Wait for sum (0.00295s) stopped
T25 << 1462753622.47138691 LCAO forces (2264.03482s) stopped
T25 << 1462753631.67115688 Force calculation (2524.58160s) stopped
T25 >> 1462753631.69288397 Initialization (3660.76835s) started
T25 << 1462753631.69312811 Initialization (3660.76860s) stopped
T25 >> 1462753631.69340801 Initialization (3660.76862s) started
T25 << 1462753631.69356108 Initialization (3660.76877s) stopped
T25 >> 1462753631.69370794 Initialization (3660.76879s) started
T25 << 1462753631.69385600 Initialization (3660.76893s) stopped
T25 >> 1462753655.12982106 Initialization (3660.76895s) started
T25 >> 1462753655.26218295 Basic WFS set positions (3.82690s) started
T25 >> 1462753655.26220894 Redistribute (0.28439s) started
T25 << 1462753655.26234508 Redistribute (0.28453s) stopped
T25 << 1462753655.41757798 Basic WFS set positions (3.98230s) stopped
T25 >> 1462753655.41761494 Basis functions set positions (58.61363s) started
T25 << 1462753657.65013194 Basis functions set positions (60.84615s) stopped
T25 >> 1462753657.65743709 TCI: Calculate S, T, P (720.40267s) started
T25 << 1462753684.01841402 TCI: Calculate S, T, P (746.76365s) stopped
T25 >> 1462753684.01852393 blocked summation (709.12168s) started
T25 << 1462753715.65580297 blocked summation (740.75896s) stopped
T25 >> 1462753715.67135692 Scalapack redistribute (7.89356s) started
T25 << 1462753715.78555012 Scalapack redistribute (8.00775s) stopped
T25 >> 1462753715.78655410 blocked summation (740.75901s) started
T25 << 1462753717.02965403 blocked summation (742.00211s) stopped
T25 >> 1462753717.03917193 Scalapack redistribute (8.00779s) started
T25 << 1462753717.30209303 Scalapack redistribute (8.27071s) stopped
T25 >> 1462753717.30525208 Redistribute (0.79440s) started
T25 << 1462753717.30656409 Redistribute (0.79571s) stopped
T25 >> 1462753719.15531611 Redistribute (0.79573s) started
T25 << 1462753719.15658689 Redistribute (0.79700s) stopped
T25 >> 1462753719.18685007 LCAO WFS Initialize (2088.18799s) started
T25 >> 1462753719.18687606 Density initialize from wavefunctions (414.84719s) started
T25 >> 1462753719.19023705 Calculate density matrix (282.81539s) started
T25 << 1462753729.15639997 Calculate density matrix (292.78155s) stopped
T25 >> 1462753729.15645599 Construct density (45.86264s) started
T25 << 1462753730.80597401 Construct density (47.51216s) stopped
T25 >> 1462753730.81915808 Symmetrize density (0.00219s) started
T25 << 1462753730.81922102 Symmetrize density (0.00225s) stopped
T25 << 1462753733.84950805 Density initialize from wavefunctions (429.50982s) stopped
T25 >> 1462753733.85025191 Hamiltonian (1672.30418s) started
T25 >> 1462753733.85027194 vbar (0.73340s) started
T25 << 1462753733.87064290 vbar (0.75377s) stopped
T25 >> 1462753733.87075090 XC 3D grid (867.56423s) started
T25 >> 1462753734.43529701 van der Waals (838.86523s) started
T25 >> 1462753734.57446909 semilocal (191.43708s) started
T25 << 1462753741.32522988 semilocal (198.18784s) stopped
T25 >> 1462753741.38512206 redistribute (88.22808s) started
T25 << 1462753742.47519898 redistribute (89.31815s) stopped
T25 >> 1462753742.47530007 libvdwxc nonlocal (553.31964s) started
T25 << 1462753761.59211612 libvdwxc nonlocal (572.43645s) stopped
T25 >> 1462753761.59219289 redistribute (89.31819s) started
T25 << 1462753763.65035391 redistribute (91.37635s) stopped
T25 << 1462753763.65218401 van der Waals (868.08212s) stopped
T25 << 1462753764.13622499 XC 3D grid (897.82970s) stopped
T25 >> 1462753764.13626695 Poisson (418.81639s) started
T25 << 1462753776.22986102 Poisson (430.90998s) stopped
T25 >> 1462753776.22997594 Hartree integrate/restrict (11.46488s) started
T25 << 1462753776.26330709 Hartree integrate/restrict (11.49821s) stopped
T25 >> 1462753776.26346207 Hartree integrate/restrict (11.49833s) started
T25 << 1462753776.64830089 Hartree integrate/restrict (11.88316s) stopped
T25 >> 1462753776.70790911 Atomic (348.79437s) started
T25 >> 1462753776.72810006 XC Correction (261.33617s) started
T25 << 1462753787.56451893 XC Correction (272.17259s) stopped
T25 << 1462753791.87355494 Atomic (363.96002s) stopped
T25 >> 1462753791.87395406 Communicate (23.12429s) started
T25 << 1462753791.87420797 Communicate (23.12454s) stopped
T25 << 1462753791.87423110 Hamiltonian (1730.32816s) stopped
T25 << 1462753791.87429500 LCAO WFS Initialize (2160.87543s) stopped
T25 << 1462753791.88667488 Initialization (3797.52581s) stopped
T25 >> 1462753791.91614389 SCF-cycle (50689.92947s) started
T25 >> 1462753791.91619992 LCAO eigensolver (19048.72595s) started
T25 >> 1462753791.91621304 Potential matrix (640.90597s) started
T25 << 1462753794.32445002 Potential matrix (643.31421s) stopped
T25 >> 1462753794.32454610 DistributedAtomicCorrection (268.20382s) started
T25 << 1462753795.36196399 DistributedAtomicCorrection (269.24124s) stopped
T25 >> 1462753795.36201906 Distribute overlap matrix (1473.62630s) started
T25 >> 1462753795.36206698 blocked summation (1441.10325s) started
T25 << 1462753801.33768797 blocked summation (1447.07887s) stopped
T25 >> 1462753801.34726906 Scalapack redistribute (29.96204s) started
T25 << 1462753801.45064092 Scalapack redistribute (30.06541s) stopped
T25 << 1462753801.45076489 Distribute overlap matrix (1479.71504s) stopped
T25 >> 1462753801.45562601 Blacs Orbital Layouts (15344.15565s) started
T25 >> 1462753801.46374202 General diagonalize (15278.07750s) started
T25 << 1462753857.36281896 General diagonalize (15333.97657s) stopped
T25 >> 1462753857.36286497 Redistribute coefs (5.22979s) started
T25 << 1462753857.38704205 Redistribute coefs (5.25396s) stopped
T25 >> 1462753857.38709593 Send coefs to domains (58.45139s) started
T25 << 1462753857.47453690 Send coefs to domains (58.53883s) stopped
T25 << 1462753857.47513795 Blacs Orbital Layouts (15400.17517s) stopped
T25 >> 1462753857.47516608 Calculate projections (1320.27537s) started
T25 << 1462753862.29696989 Calculate projections (1325.09717s) stopped
T25 << 1462753862.29737711 LCAO eigensolver (19119.10713s) stopped
T25 >> 1462753863.71805692 Density (4168.70670s) started
T25 >> 1462753863.71807194 Pseudo density (3407.11755s) started
T25 >> 1462753863.72008705 Calculate density matrix (3004.19118s) started
T25 << 1462753876.35089707 Calculate density matrix (3016.82199s) stopped
T25 >> 1462753876.35095811 Construct density (392.97644s) started
T25 << 1462753878.01320004 Construct density (394.63869s) stopped
T25 >> 1462753878.02747798 Symmetrize density (0.01905s) started
T25 << 1462753878.02753997 Symmetrize density (0.01911s) stopped
T25 << 1462753878.02993608 Pseudo density (3421.42941s) stopped
T25 >> 1462753878.02999401 Atomic density matrices (633.65453s) started
T25 << 1462753880.71275997 Atomic density matrices (636.33729s) stopped
T25 >> 1462753880.71281004 Multipole moments (2.28246s) started
T25 << 1462753880.72353005 Multipole moments (2.29318s) stopped
T25 >> 1462753880.72359109 Normalize (2.02077s) started
T25 << 1462753880.73129702 Normalize (2.02847s) stopped
T25 >> 1462753880.73134303 Mix (123.60369s) started
T25 << 1462753881.14784694 Mix (124.02020s) stopped
T25 << 1462753881.14794993 Density (4186.13659s) stopped
T25 >> 1462753881.14837790 Hamiltonian (27122.56098s) started
T25 >> 1462753881.14844108 vbar (6.69514s) started
T25 << 1462753881.17591906 vbar (6.72261s) stopped
T25 >> 1462753881.17603588 XC 3D grid (22184.42614s) started
T25 >> 1462753881.67951894 van der Waals (21945.10198s) started
T25 >> 1462753881.80991912 semilocal (14185.53134s) started
T25 << 1462753888.40201497 semilocal (14192.12344s) stopped
T25 >> 1462753888.49376297 redistribute (3122.11006s) started
T25 << 1462753889.92873001 redistribute (3123.54503s) stopped
T25 >> 1462753889.92877412 libvdwxc nonlocal (4586.68284s) started
T25 << 1462753909.05181289 libvdwxc nonlocal (4605.80588s) stopped
T25 >> 1462753909.05187297 redistribute (3123.54506s) started
T25 << 1462753910.78136611 redistribute (3125.27456s) stopped
T25 << 1462753910.78332496 van der Waals (21974.20579s) stopped
T25 << 1462753911.26882195 XC 3D grid (22214.51893s) stopped
T25 >> 1462753911.26886201 Poisson (1970.97093s) started
T25 << 1462753917.18809700 Poisson (1976.89016s) stopped
T25 >> 1462753917.18817711 Hartree integrate/restrict (93.33505s) started
T25 << 1462753917.24480891 Hartree integrate/restrict (93.39168s) stopped
T25 >> 1462753917.24488497 Hartree integrate/restrict (93.39173s) started
T25 << 1462753917.56945395 Hartree integrate/restrict (93.71630s) stopped
T25 >> 1462753917.62950110 Atomic (2468.20981s) started
T25 >> 1462753917.64913893 XC Correction (1910.96401s) started
T25 << 1462753928.22906303 XC Correction (1921.54394s) stopped
T25 << 1462753932.73348808 Atomic (2483.31380s) stopped
T25 >> 1462753932.73382998 Communicate (385.15204s) started
T25 << 1462753932.73395109 Communicate (385.15216s) stopped
T25 << 1462753932.73397303 Hamiltonian (27174.14658s) stopped
T25 >> 1462753932.73407888 LCAO eigensolver (19119.10715s) started
T25 >> 1462753932.73409390 Potential matrix (643.31426s) started
T25 << 1462753935.14297605 Potential matrix (645.72314s) stopped
T25 >> 1462753935.14306808 DistributedAtomicCorrection (269.24129s) started
T25 << 1462753936.18629408 DistributedAtomicCorrection (270.28451s) stopped
T25 >> 1462753936.18639398 Distribute overlap matrix (1479.71506s) started
T25 >> 1462753936.18641806 blocked summation (1447.07891s) started
T25 << 1462753942.18039703 blocked summation (1453.07288s) stopped
T25 >> 1462753942.18973494 Scalapack redistribute (30.06549s) started
T25 << 1462753942.31861496 Scalapack redistribute (30.19437s) stopped
T25 << 1462753942.31868505 Distribute overlap matrix (1485.84735s) stopped
T25 >> 1462753942.32338500 Blacs Orbital Layouts (15400.17518s) started
T25 >> 1462753942.33214402 General diagonalize (15333.97661s) started
T25 << 1462754001.35150909 General diagonalize (15392.99597s) stopped
T25 >> 1462754001.35155702 Redistribute coefs (5.25401s) started
T25 << 1462754001.38004589 Redistribute coefs (5.28250s) stopped
T25 >> 1462754001.38008595 Send coefs to domains (58.53887s) started
T25 << 1462754001.68959498 Send coefs to domains (58.84838s) stopped
T25 << 1462754001.69031000 Blacs Orbital Layouts (15459.54211s) stopped
T25 >> 1462754001.69034195 Calculate projections (1325.09722s) started
T25 << 1462754006.53535295 Calculate projections (1329.94223s) stopped
T25 << 1462754006.53577089 LCAO eigensolver (19192.90884s) stopped
T25 >> 1462754007.88682103 Density (4186.13661s) started
T25 >> 1462754007.88683510 Pseudo density (3421.42946s) started
T25 >> 1462754007.88821101 Calculate density matrix (3016.82203s) started
T25 << 1462754020.64596510 Calculate density matrix (3029.57978s) stopped
T25 >> 1462754020.64602304 Construct density (394.63874s) started
T25 << 1462754022.29379296 Construct density (396.28651s) stopped
T25 >> 1462754022.30614805 Symmetrize density (0.01912s) started
T25 << 1462754022.30621195 Symmetrize density (0.01919s) stopped
T25 << 1462754022.30829501 Pseudo density (3435.85092s) stopped
T25 >> 1462754022.30835795 Atomic density matrices (636.33732s) started
T25 << 1462754025.01604509 Atomic density matrices (639.04500s) stopped
T25 >> 1462754025.01611400 Multipole moments (2.29320s) started
T25 << 1462754025.03126097 Multipole moments (2.30834s) stopped
T25 >> 1462754025.03132296 Normalize (2.02851s) started
T25 << 1462754025.03805208 Normalize (2.03524s) stopped
T25 >> 1462754025.03815889 Mix (124.02030s) started
T25 << 1462754025.51073599 Mix (124.49287s) stopped
T25 << 1462754025.51080704 Density (4203.76060s) stopped
T25 >> 1462754025.51114988 Hamiltonian (27174.14659s) started
T25 >> 1462754025.51117206 vbar (6.72268s) started
T25 << 1462754025.54304695 vbar (6.75455s) stopped
T25 >> 1462754025.54311800 XC 3D grid (22214.51896s) started
T25 >> 1462754026.04590297 van der Waals (21974.20588s) started
T25 >> 1462754026.17054009 semilocal (14192.12355s) started
T25 << 1462754033.15259099 semilocal (14199.10560s) stopped
T25 >> 1462754033.23086190 redistribute (3125.27465s) started
T25 << 1462754034.24818707 redistribute (3126.29198s) stopped
T25 >> 1462754034.24822998 libvdwxc nonlocal (4605.80592s) started
T25 << 1462754053.26008797 libvdwxc nonlocal (4624.81778s) stopped
T25 >> 1462754053.26014495 redistribute (3126.29201s) started
T25 << 1462754055.92083597 redistribute (3128.95270s) stopped
T25 << 1462754055.92231894 van der Waals (22004.08229s) stopped
T25 << 1462754056.40460110 XC 3D grid (22245.38044s) stopped
T25 >> 1462754056.40465498 Poisson (1976.89022s) started
T25 << 1462754062.19677901 Poisson (1982.68235s) stopped
T25 >> 1462754062.19691706 Hartree integrate/restrict (93.71635s) started
T25 << 1462754062.23154211 Hartree integrate/restrict (93.75098s) stopped
T25 >> 1462754062.23166800 Hartree integrate/restrict (93.75107s) started
T25 << 1462754062.58320999 Hartree integrate/restrict (94.10261s) stopped
T25 >> 1462754062.64104891 Atomic (2483.31382s) started
T25 >> 1462754062.66067195 XC Correction (1921.54396s) started
T25 << 1462754072.84107900 XC Correction (1931.72437s) stopped
T25 << 1462754077.10504508 Atomic (2497.77782s) stopped
T25 >> 1462754077.10535312 Communicate (385.15218s) started
T25 << 1462754077.10551500 Communicate (385.15234s) stopped
T25 << 1462754077.10553789 Hamiltonian (27225.74098s) stopped
T25 >> 1462754077.10563898 LCAO eigensolver (19192.90886s) started
T25 >> 1462754077.10565400 Potential matrix (645.72319s) started
T25 << 1462754079.50890994 Potential matrix (648.12645s) stopped
T25 >> 1462754079.50901508 DistributedAtomicCorrection (270.28455s) started
T25 << 1462754080.53527999 DistributedAtomicCorrection (271.31082s) stopped
T25 >> 1462754080.53538394 Distribute overlap matrix (1485.84736s) started
T25 >> 1462754080.53540993 blocked summation (1453.07292s) started
T25 << 1462754086.51652789 blocked summation (1459.05403s) stopped
T25 >> 1462754086.52650189 Scalapack redistribute (30.19440s) started
T25 << 1462754086.61543202 Scalapack redistribute (30.28333s) stopped
T25 << 1462754086.61551189 Distribute overlap matrix (1491.92749s) stopped
T25 >> 1462754086.62038803 Blacs Orbital Layouts (15459.54213s) started
T25 >> 1462754086.62857199 General diagonalize (15392.99601s) started
T25 << 1462754144.17558694 General diagonalize (15450.54303s) stopped
T25 >> 1462754144.17563391 Redistribute coefs (5.28253s) started
T25 << 1462754144.19304800 Redistribute coefs (5.29994s) stopped
T25 >> 1462754144.19308996 Send coefs to domains (58.84842s) started
T25 << 1462754144.29061103 Send coefs to domains (58.94594s) stopped
T25 << 1462754144.29112101 Blacs Orbital Layouts (15517.21287s) stopped
T25 >> 1462754144.29115510 Calculate projections (1329.94229s) started
T25 << 1462754149.14648795 Calculate projections (1334.79762s) stopped
T25 << 1462754149.14682102 LCAO eigensolver (19264.95004s) stopped
T25 >> 1462754150.55725503 Density (4203.76061s) started
T25 >> 1462754150.55726910 Pseudo density (3435.85097s) started
T25 >> 1462754150.55859709 Calculate density matrix (3029.57982s) started
T25 << 1462754163.23755002 Calculate density matrix (3042.25877s) stopped
T25 >> 1462754163.23760796 Construct density (396.28656s) started
T25 << 1462754164.88715291 Construct density (397.93611s) stopped
T25 >> 1462754164.89915705 Symmetrize density (0.01920s) started
T25 << 1462754164.89921999 Symmetrize density (0.01927s) stopped
T25 << 1462754164.90130997 Pseudo density (3450.19501s) stopped
T25 >> 1462754164.90137005 Atomic density matrices (639.04505s) started
T25 << 1462754167.59743500 Atomic density matrices (641.74111s) stopped
T25 >> 1462754167.59748507 Multipole moments (2.30836s) started
T25 << 1462754167.60832310 Multipole moments (2.31920s) stopped
T25 >> 1462754167.60838294 Normalize (2.03532s) started
T25 << 1462754167.61521506 Normalize (2.04216s) stopped
T25 >> 1462754167.61532092 Mix (124.49294s) started
T25 << 1462754168.13020897 Mix (125.00783s) stopped
T25 << 1462754168.13030410 Density (4221.33366s) stopped
T25 >> 1462754168.13064909 Hamiltonian (27225.74099s) started
T25 >> 1462754168.13067007 vbar (6.75459s) started
T25 << 1462754168.16524506 vbar (6.78916s) stopped
T25 >> 1462754168.16538811 XC 3D grid (22245.38049s) started
T25 >> 1462754168.67545390 van der Waals (22004.08233s) started
T25 >> 1462754168.80014706 semilocal (14199.10568s) started
T25 << 1462754175.19996905 semilocal (14205.50551s) stopped
T25 >> 1462754175.30188394 redistribute (3128.95280s) started
T25 << 1462754176.58344293 redistribute (3130.23436s) stopped
T25 >> 1462754176.58348489 libvdwxc nonlocal (4624.81782s) started
T25 << 1462754195.94199705 libvdwxc nonlocal (4644.17634s) stopped
T25 >> 1462754195.94206595 redistribute (3130.23439s) started
T25 << 1462754198.00608397 redistribute (3132.29841s) stopped
T25 << 1462754198.00723600 van der Waals (22033.41412s) stopped
T25 << 1462754198.50541711 XC 3D grid (22275.72052s) stopped
T25 >> 1462754198.50547194 Poisson (1982.68246s) started
T25 << 1462754204.27249694 Poisson (1988.44948s) stopped
T25 >> 1462754204.27260804 Hartree integrate/restrict (94.10264s) started
T25 << 1462754204.31132388 Hartree integrate/restrict (94.14136s) stopped
T25 >> 1462754204.31146789 Hartree integrate/restrict (94.14146s) started
T25 << 1462754204.67047000 Hartree integrate/restrict (94.50046s) stopped
T25 >> 1462754204.74484801 Atomic (2497.77784s) started
T25 >> 1462754204.76426697 XC Correction (1931.72440s) started
T25 << 1462754214.85467100 XC Correction (1941.81480s) stopped
T25 << 1462754218.65042710 Atomic (2511.68342s) stopped
T25 >> 1462754218.65071702 Communicate (385.15235s) started
T25 << 1462754218.65086508 Communicate (385.15250s) stopped
T25 << 1462754218.65088797 Hamiltonian (27276.26123s) stopped
T25 >> 1462754218.65098500 LCAO eigensolver (19264.95006s) started
T25 >> 1462754218.65100002 Potential matrix (648.12651s) started
T25 << 1462754221.05954504 Potential matrix (650.53505s) stopped
T25 >> 1462754221.05963707 DistributedAtomicCorrection (271.31086s) started
T25 << 1462754222.10435295 DistributedAtomicCorrection (272.35557s) stopped
T25 >> 1462754222.10444999 Distribute overlap matrix (1491.92751s) started
T25 >> 1462754222.10447407 blocked summation (1459.05407s) started
T25 << 1462754228.04922009 blocked summation (1464.99881s) stopped
T25 >> 1462754228.05849099 Scalapack redistribute (30.28337s) started
T25 << 1462754228.16367006 Scalapack redistribute (30.38855s) stopped
T25 << 1462754228.16377306 Distribute overlap matrix (1497.98683s) stopped
T25 >> 1462754228.16960001 Blacs Orbital Layouts (15517.21289s) started
T25 >> 1462754228.17796493 General diagonalize (15450.54307s) started
T25 << 1462754287.33925009 General diagonalize (15509.70435s) stopped
T25 >> 1462754287.33929801 Redistribute coefs (5.29997s) started
T25 << 1462754287.35670209 Redistribute coefs (5.31738s) stopped
T25 >> 1462754287.35675812 Send coefs to domains (58.94597s) started
T25 << 1462754287.51327205 Send coefs to domains (59.10249s) stopped
T25 << 1462754287.51385307 Blacs Orbital Layouts (15576.55714s) stopped
T25 >> 1462754287.51388597 Calculate projections (1334.79768s) started
T25 << 1462754292.32758188 Calculate projections (1339.61137s) stopped
T25 << 1462754292.32777190 LCAO eigensolver (19338.62684s) stopped
T25 >> 1462754293.82284093 Density (4221.33368s) started
T25 >> 1462754293.82285690 Pseudo density (3450.19506s) started
T25 >> 1462754293.82445407 Calculate density matrix (3042.25881s) started
T25 << 1462754306.55381203 Calculate density matrix (3054.98817s) stopped
T25 >> 1462754306.55387092 Construct density (397.93617s) started
T25 << 1462754308.21196604 Construct density (399.59426s) stopped
T25 >> 1462754308.22538710 Symmetrize density (0.01928s) started
T25 << 1462754308.22544289 Symmetrize density (0.01934s) stopped
T25 << 1462754308.22806096 Pseudo density (3464.60026s) stopped
T25 >> 1462754308.22811699 Atomic density matrices (641.74114s) started
T25 << 1462754310.91005993 Atomic density matrices (644.42308s) stopped
T25 >> 1462754310.91011095 Multipole moments (2.31922s) started
T25 << 1462754310.92033195 Multipole moments (2.32944s) stopped
T25 >> 1462754310.92039204 Normalize (2.04224s) started
T25 << 1462754310.93064499 Normalize (2.05249s) stopped
T25 >> 1462754310.93073106 Mix (125.00792s) started
T25 << 1462754311.51436496 Mix (125.59155s) stopped
T25 << 1462754311.51443791 Density (4239.02528s) stopped
T25 >> 1462754311.51467299 Hamiltonian (27276.26124s) started
T25 >> 1462754311.51468992 vbar (6.78925s) started
T25 << 1462754311.53676295 vbar (6.81132s) stopped
T25 >> 1462754311.53686094 XC 3D grid (22275.72056s) started
T25 >> 1462754312.03938389 van der Waals (22033.41418s) started
T25 >> 1462754312.16765499 semilocal (14205.50562s) started
T25 << 1462754382.52272892 semilocal (14275.86069s) stopped
T25 >> 1462754382.59062004 redistribute (3132.29850s) started
T25 << 1462754383.61325407 redistribute (3133.32113s) stopped
T25 >> 1462754383.61329699 libvdwxc nonlocal (4644.17639s) started
T25 << 1462754403.12314701 libvdwxc nonlocal (4663.68624s) stopped
T25 >> 1462754403.12321591 redistribute (3133.32116s) started
T25 << 1462754404.75580001 redistribute (3134.95375s) stopped
T25 << 1462754404.75770712 van der Waals (22126.13250s) stopped
T25 << 1462754405.26257610 XC 3D grid (22369.44627s) stopped
T25 >> 1462754405.26261902 Poisson (1988.44957s) started
T25 << 1462754409.71173406 Poisson (1992.89868s) stopped
T25 >> 1462754409.71181107 Hartree integrate/restrict (94.50055s) started
T25 << 1462754409.77551389 Hartree integrate/restrict (94.56425s) stopped
T25 >> 1462754409.77560902 Hartree integrate/restrict (94.56432s) started
T25 << 1462754410.09575105 Hartree integrate/restrict (94.88446s) stopped
T25 >> 1462754410.15449810 Atomic (2511.68344s) started
T25 >> 1462754410.17411208 XC Correction (1941.81482s) started
T25 << 1462754420.34318399 XC Correction (1951.98390s) stopped
T25 << 1462754423.92223191 Atomic (2525.45118s) stopped
T25 >> 1462754423.92248011 Communicate (385.15252s) started
T25 << 1462754423.92309403 Communicate (385.15313s) stopped
T25 << 1462754423.92311692 Hamiltonian (27388.66969s) stopped
T25 >> 1462754423.92321301 LCAO eigensolver (19338.62686s) started
T25 >> 1462754423.92322803 Potential matrix (650.53510s) started
T25 << 1462754426.32497311 Potential matrix (652.93685s) stopped
T25 >> 1462754426.32506704 DistributedAtomicCorrection (272.35561s) started
T25 << 1462754427.38455296 DistributedAtomicCorrection (273.41510s) stopped
T25 >> 1462754427.38465309 Distribute overlap matrix (1497.98684s) started
T25 >> 1462754427.38467693 blocked summation (1464.99885s) started
T25 << 1462754433.24288297 blocked summation (1470.85705s) stopped
T25 >> 1462754433.25178409 Scalapack redistribute (30.38861s) started
T25 << 1462754433.38732290 Scalapack redistribute (30.52415s) stopped
T25 << 1462754433.38741207 Distribute overlap matrix (1503.98960s) stopped
T25 >> 1462754433.39262390 Blacs Orbital Layouts (15576.55716s) started
T25 >> 1462754433.40155602 General diagonalize (15509.70439s) started
T25 << 1462754488.75524807 General diagonalize (15565.05808s) stopped
T25 >> 1462754488.75529695 Redistribute coefs (5.31742s) started
T25 << 1462754488.77240205 Redistribute coefs (5.33453s) stopped
T25 >> 1462754488.77244496 Send coefs to domains (59.10253s) started
T25 << 1462754488.88727403 Send coefs to domains (59.21736s) stopped
T25 << 1462754488.88792109 Blacs Orbital Layouts (15632.05246s) stopped
T25 >> 1462754488.88794899 Calculate projections (1339.61142s) started
T25 << 1462754493.70124602 Calculate projections (1344.42472s) stopped
T25 << 1462754493.70141912 LCAO eigensolver (19408.40507s) stopped
T25 >> 1462754495.29638600 Density (4239.02529s) started
T25 >> 1462754495.29640102 Pseudo density (3464.60031s) started
T25 >> 1462754495.29801512 Calculate density matrix (3054.98821s) started
T25 << 1462754507.88489699 Calculate density matrix (3067.57509s) stopped
T25 >> 1462754507.88495302 Construct density (399.59431s) started
T25 << 1462754509.53912091 Construct density (401.24848s) stopped
T25 >> 1462754509.55287910 Symmetrize density (0.01936s) started
T25 << 1462754509.55293489 Symmetrize density (0.01941s) stopped
T25 << 1462754509.55532002 Pseudo density (3478.85923s) stopped
T25 >> 1462754509.55537391 Atomic density matrices (644.42311s) started
T25 << 1462754512.22668600 Atomic density matrices (647.09442s) stopped
T25 >> 1462754512.22673607 Multipole moments (2.32945s) started
T25 << 1462754512.23824501 Multipole moments (2.34096s) stopped
T25 >> 1462754512.23830509 Normalize (2.05256s) started
T25 << 1462754512.24620390 Normalize (2.06046s) stopped
T25 >> 1462754512.24625111 Mix (125.59163s) started
T25 << 1462754512.82762289 Mix (126.17300s) stopped
T25 << 1462754512.82768393 Density (4256.55659s) stopped
T25 >> 1462754512.82792401 Hamiltonian (27388.66970s) started
T25 >> 1462754512.82794309 vbar (6.81137s) started
T25 << 1462754512.85193205 vbar (6.83536s) stopped
T25 >> 1462754512.85207605 XC 3D grid (22369.44631s) started
T25 >> 1462754513.34738898 van der Waals (22126.13257s) started
T25 >> 1462754513.47688603 semilocal (14275.86079s) started
T25 << 1462755119.25912595 semilocal (14881.64303s) stopped
T25 >> 1462755119.33440900 redistribute (3134.95382s) started
T25 << 1462755230.27994394 redistribute (3245.89935s) stopped
T25 >> 1462755230.27998996 libvdwxc nonlocal (4663.68629s) started
T25 << 1462755249.79312611 libvdwxc nonlocal (4683.19943s) stopped
T25 >> 1462755249.79318905 redistribute (3245.89939s) started
T25 << 1462755251.43375993 redistribute (3247.53996s) stopped
T25 << 1462755251.43538094 van der Waals (22864.22057s) stopped
T25 << 1462755251.93437910 XC 3D grid (23108.52861s) stopped
T25 >> 1462755251.93442297 Poisson (1992.89874s) started
T25 << 1462755256.74927497 Poisson (1997.71359s) stopped
T25 >> 1462755256.74936104 Hartree integrate/restrict (94.88450s) started
T25 << 1462755256.81318688 Hartree integrate/restrict (94.94832s) stopped
T25 >> 1462755256.81324100 Hartree integrate/restrict (94.94836s) started
T25 << 1462755257.18699193 Hartree integrate/restrict (95.32211s) stopped
T25 >> 1462755257.25078106 Atomic (2525.45120s) started
T25 >> 1462755257.27092910 XC Correction (1951.98392s) started
T25 << 1462755267.49335599 XC Correction (1962.20635s) stopped
T25 << 1462755271.01112390 Atomic (2539.21154s) stopped
T25 >> 1462755271.01142192 Communicate (385.15314s) started
T25 << 1462755271.03781295 Communicate (385.17953s) stopped
T25 << 1462755271.03783703 Hamiltonian (28146.87961s) stopped
T25 >> 1462755271.03794098 LCAO eigensolver (19408.40509s) started
T25 >> 1462755271.03796101 Potential matrix (652.93690s) started
T25 << 1462755273.44071007 Potential matrix (655.33965s) stopped
T25 >> 1462755273.44080710 DistributedAtomicCorrection (273.41513s) started
T25 << 1462755274.45670605 DistributedAtomicCorrection (274.43103s) stopped
T25 >> 1462755274.45681000 Distribute overlap matrix (1503.98961s) started
T25 >> 1462755274.45683694 blocked summation (1470.85709s) started
T25 << 1462755280.31301808 blocked summation (1476.71327s) stopped
T25 >> 1462755280.32253790 Scalapack redistribute (30.52420s) started
T25 << 1462755280.43083405 Scalapack redistribute (30.63250s) stopped
T25 << 1462755280.43090892 Distribute overlap matrix (1509.96371s) stopped
T25 >> 1462755280.43549800 Blacs Orbital Layouts (15632.05248s) started
T25 >> 1462755280.44364095 General diagonalize (15565.05812s) started
T25 << 1462755338.56496811 General diagonalize (15623.17945s) stopped
T25 >> 1462755338.56504798 Redistribute coefs (5.33456s) started
T25 << 1462755338.58222795 Redistribute coefs (5.35174s) stopped
T25 >> 1462755338.58227205 Send coefs to domains (59.21740s) started
T25 << 1462755338.68355799 Send coefs to domains (59.31869s) stopped
T25 << 1462755338.68414998 Blacs Orbital Layouts (15690.30113s) stopped
T25 >> 1462755338.68418002 Calculate projections (1344.42475s) started
T25 << 1462755343.50077200 Calculate projections (1349.24134s) stopped
T25 << 1462755343.50117397 LCAO eigensolver (19480.86832s) stopped
T25 << 1462755345.28787899 SCF-cycle (52243.30121s) stopped
T25 >> 1462755347.97122097 Force calculation (2524.58163s) started
T25 >> 1462755347.97130203 LCAO forces (2264.03483s) started
T25 >> 1462755347.97166896 Initial (0.00065s) started
T25 << 1462755347.97167993 Initial (0.00066s) stopped
T25 >> 1462755347.98492694 Get density matrix (1057.54130s) started
T25 << 1462755357.35083199 Get density matrix (1066.90720s) stopped
T25 >> 1462755357.35087395 Potential (359.87194s) started
T25 << 1462755369.82974601 Potential (372.35082s) stopped
T25 >> 1462755369.82979703 Get density matrix (1066.90724s) started
T25 << 1462755397.05117798 Get density matrix (1094.12862s) stopped
T25 >> 1462755397.05123806 Prepare TCI loop (71.26749s) started
T25 >> 1462755397.05178905 Get neighbors (64.26638s) started
T25 << 1462755399.26743293 Get neighbors (66.48202s) stopped
T25 >> 1462755399.26846290 broadcast dH (6.96452s) started
T25 << 1462755399.54554796 broadcast dH (7.24160s) stopped
T25 << 1462755399.54559588 Prepare TCI loop (73.76184s) stopped
T25 >> 1462755399.54561496 Not so complicated loop (303.30883s) started
T25 << 1462755410.15819001 Not so complicated loop (313.92140s) stopped
T25 >> 1462755410.27242804 Complicated loop (468.29457s) started
T25 << 1462755426.54830503 Complicated loop (484.57044s) stopped
T25 >> 1462755426.55099392 Wait for sum (0.00296s) started
T25 << 1462755426.55127907 Wait for sum (0.00325s) stopped
T25 << 1462755426.55129409 LCAO forces (2342.61482s) stopped
T25 << 1462755434.56628704 Force calculation (2611.17669s) stopped
T25 >> 1462755434.58705902 Initialization (3797.52583s) started
T25 << 1462755434.58728004 Initialization (3797.52605s) stopped
T25 >> 1462755434.58756495 Initialization (3797.52607s) started
T25 << 1462755434.58772111 Initialization (3797.52622s) stopped
T25 >> 1462755434.58787394 Initialization (3797.52624s) started
T25 << 1462755434.58802700 Initialization (3797.52639s) stopped
T25 >> 1462755457.94634199 Initialization (3797.52641s) started
T25 >> 1462755458.19628191 Basic WFS set positions (3.98233s) started
T25 >> 1462755458.19630504 Redistribute (0.28454s) started
T25 << 1462755458.19643497 Redistribute (0.28467s) stopped
T25 << 1462755458.35097909 Basic WFS set positions (4.13702s) stopped
T25 >> 1462755458.35101104 Basis functions set positions (60.84618s) started
T25 << 1462755460.51850700 Basis functions set positions (63.01368s) stopped
T25 >> 1462755460.52407408 TCI: Calculate S, T, P (746.76369s) started
T25 << 1462755487.37270403 TCI: Calculate S, T, P (773.61232s) stopped
T25 >> 1462755487.37280989 blocked summation (742.00214s) started
T25 << 1462755518.67230797 blocked summation (773.30164s) stopped
T25 >> 1462755518.68795204 Scalapack redistribute (8.27076s) started
T25 << 1462755518.78386998 Scalapack redistribute (8.36668s) stopped
T25 >> 1462755518.78485489 blocked summation (773.30168s) started
T25 << 1462755520.11368489 blocked summation (774.63051s) stopped
T25 >> 1462755520.12346101 Scalapack redistribute (8.36674s) started
T25 << 1462755520.24335694 Scalapack redistribute (8.48664s) stopped
T25 >> 1462755520.24669600 Redistribute (0.79704s) started
T25 << 1462755520.24789691 Redistribute (0.79825s) stopped
T25 >> 1462755522.28573394 Redistribute (0.79826s) started
T25 << 1462755522.28713393 Redistribute (0.79966s) stopped
T25 >> 1462755522.32299805 LCAO WFS Initialize (2160.87545s) started
T25 >> 1462755522.32303691 Density initialize from wavefunctions (429.50989s) started
T25 >> 1462755522.32607102 Calculate density matrix (292.78159s) started
T25 << 1462755532.32502794 Calculate density matrix (302.78055s) stopped
T25 >> 1462755532.32508206 Construct density (47.51222s) started
T25 << 1462755533.97378492 Construct density (49.16092s) stopped
T25 >> 1462755533.98602104 Symmetrize density (0.00227s) started
T25 << 1462755533.98608398 Symmetrize density (0.00233s) stopped
T25 << 1462755537.05031109 Density initialize from wavefunctions (444.23717s) stopped
T25 >> 1462755537.05106592 Hamiltonian (1730.32817s) started
T25 >> 1462755537.05108595 vbar (0.75383s) started
T25 << 1462755537.07437801 vbar (0.77712s) stopped
T25 >> 1462755537.07450604 XC 3D grid (897.82973s) started
T25 >> 1462755537.60372996 van der Waals (868.08220s) started
T25 >> 1462755537.73837495 semilocal (198.18790s) started
T25 << 1462755544.37954712 semilocal (204.82907s) stopped
T25 >> 1462755544.43981910 redistribute (91.37640s) started
T25 << 1462755545.48726892 redistribute (92.42385s) stopped
T25 >> 1462755545.48736906 libvdwxc nonlocal (572.43651s) started
T25 << 1462755564.76881599 libvdwxc nonlocal (591.71795s) stopped
T25 >> 1462755564.76889300 redistribute (92.42388s) started
T25 << 1462755566.81817102 redistribute (94.47316s) stopped
T25 << 1462755566.81989503 van der Waals (897.29837s) stopped
T25 << 1462755567.30028105 XC 3D grid (928.05551s) stopped
T25 >> 1462755567.30034304 Poisson (430.91007s) started
T25 << 1462755579.77319694 Poisson (443.38292s) stopped
T25 >> 1462755579.77335310 Hartree integrate/restrict (11.88320s) started
T25 << 1462755579.80807090 Hartree integrate/restrict (11.91792s) stopped
T25 >> 1462755579.80819011 Hartree integrate/restrict (11.91800s) started
T25 << 1462755580.19181991 Hartree integrate/restrict (12.30163s) stopped
T25 >> 1462755580.24212193 Atomic (363.96004s) started
T25 >> 1462755580.26280308 XC Correction (272.17262s) started
T25 << 1462755591.16358805 XC Correction (283.07340s) stopped
T25 << 1462755595.98541808 Atomic (379.70333s) stopped
T25 >> 1462755595.98587704 Communicate (23.12456s) started
T25 << 1462755595.98604488 Communicate (23.12473s) stopped
T25 << 1462755595.98606896 Hamiltonian (1789.26318s) stopped
T25 << 1462755595.98613501 LCAO WFS Initialize (2234.53859s) stopped
T25 << 1462755595.99867201 Initialization (3935.57874s) stopped
T25 >> 1462755596.02880812 SCF-cycle (52243.30123s) started
T25 >> 1462755596.02886701 LCAO eigensolver (19480.86834s) started
T25 >> 1462755596.02888107 Potential matrix (655.33971s) started
T25 << 1462755598.43061399 Potential matrix (657.74144s) stopped
T25 >> 1462755598.43071389 DistributedAtomicCorrection (274.43108s) started
T25 << 1462755599.45764399 DistributedAtomicCorrection (275.45801s) stopped
T25 >> 1462755599.45769310 Distribute overlap matrix (1509.96373s) started
T25 >> 1462755599.45777512 blocked summation (1476.71330s) started
T25 << 1462755605.32957911 blocked summation (1482.58510s) stopped
T25 >> 1462755605.34006691 Scalapack redistribute (30.63253s) started
T25 << 1462755605.45489001 Scalapack redistribute (30.74736s) stopped
T25 << 1462755605.45499301 Distribute overlap matrix (1515.96103s) stopped
T25 >> 1462755605.46195102 Blacs Orbital Layouts (15690.30115s) started
T25 >> 1462755605.47085905 General diagonalize (15623.17952s) started
T25 << 1462755664.70822191 General diagonalize (15682.41689s) stopped
T25 >> 1462755664.70827007 Redistribute coefs (5.35177s) started
T25 << 1462755664.72443509 Redistribute coefs (5.36794s) stopped
T25 >> 1462755664.72447801 Send coefs to domains (59.31873s) started
T25 << 1462755664.82676005 Send coefs to domains (59.42101s) stopped
T25 << 1462755664.82736206 Blacs Orbital Layouts (15749.66656s) stopped
T25 >> 1462755664.82738996 Calculate projections (1349.24139s) started
T25 << 1462755669.63759804 Calculate projections (1354.05160s) stopped
T25 << 1462755669.63799810 LCAO eigensolver (19554.47747s) stopped
T25 >> 1462755671.13222194 Density (4256.55660s) started
T25 >> 1462755671.13223696 Pseudo density (3478.85927s) started
T25 >> 1462755671.13401794 Calculate density matrix (3067.57513s) started
T25 << 1462755683.80186701 Calculate density matrix (3080.24298s) stopped
T25 >> 1462755683.80192709 Construct density (401.24853s) started
T25 << 1462755685.44725299 Construct density (402.89386s) stopped
T25 >> 1462755685.47141099 Symmetrize density (0.01943s) started
T25 << 1462755685.47147012 Symmetrize density (0.01949s) stopped
T25 << 1462755685.47379994 Pseudo density (3493.20083s) stopped
T25 >> 1462755685.47385502 Atomic density matrices (647.09444s) started
T25 << 1462755688.19624996 Atomic density matrices (649.81684s) stopped
T25 >> 1462755688.19630194 Multipole moments (2.34098s) started
T25 << 1462755688.20777512 Multipole moments (2.35245s) stopped
T25 >> 1462755688.20783901 Normalize (2.06049s) started
T25 << 1462755688.21481204 Normalize (2.06747s) stopped
T25 >> 1462755688.21485400 Mix (126.17306s) started
T25 << 1462755688.65675592 Mix (126.61496s) stopped
T25 << 1462755688.65683198 Density (4274.08121s) stopped
T25 >> 1462755688.65711308 Hamiltonian (28146.87963s) started
T25 >> 1462755688.65713406 vbar (6.83544s) started
T25 << 1462755688.68761706 vbar (6.86592s) stopped
T25 >> 1462755688.68776894 XC 3D grid (23108.52865s) started
T25 >> 1462755689.16945910 van der Waals (22864.22064s) started
T25 >> 1462755689.30370498 semilocal (14881.64311s) started
T25 << 1462755695.95894003 semilocal (14888.29834s) stopped
T25 >> 1462755696.03443909 redistribute (3247.54002s) started
T25 << 1462755697.05151200 redistribute (3248.55709s) stopped
T25 >> 1462755697.05155396 libvdwxc nonlocal (4683.19948s) started
T25 << 1462755715.88621497 libvdwxc nonlocal (4702.03414s) stopped
T25 >> 1462755715.88627911 redistribute (3248.55713s) started
T25 << 1462755717.82750201 redistribute (3250.49835s) stopped
T25 << 1462755717.82921410 van der Waals (22892.88040s) stopped
T25 << 1462755718.31022501 XC 3D grid (23138.15110s) stopped
T25 >> 1462755718.31027389 Poisson (1997.71365s) started
T25 << 1462755722.84073210 Poisson (2002.24411s) stopped
T25 >> 1462755722.84087992 Hartree integrate/restrict (95.32215s) started
T25 << 1462755722.87955809 Hartree integrate/restrict (95.36082s) stopped
T25 >> 1462755722.87964702 Hartree integrate/restrict (95.36088s) started
T25 << 1462755723.24676609 Hartree integrate/restrict (95.72800s) stopped
T25 >> 1462755723.30396390 Atomic (2539.21156s) started
T25 >> 1462755723.32399607 XC Correction (1962.20637s) started
T25 << 1462755734.04283404 XC Correction (1972.92521s) stopped
T25 << 1462755738.94521189 Atomic (2554.85281s) stopped
T25 >> 1462755738.94552803 Communicate (385.17955s) started
T25 << 1462755738.94588995 Communicate (385.17991s) stopped
T25 << 1462755738.94591403 Hamiltonian (28197.16843s) stopped
T25 >> 1462755738.94601893 LCAO eigensolver (19554.47749s) started
T25 >> 1462755738.94603491 Potential matrix (657.74150s) started
T25 << 1462755741.35659790 Potential matrix (660.15206s) stopped
T25 >> 1462755741.35669708 DistributedAtomicCorrection (275.45805s) started
T25 << 1462755742.38041496 DistributedAtomicCorrection (276.48177s) stopped
T25 >> 1462755742.38052297 Distribute overlap matrix (1515.96105s) started
T25 >> 1462755742.38054991 blocked summation (1482.58514s) started
T25 << 1462755748.42309308 blocked summation (1488.62768s) stopped
T25 >> 1462755748.43250108 Scalapack redistribute (30.74743s) started
T25 << 1462755748.53701401 Scalapack redistribute (30.85194s) stopped
T25 << 1462755748.53708792 Distribute overlap matrix (1522.11761s) stopped
T25 >> 1462755748.54173112 Blacs Orbital Layouts (15749.66658s) started
T25 >> 1462755748.55035710 General diagonalize (15682.41692s) started
T25 << 1462755805.11773491 General diagonalize (15738.98430s) stopped
T25 >> 1462755805.11782002 Redistribute coefs (5.36797s) started
T25 << 1462755805.13395000 Redistribute coefs (5.38410s) stopped
T25 >> 1462755805.13399506 Send coefs to domains (59.42105s) started
T25 << 1462755805.40502310 Send coefs to domains (59.69208s) stopped
T25 << 1462755805.40555501 Blacs Orbital Layouts (15806.53040s) stopped
T25 >> 1462755805.40558505 Calculate projections (1354.05165s) started
T25 << 1462755810.27257299 Calculate projections (1358.91864s) stopped
T25 << 1462755810.27290893 LCAO eigensolver (19625.80438s) stopped
T25 >> 1462755812.60278296 Density (4274.08123s) started
T25 >> 1462755812.60279894 Pseudo density (3493.20088s) started
T25 >> 1462755812.60406399 Calculate density matrix (3080.24302s) started
T25 << 1462755825.38801289 Calculate density matrix (3093.02697s) stopped
T25 >> 1462755825.38806701 Construct density (402.89391s) started
T25 << 1462755827.03935099 Construct density (404.54520s) stopped
T25 >> 1462755827.05195498 Symmetrize density (0.01951s) started
T25 << 1462755827.05202699 Symmetrize density (0.01958s) stopped
T25 << 1462755827.05412507 Pseudo density (3507.65220s) stopped
T25 >> 1462755827.05418491 Atomic density matrices (649.81686s) started
T25 << 1462755829.76272511 Atomic density matrices (652.52540s) stopped
T25 >> 1462755829.76277804 Multipole moments (2.35247s) started
T25 << 1462755829.77387404 Multipole moments (2.36356s) stopped
T25 >> 1462755829.77393794 Normalize (2.06750s) started
T25 << 1462755829.78079295 Normalize (2.07435s) stopped
T25 >> 1462755829.78083992 Mix (126.61503s) started
T25 << 1462755830.36420894 Mix (127.19840s) stopped
T25 << 1462755830.36427689 Density (4291.84272s) stopped
T25 >> 1462755830.36450601 Hamiltonian (28197.16844s) started
T25 >> 1462755830.36452389 vbar (6.86601s) started
T25 << 1462755830.38715506 vbar (6.88864s) stopped
T25 >> 1462755830.38725591 XC 3D grid (23138.15114s) started
T25 >> 1462755830.88599300 van der Waals (22892.88049s) started
T25 >> 1462755831.01982689 semilocal (14888.29843s) started
T25 << 1462755837.76709604 semilocal (14895.04570s) stopped
T25 >> 1462755837.86066890 redistribute (3250.49847s) started
T25 << 1462755839.03808808 redistribute (3251.67588s) stopped
T25 >> 1462755839.03813004 libvdwxc nonlocal (4702.03418s) started
T25 << 1462755858.18423104 libvdwxc nonlocal (4721.18029s) stopped
T25 >> 1462755858.18430400 redistribute (3251.67592s) started
T25 << 1462755860.23087001 redistribute (3253.72248s) stopped
T25 << 1462755860.23279190 van der Waals (22922.22729s) stopped
T25 << 1462755860.72015405 XC 3D grid (23168.48404s) stopped
T25 >> 1462755860.72020888 Poisson (2002.24423s) started
T25 << 1462755866.59939098 Poisson (2008.12341s) stopped
T25 >> 1462755866.59952402 Hartree integrate/restrict (95.72803s) started
T25 << 1462755866.63803601 Hartree integrate/restrict (95.76655s) stopped
T25 >> 1462755866.63819194 Hartree integrate/restrict (95.76665s) started
T25 << 1462755867.00356388 Hartree integrate/restrict (96.13203s) stopped
T25 >> 1462755867.06005192 Atomic (2554.85283s) started
T25 >> 1462755867.08009291 XC Correction (1972.92524s) started
T25 << 1462755877.42644691 XC Correction (1983.27159s) stopped
T25 << 1462755882.25803995 Atomic (2570.05082s) stopped
T25 >> 1462755882.25837398 Communicate (385.17993s) started
T25 << 1462755882.25848198 Communicate (385.18003s) stopped
T25 << 1462755882.25850511 Hamiltonian (28249.06244s) stopped
T25 >> 1462755882.25861406 LCAO eigensolver (19625.80440s) started
T25 >> 1462755882.25862908 Potential matrix (660.15211s) started
T25 << 1462755884.67748594 Potential matrix (662.57097s) stopped
T25 >> 1462755884.67758703 DistributedAtomicCorrection (276.48181s) started
T25 << 1462755885.69690609 DistributedAtomicCorrection (277.50113s) stopped
T25 >> 1462755885.69702005 Distribute overlap matrix (1522.11763s) started
T25 >> 1462755885.69704604 blocked summation (1488.62771s) started
T25 << 1462755891.63138795 blocked summation (1494.56205s) stopped
T25 >> 1462755891.64127207 Scalapack redistribute (30.85200s) started
T25 << 1462755891.74691391 Scalapack redistribute (30.95764s) stopped
T25 << 1462755891.74697089 Distribute overlap matrix (1528.16758s) stopped
T25 >> 1462755891.75258398 Blacs Orbital Layouts (15806.53043s) started
T25 >> 1462755891.76107192 General diagonalize (15738.98437s) started
T25 << 1462755951.95219207 General diagonalize (15799.17549s) stopped
T25 >> 1462755951.95229197 Redistribute coefs (5.38413s) started
T25 << 1462755951.98118305 Redistribute coefs (5.41303s) stopped
T25 >> 1462755951.98124504 Send coefs to domains (59.69211s) started
T25 << 1462755952.18101406 Send coefs to domains (59.89188s) stopped
T25 << 1462755952.18167305 Blacs Orbital Layouts (15866.95951s) stopped
T25 >> 1462755952.18170190 Calculate projections (1358.91870s) started
T25 << 1462755956.99040389 Calculate projections (1363.72740s) stopped
T25 << 1462755956.99080300 LCAO eigensolver (19700.53659s) stopped
T25 >> 1462755958.98988199 Density (4291.84274s) started
T25 >> 1462755958.98989606 Pseudo density (3507.65225s) started
T25 >> 1462755958.99191308 Calculate density matrix (3093.02700s) started
T25 << 1462755971.63768411 Calculate density matrix (3105.67277s) stopped
T25 >> 1462755971.63774204 Construct density (404.54525s) started
T25 << 1462755973.28537107 Construct density (406.19288s) stopped
T25 >> 1462755973.29932690 Symmetrize density (0.01959s) started
T25 << 1462755973.29938412 Symmetrize density (0.01965s) stopped
T25 << 1462755973.30173707 Pseudo density (3521.96409s) stopped
T25 >> 1462755973.30179191 Atomic density matrices (652.52543s) started
T25 << 1462755976.00012493 Atomic density matrices (655.22376s) stopped
T25 >> 1462755976.00017691 Multipole moments (2.36358s) started
T25 << 1462755976.01387596 Multipole moments (2.37728s) stopped
T25 >> 1462755976.01393509 Normalize (2.07439s) started
T25 << 1462755976.02413201 Normalize (2.08459s) stopped
T25 >> 1462755976.02422094 Mix (127.19847s) started
T25 << 1462755976.53348994 Mix (127.70774s) stopped
T25 << 1462755976.53355098 Density (4309.38641s) stopped
T25 >> 1462755976.53383994 Hamiltonian (28249.06245s) started
T25 >> 1462755976.53385806 vbar (6.88870s) started
T25 << 1462755976.56185889 vbar (6.91670s) stopped
T25 >> 1462755976.56196594 XC 3D grid (23168.48409s) started
T25 >> 1462755977.05641198 van der Waals (22922.22739s) started
T25 >> 1462755977.18768096 semilocal (14895.04580s) started
T25 << 1462755983.78758502 semilocal (14901.64570s) stopped
T25 >> 1462755983.85966301 redistribute (3253.72255s) started
T25 << 1462755984.96543908 redistribute (3254.82833s) stopped
T25 >> 1462755984.96548390 libvdwxc nonlocal (4721.18034s) started
T25 << 1462756005.30052209 libvdwxc nonlocal (4741.51538s) stopped
T25 >> 1462756005.30058789 redistribute (3254.82836s) started
T25 << 1462756006.93465495 redistribute (3256.46243s) stopped
T25 << 1462756006.93685389 van der Waals (22952.10784s) stopped
T25 << 1462756007.42351389 XC 3D grid (23199.34563s) stopped
T25 >> 1462756007.42355895 Poisson (2008.12351s) started
T25 << 1462756013.41171098 Poisson (2014.11166s) stopped
T25 >> 1462756013.41182899 Hartree integrate/restrict (96.13209s) started
T25 << 1462756013.47873306 Hartree integrate/restrict (96.19899s) stopped
T25 >> 1462756013.47879601 Hartree integrate/restrict (96.19903s) started
T25 << 1462756013.80912399 Hartree integrate/restrict (96.52936s) stopped
T25 >> 1462756013.86997509 Atomic (2570.05085s) started
T25 >> 1462756013.88985896 XC Correction (1983.27162s) started
T25 << 1462756024.03850603 XC Correction (1993.42027s) stopped
T25 << 1462756028.23658204 Atomic (2584.41745s) stopped
T25 >> 1462756028.23691702 Communicate (385.18005s) started
T25 << 1462756028.23703408 Communicate (385.18016s) stopped
T25 << 1462756028.23706198 Hamiltonian (28300.76567s) stopped
T25 >> 1462756028.23716593 LCAO eigensolver (19700.53661s) started
T25 >> 1462756028.23718095 Potential matrix (662.57103s) started
T25 << 1462756030.64886308 Potential matrix (664.98271s) stopped
T25 >> 1462756030.64895391 DistributedAtomicCorrection (277.50117s) started
T25 << 1462756031.67233300 DistributedAtomicCorrection (278.52455s) stopped
T25 >> 1462756031.67243290 Distribute overlap matrix (1528.16760s) started
T25 >> 1462756031.67245698 blocked summation (1494.56209s) started
T25 << 1462756037.57468796 blocked summation (1500.46432s) stopped
T25 >> 1462756037.58528709 Scalapack redistribute (30.95767s) started
T25 << 1462756037.69939804 Scalapack redistribute (31.07178s) stopped
T25 << 1462756037.69947910 Distribute overlap matrix (1534.19464s) stopped
T25 >> 1462756037.70530701 Blacs Orbital Layouts (15866.95953s) started
T25 >> 1462756037.71348405 General diagonalize (15799.17558s) started
T25 << 1462756097.76606798 General diagonalize (15859.22816s) stopped
T25 >> 1462756097.76612902 Redistribute coefs (5.41308s) started
T25 << 1462756097.78149009 Redistribute coefs (5.42844s) stopped
T25 >> 1462756097.78153110 Send coefs to domains (59.89194s) started
T25 << 1462756098.01626110 Send coefs to domains (60.12667s) stopped
T25 << 1462756098.01689911 Blacs Orbital Layouts (15927.27112s) stopped
T25 >> 1462756098.01692891 Calculate projections (1363.72745s) started
T25 << 1462756102.87553692 Calculate projections (1368.58606s) stopped
T25 << 1462756102.87593889 LCAO eigensolver (19775.17538s) stopped
T25 >> 1462756104.31190896 Density (4309.38642s) started
T25 >> 1462756104.31192303 Pseudo density (3521.96414s) started
T25 >> 1462756104.31315088 Calculate density matrix (3105.67281s) started
T25 << 1462756117.08040190 Calculate density matrix (3118.44006s) stopped
T25 >> 1462756117.08045506 Construct density (406.19294s) started
T25 << 1462756118.72226596 Construct density (407.83475s) stopped
T25 >> 1462756118.73492599 Symmetrize density (0.01967s) started
T25 << 1462756118.73499107 Symmetrize density (0.01973s) stopped
T25 << 1462756118.73707509 Pseudo density (3536.38929s) stopped
T25 >> 1462756118.73713303 Atomic density matrices (655.22379s) started
T25 << 1462756121.45254993 Atomic density matrices (657.93921s) stopped
T25 >> 1462756121.45260310 Multipole moments (2.37730s) started
T25 << 1462756121.46288705 Multipole moments (2.38758s) stopped
T25 >> 1462756121.46294689 Normalize (2.08466s) started
T25 << 1462756121.46977210 Normalize (2.09149s) stopped
T25 >> 1462756121.46984911 Mix (127.70779s) started
T25 << 1462756122.05101395 Mix (128.28896s) stopped
T25 << 1462756122.05107307 Density (4327.12559s) stopped
T25 >> 1462756122.05127192 Hamiltonian (28300.76569s) started
T25 >> 1462756122.05128789 vbar (6.91675s) started
T25 << 1462756122.06963110 vbar (6.93510s) stopped
T25 >> 1462756122.06973600 XC 3D grid (23199.34567s) started
T25 >> 1462756122.72645307 van der Waals (22952.10792s) started
T25 >> 1462756122.85986590 semilocal (14901.64577s) started
T25 << 1462756129.46002507 semilocal (14908.24593s) stopped
T25 >> 1462756129.56955194 redistribute (3256.46255s) started
T25 << 1462756188.88302207 redistribute (3315.77602s) stopped
T25 >> 1462756188.88306403 libvdwxc nonlocal (4741.51543s) started
T25 << 1462756207.79686499 libvdwxc nonlocal (4760.42923s) stopped
T25 >> 1462756207.79693103 redistribute (3315.77606s) started
T25 << 1462756209.69882894 redistribute (3317.67795s) stopped
T25 << 1462756209.70083308 van der Waals (23039.08230s) stopped
T25 << 1462756210.18865108 XC 3D grid (23287.46459s) stopped
T25 >> 1462756210.18869209 Poisson (2014.11175s) started
T25 << 1462756215.18464398 Poisson (2019.10770s) stopped
T25 >> 1462756215.18477011 Hartree integrate/restrict (96.52941s) started
T25 << 1462756215.22369289 Hartree integrate/restrict (96.56833s) stopped
T25 >> 1462756215.22377396 Hartree integrate/restrict (96.56838s) started
T25 << 1462756215.57419610 Hartree integrate/restrict (96.91880s) stopped
T25 >> 1462756215.63085794 Atomic (2584.41748s) started
T25 >> 1462756215.65075898 XC Correction (1993.42030s) started
T25 << 1462756225.74007511 XC Correction (2003.50961s) stopped
T25 << 1462756229.65161395 Atomic (2598.43823s) stopped
T25 >> 1462756229.65188503 Communicate (385.18018s) started
T25 << 1462756229.65234089 Communicate (385.18064s) stopped
T25 << 1462756229.65236402 Hamiltonian (28408.36678s) stopped
T25 >> 1462756229.65246511 LCAO eigensolver (19775.17540s) started
T25 >> 1462756229.65247989 Potential matrix (664.98276s) started
T25 << 1462756232.06280398 Potential matrix (667.39309s) stopped
T25 >> 1462756232.06290102 DistributedAtomicCorrection (278.52458s) started
T25 << 1462756233.09208393 DistributedAtomicCorrection (279.55377s) stopped
T25 >> 1462756233.09218788 Distribute overlap matrix (1534.19465s) started
T25 >> 1462756233.09221411 blocked summation (1500.46435s) started
T25 << 1462756239.04667091 blocked summation (1506.41881s) stopped
T25 >> 1462756239.05631590 Scalapack redistribute (31.07183s) started
T25 << 1462756239.16097903 Scalapack redistribute (31.17649s) stopped
T25 << 1462756239.16107798 Distribute overlap matrix (1540.26354s) stopped
T25 >> 1462756239.16671300 Blacs Orbital Layouts (15927.27114s) started
T25 >> 1462756239.17489100 General diagonalize (15859.22821s) started
T25 << 1462756296.95857811 General diagonalize (15917.01190s) stopped
T25 >> 1462756296.95864511 Redistribute coefs (5.42847s) started
T25 << 1462756296.97461891 Redistribute coefs (5.44445s) stopped
T25 >> 1462756296.97467589 Send coefs to domains (60.12670s) started
T25 << 1462756297.07566094 Send coefs to domains (60.22769s) stopped
T25 << 1462756297.07613206 Blacs Orbital Layouts (15985.18056s) stopped
T25 >> 1462756297.07616401 Calculate projections (1368.58611s) started
T25 << 1462756301.93702412 Calculate projections (1373.44697s) stopped
T25 << 1462756301.93734598 LCAO eigensolver (19847.46028s) stopped
T25 >> 1462756303.37379503 Density (4327.12560s) started
T25 >> 1462756303.37381101 Pseudo density (3536.38933s) started
T25 >> 1462756303.37503600 Calculate density matrix (3118.44010s) started
T25 << 1462756316.02959394 Calculate density matrix (3131.09466s) stopped
T25 >> 1462756316.02964807 Construct density (407.83480s) started
T25 << 1462756317.67350006 Construct density (409.47865s) stopped
T25 >> 1462756317.68618107 Symmetrize density (0.01975s) started
T25 << 1462756317.68624401 Symmetrize density (0.01981s) stopped
T25 << 1462756317.68831801 Pseudo density (3550.70384s) stopped
T25 >> 1462756317.68838000 Atomic density matrices (657.93923s) started
T25 << 1462756320.39567709 Atomic density matrices (660.64653s) stopped
T25 >> 1462756320.39572811 Multipole moments (2.38760s) started
T25 << 1462756320.40793300 Multipole moments (2.39981s) stopped
T25 >> 1462756320.40799403 Normalize (2.09155s) started
T25 << 1462756320.41478109 Normalize (2.09833s) stopped
T25 >> 1462756320.41489196 Mix (128.28902s) started
T25 << 1462756320.94832611 Mix (128.82245s) stopped
T25 << 1462756320.94838405 Density (4344.70019s) stopped
T25 >> 1462756320.94867802 Hamiltonian (28408.36679s) started
T25 >> 1462756320.94869995 vbar (6.93515s) started
T25 << 1462756320.98048806 vbar (6.96694s) stopped
T25 >> 1462756320.98063397 XC 3D grid (23287.46462s) started
T25 >> 1462756321.47360206 van der Waals (23039.08237s) started
T25 >> 1462756321.60469604 semilocal (14908.24605s) started
T25 << 1462756819.03324294 semilocal (15405.67460s) stopped
T25 >> 1462756819.12777400 redistribute (3317.67803s) started
T25 << 1462756820.27112699 redistribute (3318.82138s) stopped
T25 >> 1462756820.27116990 libvdwxc nonlocal (4760.42928s) started
T25 << 1462756839.20382810 libvdwxc nonlocal (4779.36194s) stopped
T25 >> 1462756839.20387101 redistribute (3318.82141s) started
T25 << 1462756841.11314392 redistribute (3320.73069s) stopped
T25 << 1462756841.11441112 van der Waals (23558.72318s) stopped
T25 << 1462756841.60827208 XC 3D grid (23808.09225s) stopped
T25 >> 1462756841.60833001 Poisson (2019.10780s) started
T25 << 1462756845.98686099 Poisson (2023.48633s) stopped
T25 >> 1462756845.98697400 Hartree integrate/restrict (96.91887s) started
T25 << 1462756846.02521300 Hartree integrate/restrict (96.95711s) stopped
T25 >> 1462756846.02527404 Hartree integrate/restrict (96.95715s) started
T25 << 1462756846.38973904 Hartree integrate/restrict (97.32161s) stopped
T25 >> 1462756846.46395206 Atomic (2598.43825s) started
T25 >> 1462756846.48417091 XC Correction (2003.50964s) started
T25 << 1462756856.73862791 XC Correction (2013.76410s) stopped
T25 << 1462756860.41968489 Atomic (2612.39399s) stopped
T25 >> 1462756860.42003202 Communicate (385.18065s) started
T25 << 1462756860.42015696 Communicate (385.18078s) stopped
T25 << 1462756860.42018008 Hamiltonian (28947.83829s) stopped
T25 >> 1462756860.42028308 LCAO eigensolver (19847.46030s) started
T25 >> 1462756860.42029810 Potential matrix (667.39314s) started
T25 << 1462756862.84055400 Potential matrix (669.81340s) stopped
T25 >> 1462756862.84065390 DistributedAtomicCorrection (279.55381s) started
T25 << 1462756863.87497091 DistributedAtomicCorrection (280.58812s) stopped
T25 >> 1462756863.87508011 Distribute overlap matrix (1540.26356s) started
T25 >> 1462756863.87510610 blocked summation (1506.41884s) started
T25 << 1462756869.84429789 blocked summation (1512.38803s) stopped
T25 >> 1462756869.85399199 Scalapack redistribute (31.17655s) started
T25 << 1462756869.95611596 Scalapack redistribute (31.27868s) stopped
T25 << 1462756869.95620894 Distribute overlap matrix (1546.34469s) stopped
T25 >> 1462756869.96174693 Blacs Orbital Layouts (15985.18059s) started
T25 >> 1462756869.96984911 General diagonalize (15917.01195s) started
T25 << 1462756934.04874802 General diagonalize (15981.09085s) stopped
T25 >> 1462756934.04879689 Redistribute coefs (5.44449s) started
T25 << 1462756934.07547307 Redistribute coefs (5.47117s) stopped
T25 >> 1462756934.07551193 Send coefs to domains (60.22772s) started
T25 << 1462756934.59534097 Send coefs to domains (60.74755s) stopped
T25 << 1462756934.59582996 Blacs Orbital Layouts (16049.81467s) stopped
T25 >> 1462756934.59586000 Calculate projections (1373.44703s) started
T25 << 1462756939.46608710 Calculate projections (1378.31726s) stopped
T25 << 1462756939.46627688 LCAO eigensolver (19926.50629s) stopped
T25 << 1462756940.91311002 SCF-cycle (53588.18553s) stopped
T25 >> 1462756943.61654210 Force calculation (2611.17672s) started
T25 >> 1462756943.61662412 LCAO forces (2342.61483s) started
T25 >> 1462756943.61701012 Initial (0.00067s) started
T25 << 1462756943.61702108 Initial (0.00069s) stopped
T25 >> 1462756943.62343097 Get density matrix (1094.12865s) started
T25 << 1462756952.99599290 Get density matrix (1103.50121s) stopped
T25 >> 1462756952.99604511 Potential (372.35086s) started
T25 << 1462756965.48683906 Potential (384.84165s) stopped
T25 >> 1462756965.48689699 Get density matrix (1103.50125s) started
T25 << 1462756992.68837595 Get density matrix (1130.70273s) stopped
T25 >> 1462756992.68843603 Prepare TCI loop (73.76185s) started
T25 >> 1462756992.68900490 Get neighbors (66.48207s) started
T25 << 1462756995.01656795 Get neighbors (68.80963s) stopped
T25 >> 1462756995.01780009 broadcast dH (7.24163s) started
T25 << 1462756995.13308811 broadcast dH (7.35692s) stopped
T25 << 1462756995.13313794 Prepare TCI loop (76.20656s) stopped
T25 >> 1462756995.13315797 Not so complicated loop (313.92144s) started
T25 << 1462757005.69999909 Not so complicated loop (324.48828s) stopped
T25 >> 1462757005.81926107 Complicated loop (484.57048s) started
T25 << 1462757022.06935811 Complicated loop (500.82058s) stopped
T25 >> 1462757022.07200599 Wait for sum (0.00326s) started
T25 << 1462757022.07209110 Wait for sum (0.00335s) stopped
T25 << 1462757022.07210493 LCAO forces (2421.07031s) stopped
T25 << 1462757031.66109109 Force calculation (2699.22127s) stopped
T25 >> 1462757031.68285203 Initialization (3935.57876s) started
T25 << 1462757031.68308306 Initialization (3935.57899s) stopped
T25 >> 1462757031.68340302 Initialization (3935.57901s) started
T25 << 1462757031.68355107 Initialization (3935.57916s) stopped
T25 >> 1462757031.68369508 Initialization (3935.57918s) started
T25 << 1462757031.68384409 Initialization (3935.57933s) stopped
T25 >> 1462757055.03679609 Initialization (3935.57934s) started
T25 >> 1462757055.30220604 Basic WFS set positions (4.13705s) started
T25 >> 1462757055.30223203 Redistribute (0.28469s) started
T25 << 1462757055.30237794 Redistribute (0.28483s) stopped
T25 << 1462757055.45695210 Basic WFS set positions (4.29180s) stopped
T25 >> 1462757055.45698190 Basis functions set positions (63.01371s) started
T25 << 1462757057.62909603 Basis functions set positions (65.18582s) stopped
T25 >> 1462757057.63523293 TCI: Calculate S, T, P (773.61235s) started
T25 << 1462757084.41880107 TCI: Calculate S, T, P (800.39592s) stopped
T25 >> 1462757084.41891003 blocked summation (774.63055s) started
T25 << 1462757116.05413103 blocked summation (806.26577s) stopped
T25 >> 1462757116.06629300 Scalapack redistribute (8.48668s) started
T25 << 1462757116.19888210 Scalapack redistribute (8.61927s) stopped
T25 >> 1462757116.20013499 blocked summation (806.26583s) started
T25 << 1462757117.41174102 blocked summation (807.47744s) stopped
T25 >> 1462757117.42127705 Scalapack redistribute (8.61933s) started
T25 << 1462757117.59284210 Scalapack redistribute (8.79090s) stopped
T25 >> 1462757117.59768200 Redistribute (0.79974s) started
T25 << 1462757117.59888196 Redistribute (0.80094s) stopped
T25 >> 1462757119.66163611 Redistribute (0.80095s) started
T25 << 1462757119.66314912 Redistribute (0.80247s) stopped
T25 >> 1462757119.68660212 LCAO WFS Initialize (2234.53860s) started
T25 >> 1462757119.68663311 Density initialize from wavefunctions (444.23721s) started
T25 >> 1462757119.68998599 Calculate density matrix (302.78059s) started
T25 << 1462757129.71071005 Calculate density matrix (312.80131s) stopped
T25 >> 1462757129.71076894 Construct density (49.16098s) started
T25 << 1462757131.37047291 Construct density (50.82068s) stopped
T25 >> 1462757131.38532495 Symmetrize density (0.00235s) started
T25 << 1462757131.38538408 Symmetrize density (0.00241s) stopped
T25 << 1462757134.43118691 Density initialize from wavefunctions (458.98176s) stopped
T25 >> 1462757134.43220091 Hamiltonian (1789.26319s) started
T25 >> 1462757134.43225408 vbar (0.77719s) started
T25 << 1462757134.45773005 vbar (0.80267s) stopped
T25 >> 1462757134.45784593 XC 3D grid (928.05556s) started
T25 >> 1462757134.96966195 van der Waals (897.29844s) started
T25 >> 1462757135.10353088 semilocal (204.82915s) started
T25 << 1462757141.78060603 semilocal (211.50622s) stopped
T25 >> 1462757141.85215592 redistribute (94.47325s) started
T25 << 1462757143.01177597 redistribute (95.63287s) stopped
T25 >> 1462757143.01187396 libvdwxc nonlocal (591.71801s) started
T25 << 1462757162.65306091 libvdwxc nonlocal (611.35919s) stopped
T25 >> 1462757162.65313697 redistribute (95.63291s) started
T25 << 1462757164.29939389 redistribute (97.27916s) stopped
T25 << 1462757164.30174899 van der Waals (926.63052s) stopped
T25 << 1462757164.78341293 XC 3D grid (958.38113s) stopped
T25 >> 1462757164.78345799 Poisson (443.38305s) started
T25 << 1462757177.92999911 Poisson (456.52959s) stopped
T25 >> 1462757177.93008590 Hartree integrate/restrict (12.30166s) started
T25 << 1462757177.97435498 Hartree integrate/restrict (12.34593s) stopped
T25 >> 1462757177.97442508 Hartree integrate/restrict (12.34597s) started
T25 << 1462757178.31797504 Hartree integrate/restrict (12.68952s) stopped
T25 >> 1462757178.37334108 Atomic (379.70336s) started
T25 >> 1462757178.39306998 XC Correction (283.07343s) started
T25 << 1462757189.04091406 XC Correction (293.72128s) stopped
T25 << 1462757193.93516898 Atomic (395.26519s) stopped
T25 >> 1462757193.93558788 Communicate (23.12474s) started
T25 << 1462757193.93577600 Communicate (23.12493s) stopped
T25 << 1462757193.93579888 Hamiltonian (1848.76679s) stopped
T25 << 1462757193.93586111 LCAO WFS Initialize (2308.78786s) stopped
T25 << 1462757193.94833994 Initialization (4074.49089s) stopped
T25 >> 1462757193.97825909 SCF-cycle (53588.18555s) started
T25 >> 1462757193.97831202 LCAO eigensolver (19926.50631s) started
T25 >> 1462757193.97832608 Potential matrix (669.81345s) started
T25 << 1462757196.37974906 Potential matrix (672.21488s) stopped
T25 >> 1462757196.37984896 DistributedAtomicCorrection (280.58817s) started
T25 << 1462757197.39098001 DistributedAtomicCorrection (281.59930s) stopped
T25 >> 1462757197.39102507 Distribute overlap matrix (1546.34470s) started
T25 >> 1462757197.39106393 blocked summation (1512.38808s) started
T25 << 1462757203.36393690 blocked summation (1518.36096s) stopped
T25 >> 1462757203.37367606 Scalapack redistribute (31.27873s) started
T25 << 1462757203.48089790 Scalapack redistribute (31.38595s) stopped
T25 << 1462757203.48100400 Distribute overlap matrix (1552.43468s) stopped
T25 >> 1462757203.48700404 Blacs Orbital Layouts (16049.81469s) started
T25 >> 1462757203.49457407 General diagonalize (15981.09089s) started
T25 << 1462757260.47933292 General diagonalize (16038.07565s) stopped
T25 >> 1462757260.47938609 Redistribute coefs (5.47120s) started
T25 << 1462757260.49596596 Redistribute coefs (5.48778s) stopped
T25 >> 1462757260.49601197 Send coefs to domains (60.74759s) started
T25 << 1462757260.66693997 Send coefs to domains (60.91852s) stopped
T25 << 1462757260.66725707 Blacs Orbital Layouts (16106.99494s) stopped
T25 >> 1462757260.66728711 Calculate projections (1378.31732s) started
T25 << 1462757265.51084208 Calculate projections (1383.16088s) stopped
T25 << 1462757265.51117396 LCAO eigensolver (19998.03917s) stopped
T25 >> 1462757267.09432101 Density (4344.70021s) started
T25 >> 1462757267.09433603 Pseudo density (3550.70389s) started
T25 >> 1462757267.09585500 Calculate density matrix (3131.09469s) started
T25 << 1462757280.62336707 Calculate density matrix (3144.62220s) stopped
T25 >> 1462757280.62342191 Construct density (409.47871s) started
T25 << 1462757282.27123189 Construct density (411.12652s) stopped
T25 >> 1462757282.28592801 Symmetrize density (0.01983s) started
T25 << 1462757282.28599501 Symmetrize density (0.01990s) stopped
T25 << 1462757282.28835797 Pseudo density (3565.89791s) stopped
T25 >> 1462757282.28841805 Atomic density matrices (660.64655s) started
T25 << 1462757285.02340794 Atomic density matrices (663.38154s) stopped
T25 >> 1462757285.02345991 Multipole moments (2.39982s) started
T25 << 1462757285.03345799 Multipole moments (2.40982s) stopped
T25 >> 1462757285.03351998 Normalize (2.09843s) started
T25 << 1462757285.04050803 Normalize (2.10541s) stopped
T25 >> 1462757285.04054809 Mix (128.82251s) started
T25 << 1462757285.46537709 Mix (129.24734s) stopped
T25 << 1462757285.46544790 Density (4363.07133s) stopped
T25 >> 1462757285.46568799 Hamiltonian (28947.83831s) started
T25 >> 1462757285.46570802 vbar (6.96702s) started
T25 << 1462757285.49474311 vbar (6.99605s) stopped
T25 >> 1462757285.49487305 XC 3D grid (23808.09230s) started
T25 >> 1462757285.98094797 van der Waals (23558.72326s) started
T25 >> 1462757286.11212206 semilocal (15405.67470s) started
T25 << 1462757293.04321289 semilocal (15412.60579s) stopped
T25 >> 1462757293.14720702 redistribute (3320.73078s) started
T25 << 1462757294.19820905 redistribute (3321.78178s) stopped
T25 >> 1462757294.19825101 libvdwxc nonlocal (4779.36197s) started
T25 << 1462757312.92521906 libvdwxc nonlocal (4798.08893s) stopped
T25 >> 1462757312.92528105 redistribute (3321.78181s) started
T25 << 1462757314.85347199 redistribute (3323.71000s) stopped
T25 << 1462757314.85512590 van der Waals (23587.59744s) stopped
T25 << 1462757315.33442497 XC 3D grid (23837.93185s) stopped
T25 >> 1462757315.33448792 Poisson (2023.48642s) started
T25 << 1462757321.19076395 Poisson (2029.34269s) stopped
T25 >> 1462757321.19084907 Hartree integrate/restrict (97.32165s) started
T25 << 1462757321.23278093 Hartree integrate/restrict (97.36358s) stopped
T25 >> 1462757321.23297095 Hartree integrate/restrict (97.36372s) started
T25 << 1462757321.56796098 Hartree integrate/restrict (97.69871s) stopped
T25 >> 1462757321.63000989 Atomic (2612.39401s) started
T25 >> 1462757321.64945698 XC Correction (2013.76413s) started
T25 << 1462757332.05484509 XC Correction (2024.16952s) stopped
T25 << 1462757337.29717898 Atomic (2628.06118s) stopped
T25 >> 1462757337.29750299 Communicate (385.18079s) started
T25 << 1462757337.29761195 Communicate (385.18090s) stopped
T25 << 1462757337.29763389 Hamiltonian (28999.67025s) stopped
T25 >> 1462757337.29773903 LCAO eigensolver (19998.03919s) started
T25 >> 1462757337.29775405 Potential matrix (672.21493s) started
T25 << 1462757339.70479393 Potential matrix (674.62197s) stopped
T25 >> 1462757339.70489311 DistributedAtomicCorrection (281.59933s) started
T25 << 1462757340.72496295 DistributedAtomicCorrection (282.61940s) stopped
T25 >> 1462757340.72506690 Distribute overlap matrix (1552.43469s) started
T25 >> 1462757340.72509289 blocked summation (1518.36099s) started
T25 << 1462757346.61009312 blocked summation (1524.24599s) stopped
T25 >> 1462757346.61976409 Scalapack redistribute (31.38603s) started
T25 << 1462757346.72440696 Scalapack redistribute (31.49068s) stopped
T25 << 1462757346.72452211 Distribute overlap matrix (1558.43415s) stopped
T25 >> 1462757346.73070002 Blacs Orbital Layouts (16106.99496s) started
T25 >> 1462757346.73838902 General diagonalize (16038.07569s) started
T25 << 1462757406.81245899 General diagonalize (16098.14976s) stopped
T25 >> 1462757406.81250596 Redistribute coefs (5.48781s) started
T25 << 1462757406.83235192 Redistribute coefs (5.50766s) stopped
T25 >> 1462757406.83240604 Send coefs to domains (60.91856s) started
T25 << 1462757406.92334008 Send coefs to domains (61.00949s) stopped
T25 << 1462757406.92371106 Blacs Orbital Layouts (16167.18798s) stopped
T25 >> 1462757406.92373800 Calculate projections (1383.16092s) started
T25 << 1462757411.74525809 Calculate projections (1387.98244s) stopped
T25 << 1462757411.74566007 LCAO eigensolver (20072.48711s) stopped
T25 >> 1462757413.21169496 Density (4363.07135s) started
T25 >> 1462757413.21171093 Pseudo density (3565.89796s) started
T25 >> 1462757413.21298289 Calculate density matrix (3144.62224s) started
T25 << 1462757425.92677999 Calculate density matrix (3157.33604s) stopped
T25 >> 1462757425.92683792 Construct density (411.12658s) started
T25 << 1462757427.58294392 Construct density (412.78268s) stopped
T25 >> 1462757427.59551096 Symmetrize density (0.01992s) started
T25 << 1462757427.59556890 Symmetrize density (0.01997s) stopped
T25 << 1462757427.59761906 Pseudo density (3580.28387s) stopped
T25 >> 1462757427.59767389 Atomic density matrices (663.38157s) started
T25 << 1462757430.30330610 Atomic density matrices (666.08720s) stopped
T25 >> 1462757430.30335808 Multipole moments (2.40984s) started
T25 << 1462757430.31351399 Multipole moments (2.42000s) stopped
T25 >> 1462757430.31357694 Normalize (2.10544s) started
T25 << 1462757430.32030511 Normalize (2.11217s) stopped
T25 >> 1462757430.32039189 Mix (129.24740s) started
T25 << 1462757430.81448007 Mix (129.74149s) stopped
T25 << 1462757430.81454396 Density (4380.67420s) stopped
T25 >> 1462757430.81480908 Hamiltonian (28999.67026s) started
T25 >> 1462757430.81482792 vbar (6.99613s) started
T25 << 1462757430.84324098 vbar (7.02454s) stopped
T25 >> 1462757430.84340096 XC 3D grid (23837.93191s) started
T25 >> 1462757431.35203505 van der Waals (23587.59750s) started
T25 >> 1462757431.48475409 semilocal (15412.60588s) started
T25 << 1462757437.90112090 semilocal (15419.02224s) stopped
T25 >> 1462757438.01347995 redistribute (3323.71006s) started
T25 << 1462757439.46701694 redistribute (3325.16360s) stopped
T25 >> 1462757439.46706510 libvdwxc nonlocal (4798.08898s) started
T25 << 1462757458.89069700 libvdwxc nonlocal (4817.51261s) stopped
T25 >> 1462757458.89076591 redistribute (3325.16363s) started
T25 << 1462757460.73515511 redistribute (3327.00802s) stopped
T25 << 1462757460.73698401 van der Waals (23616.98245s) stopped
T25 << 1462757461.22835207 XC 3D grid (23868.31686s) stopped
T25 >> 1462757461.22839594 Poisson (2029.34276s) started
T25 << 1462757468.93749809 Poisson (2037.05186s) stopped
T25 >> 1462757468.93761897 Hartree integrate/restrict (97.69876s) started
T25 << 1462757468.98028302 Hartree integrate/restrict (97.74143s) stopped
T25 >> 1462757468.98041296 Hartree integrate/restrict (97.74152s) started
T25 << 1462757469.33365703 Hartree integrate/restrict (98.09477s) stopped
T25 >> 1462757469.39247108 Atomic (2628.06120s) started
T25 >> 1462757469.41177702 XC Correction (2024.16954s) started
T25 << 1462757479.42624903 XC Correction (2034.18402s) stopped
T25 << 1462757485.06031990 Atomic (2643.72905s) stopped
T25 >> 1462757485.06067801 Communicate (385.18091s) started
T25 << 1462757485.06079102 Communicate (385.18103s) stopped
T25 << 1462757485.06081390 Hamiltonian (29053.91627s) stopped
T25 >> 1462757485.06092095 LCAO eigensolver (20072.48713s) started
T25 >> 1462757485.06093597 Potential matrix (674.62203s) started
T25 << 1462757487.46776390 Potential matrix (677.02886s) stopped
T25 >> 1462757487.46786189 DistributedAtomicCorrection (282.61945s) started
T25 << 1462757488.48016810 DistributedAtomicCorrection (283.63176s) stopped
T25 >> 1462757488.48026705 Distribute overlap matrix (1558.43416s) started
T25 >> 1462757488.48029208 blocked summation (1524.24605s) started
T25 << 1462757494.37506700 blocked summation (1530.14083s) stopped
T25 >> 1462757494.38403893 Scalapack redistribute (31.49076s) started
T25 << 1462757494.48477697 Scalapack redistribute (31.59150s) stopped
T25 << 1462757494.48489809 Distribute overlap matrix (1564.43879s) stopped
T25 >> 1462757494.48988199 Blacs Orbital Layouts (16167.18799s) started
T25 >> 1462757494.49819207 General diagonalize (16098.14980s) started
T25 << 1462757553.17009711 General diagonalize (16156.82170s) stopped
T25 >> 1462757553.17014694 Redistribute coefs (5.50770s) started
T25 << 1462757553.20093989 Redistribute coefs (5.53849s) stopped
T25 >> 1462757553.20098305 Send coefs to domains (61.00953s) started
T25 << 1462757553.90469408 Send coefs to domains (61.71324s) stopped
T25 << 1462757553.90506291 Blacs Orbital Layouts (16226.60317s) stopped
T25 >> 1462757553.90509295 Calculate projections (1387.98249s) started
T25 << 1462757558.75598693 Calculate projections (1392.83339s) stopped
T25 << 1462757558.75617409 LCAO eigensolver (20146.18238s) stopped
T25 >> 1462757560.15182996 Density (4380.67421s) started
T25 >> 1462757560.15184593 Pseudo density (3580.28391s) started
T25 >> 1462757560.15340209 Calculate density matrix (3157.33607s) started
T25 << 1462757572.89070797 Calculate density matrix (3170.07338s) stopped
T25 >> 1462757572.89076591 Construct density (412.78274s) started
T25 << 1462757574.53846908 Construct density (414.43044s) stopped
T25 >> 1462757574.55219007 Symmetrize density (0.01999s) started
T25 << 1462757574.55225396 Symmetrize density (0.02006s) stopped
T25 << 1462757574.55460191 Pseudo density (3594.68667s) stopped
T25 >> 1462757574.55466294 Atomic density matrices (666.08723s) started
T25 << 1462757577.28342700 Atomic density matrices (668.81599s) stopped
T25 >> 1462757577.28347802 Multipole moments (2.42001s) started
T25 << 1462757577.29664302 Multipole moments (2.43318s) stopped
T25 >> 1462757577.29670501 Normalize (2.11224s) started
T25 << 1462757577.30682397 Normalize (2.12236s) stopped
T25 >> 1462757577.30689692 Mix (129.74155s) started
T25 << 1462757577.80664396 Mix (130.24130s) stopped
T25 << 1462757577.80676603 Density (4398.32915s) stopped
T25 >> 1462757577.80707788 Hamiltonian (29053.91628s) started
T25 >> 1462757577.80710196 vbar (7.02463s) started
T25 << 1462757577.83413506 vbar (7.05166s) stopped
T25 >> 1462757577.83426094 XC 3D grid (23868.31689s) started
T25 >> 1462757578.33876896 van der Waals (23616.98253s) started
T25 >> 1462757578.47658205 semilocal (15419.02236s) started
T25 << 1462757585.46966195 semilocal (15426.01544s) stopped
T25 >> 1462757585.53111792 redistribute (3327.00807s) started
T25 << 1462757586.44109607 redistribute (3327.91805s) stopped
T25 >> 1462757586.44113898 libvdwxc nonlocal (4817.51266s) started
T25 << 1462757605.22482896 libvdwxc nonlocal (4836.29635s) stopped
T25 >> 1462757605.22489500 redistribute (3327.91808s) started
T25 << 1462757607.15985894 redistribute (3329.85305s) stopped
T25 << 1462757607.16177511 van der Waals (23645.80554s) stopped
T25 << 1462757607.66138792 XC 3D grid (23898.14402s) stopped
T25 >> 1462757607.66142797 Poisson (2037.05194s) started
T25 << 1462757614.90686607 Poisson (2044.29737s) stopped
T25 >> 1462757614.90695310 Hartree integrate/restrict (98.09482s) started
T25 << 1462757614.94965100 Hartree integrate/restrict (98.13752s) stopped
T25 >> 1462757614.94970798 Hartree integrate/restrict (98.13756s) started
T25 << 1462757615.28287005 Hartree integrate/restrict (98.47072s) stopped
T25 >> 1462757615.34080410 Atomic (2643.72908s) started
T25 >> 1462757615.35989094 XC Correction (2034.18405s) started
T25 << 1462757625.24924493 XC Correction (2044.07340s) stopped
T25 << 1462757630.35239792 Atomic (2658.74067s) stopped
T25 >> 1462757630.35273600 Communicate (385.18104s) started
T25 << 1462757630.35284710 Communicate (385.18115s) stopped
T25 << 1462757630.35289001 Hamiltonian (29106.46209s) stopped
T25 >> 1462757630.35299110 LCAO eigensolver (20146.18240s) started
T25 >> 1462757630.35300589 Potential matrix (677.02891s) started
T25 << 1462757632.76208806 Potential matrix (679.43800s) stopped
T25 >> 1462757632.76217198 DistributedAtomicCorrection (283.63180s) started
T25 << 1462757633.80591512 DistributedAtomicCorrection (284.67554s) stopped
T25 >> 1462757633.80601692 Distribute overlap matrix (1564.43881s) started
T25 >> 1462757633.80604506 blocked summation (1530.14086s) started
T25 << 1462757639.58581996 blocked summation (1535.92064s) stopped
T25 >> 1462757639.59476995 Scalapack redistribute (31.59157s) started
T25 << 1462757639.71790504 Scalapack redistribute (31.71470s) stopped
T25 << 1462757639.71798301 Distribute overlap matrix (1570.35077s) stopped
T25 >> 1462757639.72275400 Blacs Orbital Layouts (16226.60319s) started
T25 >> 1462757639.73045802 General diagonalize (16156.82175s) started
T25 << 1462757696.85928202 General diagonalize (16213.95057s) stopped
T25 >> 1462757696.85933089 Redistribute coefs (5.53852s) started
T25 << 1462757696.89098001 Redistribute coefs (5.57017s) stopped
T25 >> 1462757696.89102697 Send coefs to domains (61.71328s) started
T25 << 1462757697.17781496 Send coefs to domains (62.00007s) stopped
T25 << 1462757697.17818999 Blacs Orbital Layouts (16284.05863s) stopped
T25 >> 1462757697.17832804 Calculate projections (1392.83345s) started
T25 << 1462757701.99704003 Calculate projections (1397.65216s) stopped
T25 << 1462757701.99723005 LCAO eigensolver (20217.82664s) stopped
T25 >> 1462757703.46069503 Density (4398.32916s) started
T25 >> 1462757703.46071005 Pseudo density (3594.68672s) started
T25 >> 1462757703.46196604 Calculate density matrix (3170.07342s) started
T25 << 1462757716.12640095 Calculate density matrix (3182.73786s) stopped
T25 >> 1462757716.12645888 Construct density (414.43049s) started
T25 << 1462757717.78073812 Construct density (416.08477s) stopped
T25 >> 1462757717.79345989 Symmetrize density (0.02008s) started
T25 << 1462757717.79351902 Symmetrize density (0.02013s) stopped
T25 << 1462757717.79556799 Pseudo density (3609.02158s) stopped
T25 >> 1462757717.79562497 Atomic density matrices (668.81602s) started
T25 << 1462757720.46962690 Atomic density matrices (671.49002s) stopped
T25 >> 1462757720.46967793 Multipole moments (2.43320s) started
T25 << 1462757720.48012805 Multipole moments (2.44365s) stopped
T25 >> 1462757720.48018789 Normalize (2.12241s) started
T25 << 1462757720.48689890 Normalize (2.12912s) stopped
T25 >> 1462757720.48699403 Mix (130.24142s) started
T25 << 1462757720.97964501 Mix (130.73407s) stopped
T25 << 1462757720.97973990 Density (4415.84821s) stopped
T25 >> 1462757720.98009396 Hamiltonian (29106.46211s) started
T25 >> 1462757720.98013902 vbar (7.05173s) started
T25 << 1462757721.00480294 vbar (7.07640s) stopped
T25 >> 1462757721.00489712 XC 3D grid (23898.14405s) started
T25 >> 1462757721.48933411 van der Waals (23645.80561s) started
T25 >> 1462757721.61974001 semilocal (15426.01551s) started
T25 << 1462757729.61052799 semilocal (15434.00629s) stopped
T25 >> 1462757729.69285297 redistribute (3329.85310s) started
T25 << 1462757730.72947097 redistribute (3330.88971s) stopped
T25 >> 1462757730.72951508 libvdwxc nonlocal (4836.29640s) started
T25 << 1462757749.58133698 libvdwxc nonlocal (4855.14823s) stopped
T25 >> 1462757749.58140707 redistribute (3330.88975s) started
T25 << 1462757751.34071898 redistribute (3332.64906s) stopped
T25 << 1462757751.34285402 van der Waals (23675.65913s) stopped
T25 << 1462757751.83400893 XC 3D grid (23928.97316s) stopped
T25 >> 1462757751.83405304 Poisson (2044.29743s) started
T25 << 1462757757.65617800 Poisson (2050.11955s) stopped
T25 >> 1462757757.65625095 Hartree integrate/restrict (98.47078s) started
T25 << 1462757757.70556593 Hartree integrate/restrict (98.52010s) stopped
T25 >> 1462757757.70561504 Hartree integrate/restrict (98.52013s) started
T25 << 1462757758.03758788 Hartree integrate/restrict (98.85210s) stopped
T25 >> 1462757758.09711504 Atomic (2658.74070s) started
T25 >> 1462757758.11638594 XC Correction (2044.07343s) started
T25 << 1462757768.02902007 XC Correction (2053.98606s) stopped
T25 << 1462757772.30920005 Atomic (2672.95278s) stopped
T25 >> 1462757772.30953097 Communicate (385.18118s) started
T25 << 1462757772.30963397 Communicate (385.18129s) stopped
T25 << 1462757772.30965590 Hamiltonian (29157.79167s) stopped
T25 >> 1462757772.30975795 LCAO eigensolver (20217.82666s) started
T25 >> 1462757772.30977297 Potential matrix (679.43804s) started
T25 << 1462757774.72345209 Potential matrix (681.85172s) stopped
T25 >> 1462757774.72353601 DistributedAtomicCorrection (284.67558s) started
T25 << 1462757775.77602696 DistributedAtomicCorrection (285.72807s) stopped
T25 >> 1462757775.77613711 Distribute overlap matrix (1570.35079s) started
T25 >> 1462757775.77616096 blocked summation (1535.92067s) started
T25 << 1462757781.57792902 blocked summation (1541.72244s) stopped
T25 >> 1462757781.58872700 Scalapack redistribute (31.71476s) started
T25 << 1462757781.68381596 Scalapack redistribute (31.80985s) stopped
T25 << 1462757781.68391204 Distribute overlap matrix (1576.25856s) stopped
T25 >> 1462757781.68821001 Blacs Orbital Layouts (16284.05865s) started
T25 >> 1462757781.69540310 General diagonalize (16213.95061s) started
T25 << 1462757839.88362002 General diagonalize (16272.13883s) stopped
T25 >> 1462757839.88366604 Redistribute coefs (5.57021s) started
T25 << 1462757839.90005302 Redistribute coefs (5.58660s) stopped
T25 >> 1462757839.90009403 Send coefs to domains (62.00011s) started
T25 << 1462757840.12821198 Send coefs to domains (62.22823s) stopped
T25 << 1462757840.12862611 Blacs Orbital Layouts (16342.49907s) stopped
T25 >> 1462757840.12865710 Calculate projections (1397.65222s) started
T25 << 1462757844.98664498 Calculate projections (1402.51020s) stopped
T25 << 1462757844.98704290 LCAO eigensolver (20290.50394s) stopped
T25 >> 1462757846.37357998 Density (4415.84823s) started
T25 >> 1462757846.37359500 Pseudo density (3609.02162s) started
T25 >> 1462757846.37525892 Calculate density matrix (3182.73789s) started
T25 << 1462757859.08072591 Calculate density matrix (3195.44336s) stopped
T25 >> 1462757859.08078194 Construct density (416.08483s) started
T25 << 1462757860.72641301 Construct density (417.73046s) stopped
T25 >> 1462757860.74363208 Symmetrize density (0.02015s) started
T25 << 1462757860.74369192 Symmetrize density (0.02021s) stopped
T25 << 1462757860.74603891 Pseudo density (3623.39407s) stopped
T25 >> 1462757860.74609709 Atomic density matrices (671.49004s) started
T25 << 1462757863.46550012 Atomic density matrices (674.20945s) stopped
T25 >> 1462757863.46554995 Multipole moments (2.44366s) started
T25 << 1462757863.47494888 Multipole moments (2.45306s) stopped
T25 >> 1462757863.47501302 Normalize (2.12920s) started
T25 << 1462757863.48407197 Normalize (2.13826s) stopped
T25 >> 1462757863.48412991 Mix (130.73416s) started
T25 << 1462757864.03696609 Mix (131.28699s) stopped
T25 << 1462757864.03700209 Density (4433.51165s) stopped
T25 >> 1462757864.03728008 Hamiltonian (29157.79169s) started
T25 >> 1462757864.03729796 vbar (7.07645s) started
T25 << 1462757864.05757594 vbar (7.09673s) stopped
T25 >> 1462757864.05767608 XC 3D grid (23928.97320s) started
T25 >> 1462757864.53426099 van der Waals (23675.65921s) started
T25 >> 1462757864.66822290 semilocal (15434.00639s) started
T25 << 1462758169.80098701 semilocal (15739.13915s) stopped
T25 >> 1462758169.85750198 redistribute (3332.64913s) started
T25 << 1462758339.97705698 redistribute (3502.76869s) stopped
T25 >> 1462758339.97709990 libvdwxc nonlocal (4855.14828s) started
T25 << 1462758359.18285298 libvdwxc nonlocal (4874.35403s) stopped
T25 >> 1462758359.18291998 redistribute (3502.76872s) started
T25 << 1462758361.17991996 redistribute (3504.76572s) stopped
T25 << 1462758361.18203998 van der Waals (24172.30699s) stopped
T25 << 1462758361.66919994 XC 3D grid (24426.58472s) stopped
T25 >> 1462758361.66924810 Poisson (2050.11961s) started
T25 << 1462758366.24435592 Poisson (2054.69471s) stopped
T25 >> 1462758366.24451804 Hartree integrate/restrict (98.85218s) started
T25 << 1462758366.28554010 Hartree integrate/restrict (98.89320s) stopped
T25 >> 1462758366.28561711 Hartree integrate/restrict (98.89325s) started
T25 << 1462758366.73468208 Hartree integrate/restrict (99.34231s) stopped
T25 >> 1462758366.79512811 Atomic (2672.95281s) started
T25 >> 1462758366.81515503 XC Correction (2053.98609s) started
T25 << 1462758376.93701100 XC Correction (2064.10795s) stopped
T25 << 1462758381.09728003 Atomic (2687.25496s) stopped
T25 >> 1462758381.09762311 Communicate (385.18130s) started
T25 << 1462758381.09774494 Communicate (385.18142s) stopped
T25 << 1462758381.09776902 Hamiltonian (29674.85218s) stopped
T25 >> 1462758381.09787107 LCAO eigensolver (20290.50396s) started
T25 >> 1462758381.09788704 Potential matrix (681.85177s) started
T25 << 1462758383.50525904 Potential matrix (684.25914s) stopped
T25 >> 1462758383.50536108 DistributedAtomicCorrection (285.72810s) started
T25 << 1462758384.54465103 DistributedAtomicCorrection (286.76739s) stopped
T25 >> 1462758384.54475403 Distribute overlap matrix (1576.25857s) started
T25 >> 1462758384.54478002 blocked summation (1541.72247s) started
T25 << 1462758390.31800294 blocked summation (1547.49569s) stopped
T25 >> 1462758390.32770801 Scalapack redistribute (31.80991s) started
T25 << 1462758390.43599296 Scalapack redistribute (31.91819s) stopped
T25 << 1462758390.43608999 Distribute overlap matrix (1582.14991s) stopped
T25 >> 1462758390.44199300 Blacs Orbital Layouts (16342.49909s) started
T25 >> 1462758390.45149207 General diagonalize (16272.13886s) started
T25 << 1462758451.22534299 General diagonalize (16332.91272s) stopped
T25 >> 1462758451.22539091 Redistribute coefs (5.58663s) started
T25 << 1462758451.24280906 Redistribute coefs (5.60405s) stopped
T25 >> 1462758451.24285698 Send coefs to domains (62.22827s) started
T25 << 1462758451.33583999 Send coefs to domains (62.32126s) stopped
T25 << 1462758451.33622909 Blacs Orbital Layouts (16403.39332s) stopped
T25 >> 1462758451.33625889 Calculate projections (1402.51026s) started
T25 << 1462758456.14452100 Calculate projections (1407.31852s) stopped
T25 << 1462758456.14492702 LCAO eigensolver (20365.55102s) stopped
T25 << 1462758457.63098598 SCF-cycle (54851.83828s) stopped
T25 >> 1462758460.36649895 Force calculation (2699.22129s) started
T25 >> 1462758460.36657596 LCAO forces (2421.07032s) started
T25 >> 1462758460.36694002 Initial (0.00070s) started
T25 << 1462758460.36695099 Initial (0.00071s) stopped
T25 >> 1462758460.37949300 Get density matrix (1130.70277s) started
T25 << 1462758469.79891610 Get density matrix (1140.12219s) stopped
T25 >> 1462758469.79895997 Potential (384.84170s) started
T25 << 1462758482.26616502 Potential (397.30890s) stopped
T25 >> 1462758482.26621509 Get density matrix (1140.12222s) started
T25 << 1462758509.46440911 Get density matrix (1167.32042s) stopped
T25 >> 1462758509.46446896 Prepare TCI loop (76.20657s) started
T25 >> 1462758509.46499705 Get neighbors (68.80970s) started
T25 << 1462758511.69795990 Get neighbors (71.04266s) stopped
T25 >> 1462758511.69900799 broadcast dH (7.35695s) started
T25 << 1462758511.96114993 broadcast dH (7.61909s) stopped
T25 << 1462758511.96119404 Prepare TCI loop (78.70329s) stopped
T25 >> 1462758511.96121311 Not so complicated loop (324.48832s) started
T25 << 1462758522.44740200 Not so complicated loop (334.97451s) stopped
T25 >> 1462758522.56262302 Complicated loop (500.82062s) started
T25 << 1462758538.88750601 Complicated loop (517.14550s) stopped
T25 >> 1462758538.89116597 Wait for sum (0.00336s) started
T25 << 1462758538.89125800 Wait for sum (0.00346s) stopped
T25 << 1462758538.89127302 LCAO forces (2499.59502s) stopped
T25 << 1462758548.27274895 Force calculation (2787.12754s) stopped
T25 >> 1462758548.29471588 Initialization (4074.49091s) started
T25 << 1462758548.29493403 Initialization (4074.49112s) stopped
T25 >> 1462758548.29521298 Initialization (4074.49114s) started
T25 << 1462758548.29537106 Initialization (4074.49130s) stopped
T25 >> 1462758548.29552388 Initialization (4074.49131s) started
T25 << 1462758548.29567790 Initialization (4074.49147s) stopped
T25 >> 1462758571.61182308 Initialization (4074.49149s) started
T25 >> 1462758571.84525299 Basic WFS set positions (4.29182s) started
T25 >> 1462758571.84527707 Redistribute (0.28485s) started
T25 << 1462758571.84540892 Redistribute (0.28498s) stopped
T25 << 1462758572.00125289 Basic WFS set positions (4.44782s) stopped
T25 >> 1462758572.00129008 Basis functions set positions (65.18585s) started
T25 << 1462758574.15086699 Basis functions set positions (67.33543s) stopped
T25 >> 1462758574.15738702 TCI: Calculate S, T, P (800.39596s) started
T25 << 1462758600.72403789 TCI: Calculate S, T, P (826.96261s) stopped
T25 >> 1462758600.72413707 blocked summation (807.47749s) started
T25 << 1462758632.51901388 blocked summation (839.27237s) stopped
T25 >> 1462758632.53747106 Scalapack redistribute (8.79095s) started
T25 << 1462758632.65389609 Scalapack redistribute (8.90738s) stopped
T25 >> 1462758632.65490508 blocked summation (839.27240s) started
T25 << 1462758633.92649508 blocked summation (840.54399s) stopped
T25 >> 1462758633.93586612 Scalapack redistribute (8.90741s) started
T25 << 1462758634.07631302 Scalapack redistribute (9.04786s) stopped
T25 >> 1462758634.08036995 Redistribute (0.80252s) started
T25 << 1462758634.08157706 Redistribute (0.80372s) stopped
T25 >> 1462758636.15009594 Redistribute (0.80374s) started
T25 << 1462758636.15140510 Redistribute (0.80505s) stopped
T25 >> 1462758636.17336607 LCAO WFS Initialize (2308.78788s) started
T25 >> 1462758636.17342591 Density initialize from wavefunctions (458.98185s) started
T25 >> 1462758636.17879605 Calculate density matrix (312.80135s) started
T25 << 1462758646.23809791 Calculate density matrix (322.86065s) stopped
T25 >> 1462758646.23815799 Construct density (50.82073s) started
T25 << 1462758647.88814402 Construct density (52.47072s) stopped
T25 >> 1462758647.90092111 Symmetrize density (0.00243s) started
T25 << 1462758647.90097690 Symmetrize density (0.00248s) stopped
T25 << 1462758650.99772501 Density initialize from wavefunctions (473.80615s) stopped
T25 >> 1462758650.99883103 Hamiltonian (1848.76681s) started
T25 >> 1462758650.99886990 vbar (0.80273s) started
T25 << 1462758651.02494311 vbar (0.82880s) stopped
T25 >> 1462758651.02506995 XC 3D grid (958.38116s) started
T25 >> 1462758651.53983593 van der Waals (926.63062s) started
T25 >> 1462758651.67408490 semilocal (211.50631s) started
T25 << 1462758658.42403007 semilocal (218.25625s) stopped
T25 >> 1462758658.50320411 redistribute (97.27928s) started
T25 << 1462758659.85127902 redistribute (98.62735s) stopped
T25 >> 1462758659.85137796 libvdwxc nonlocal (611.35924s) started
T25 << 1462758680.12435198 libvdwxc nonlocal (631.63222s) stopped
T25 >> 1462758680.12440491 redistribute (98.62738s) started
T25 << 1462758681.83916211 redistribute (100.34214s) stopped
T25 << 1462758681.84180593 van der Waals (956.93259s) stopped
T25 << 1462758682.32700396 XC 3D grid (989.68309s) stopped
T25 >> 1462758682.32705307 Poisson (456.52965s) started
T25 << 1462758692.78888893 Poisson (466.99148s) stopped
T25 >> 1462758692.78894997 Hartree integrate/restrict (12.68958s) started
T25 << 1462758692.85675597 Hartree integrate/restrict (12.75739s) stopped
T25 >> 1462758692.85680008 Hartree integrate/restrict (12.75742s) started
T25 << 1462758693.17369509 Hartree integrate/restrict (13.07431s) stopped
T25 >> 1462758693.23322010 Atomic (395.26521s) started
T25 >> 1462758693.25309205 XC Correction (293.72130s) started
T25 << 1462758703.88854003 XC Correction (304.35675s) stopped
T25 << 1462758709.27810097 Atomic (411.31009s) stopped
T25 >> 1462758709.27849603 Communicate (23.12494s) started
T25 << 1462758709.27896690 Communicate (23.12542s) stopped
T25 << 1462758709.27899003 Hamiltonian (1907.04697s) stopped
T25 << 1462758709.27905297 LCAO WFS Initialize (2381.89356s) stopped
T25 << 1462758709.29178596 Initialization (4212.17145s) stopped
T25 >> 1462758709.32142496 SCF-cycle (54851.83830s) started
T25 >> 1462758709.32151699 LCAO eigensolver (20365.55104s) started
T25 >> 1462758709.32153106 Potential matrix (684.25920s) started
T25 << 1462758711.74162197 Potential matrix (686.67929s) stopped
T25 >> 1462758711.74170995 DistributedAtomicCorrection (286.76743s) started
T25 << 1462758712.75875211 DistributedAtomicCorrection (287.78448s) stopped
T25 >> 1462758712.75879693 Distribute overlap matrix (1582.14993s) started
T25 >> 1462758712.75883389 blocked summation (1547.49572s) started
T25 << 1462758718.62242603 blocked summation (1553.35932s) stopped
T25 >> 1462758718.63164401 Scalapack redistribute (31.91824s) started
T25 << 1462758718.76850510 Scalapack redistribute (32.05510s) stopped
T25 << 1462758718.76855612 Distribute overlap matrix (1588.15968s) stopped
T25 >> 1462758718.77411008 Blacs Orbital Layouts (16403.39334s) started
T25 >> 1462758718.78196001 General diagonalize (16332.91276s) started
T25 << 1462758777.60984397 General diagonalize (16391.74064s) stopped
T25 >> 1462758777.60989189 Redistribute coefs (5.60409s) started
T25 << 1462758777.62625408 Redistribute coefs (5.62045s) stopped
T25 >> 1462758777.62629700 Send coefs to domains (62.32129s) started
T25 << 1462758777.73668909 Send coefs to domains (62.43168s) stopped
T25 << 1462758777.73701501 Blacs Orbital Layouts (16462.35625s) stopped
T25 >> 1462758777.73704600 Calculate projections (1407.31858s) started
T25 << 1462758782.54470706 Calculate projections (1412.12624s) stopped
T25 << 1462758782.54506493 LCAO eigensolver (20438.77458s) stopped
T25 >> 1462758785.20471692 Density (4433.51166s) started
T25 >> 1462758785.20473289 Pseudo density (3623.39411s) started
T25 >> 1462758785.20601010 Calculate density matrix (3195.44340s) started
T25 << 1462758797.86367512 Calculate density matrix (3208.10106s) stopped
T25 >> 1462758797.86373091 Construct density (417.73051s) started
T25 << 1462758799.51808906 Construct density (419.38487s) stopped
T25 >> 1462758799.56150889 Symmetrize density (0.02023s) started
T25 << 1462758799.56156993 Symmetrize density (0.02029s) stopped
T25 << 1462758799.56367803 Pseudo density (3637.75306s) stopped
T25 >> 1462758799.56373310 Atomic density matrices (674.20947s) started
T25 << 1462758802.25350809 Atomic density matrices (676.89925s) stopped
T25 >> 1462758802.25356197 Multipole moments (2.45308s) started
T25 << 1462758802.26493001 Multipole moments (2.46445s) stopped
T25 >> 1462758802.26498795 Normalize (2.13830s) started
T25 << 1462758802.27121496 Normalize (2.14453s) stopped
T25 >> 1462758802.27134299 Mix (131.28703s) started
T25 << 1462758802.72901797 Mix (131.74471s) stopped
T25 << 1462758802.72911906 Density (4451.03607s) stopped
T25 >> 1462758802.72928596 Hamiltonian (29674.85219s) started
T25 >> 1462758802.72930598 vbar (7.09678s) started
T25 << 1462758802.75756598 vbar (7.12504s) stopped
T25 >> 1462758802.75768209 XC 3D grid (24426.58476s) started
T25 >> 1462758803.25797510 van der Waals (24172.30709s) started
T25 >> 1462758803.39277411 semilocal (15739.13921s) started
T25 << 1462758809.76390100 semilocal (15745.51034s) stopped
T25 >> 1462758809.88476300 redistribute (3504.76581s) started
T25 << 1462758811.48791289 redistribute (3506.36896s) stopped
T25 >> 1462758811.48795700 libvdwxc nonlocal (4874.35408s) started
T25 << 1462758830.63397694 libvdwxc nonlocal (4893.50010s) stopped
T25 >> 1462758830.63406491 redistribute (3506.36899s) started
T25 << 1462758832.29574895 redistribute (3508.03067s) stopped
T25 << 1462758832.29773998 van der Waals (24201.34685s) stopped
T25 << 1462758832.78657198 XC 3D grid (24456.61365s) stopped
T25 >> 1462758832.78661609 Poisson (2054.69486s) started
T25 << 1462758837.18152809 Poisson (2059.08977s) stopped
T25 >> 1462758837.18159008 Hartree integrate/restrict (99.34236s) started
T25 << 1462758837.23954201 Hartree integrate/restrict (99.40031s) stopped
T25 >> 1462758837.23962307 Hartree integrate/restrict (99.40036s) started
T25 << 1462758837.56757808 Hartree integrate/restrict (99.72832s) stopped
T25 >> 1462758837.62597799 Atomic (2687.25498s) started
T25 >> 1462758837.64530897 XC Correction (2064.10798s) started
T25 << 1462758848.06115508 XC Correction (2074.52383s) stopped
T25 << 1462758853.79910803 Atomic (2703.42811s) stopped
T25 >> 1462758853.79945207 Communicate (385.18144s) started
T25 << 1462758853.79956102 Communicate (385.18155s) stopped
T25 << 1462758853.79958296 Hamiltonian (29725.92249s) stopped
T25 >> 1462758853.79967904 LCAO eigensolver (20438.77460s) started
T25 >> 1462758853.79969406 Potential matrix (686.67934s) started
T25 << 1462758856.22183490 Potential matrix (689.10148s) stopped
T25 >> 1462758856.22192407 DistributedAtomicCorrection (287.78451s) started
T25 << 1462758857.25766206 DistributedAtomicCorrection (288.82025s) stopped
T25 >> 1462758857.25775409 Distribute overlap matrix (1588.15970s) started
T25 >> 1462758857.25777793 blocked summation (1553.35935s) started
T25 << 1462758863.26261306 blocked summation (1559.36419s) stopped
T25 >> 1462758863.27222490 Scalapack redistribute (32.05514s) started
T25 << 1462758863.37733603 Scalapack redistribute (32.16025s) stopped
T25 << 1462758863.37742090 Distribute overlap matrix (1594.27936s) stopped
T25 >> 1462758863.38365197 Blacs Orbital Layouts (16462.35627s) started
T25 >> 1462758863.39189100 General diagonalize (16391.74068s) started
T25 << 1462758918.88372302 General diagonalize (16447.23251s) stopped
T25 >> 1462758918.88377595 Redistribute coefs (5.62048s) started
T25 << 1462758918.91488910 Redistribute coefs (5.65160s) stopped
T25 >> 1462758918.91492891 Send coefs to domains (62.43172s) started
T25 << 1462758919.04425907 Send coefs to domains (62.56105s) stopped
T25 << 1462758919.04496193 Blacs Orbital Layouts (16518.01758s) stopped
T25 >> 1462758919.04499102 Calculate projections (1412.12629s) started
T25 << 1462758923.89927697 Calculate projections (1416.98058s) stopped
T25 << 1462758923.89969802 LCAO eigensolver (20508.87462s) stopped
T25 >> 1462758925.27536106 Density (4451.03609s) started
T25 >> 1462758925.27537704 Pseudo density (3637.75310s) started
T25 >> 1462758925.27690792 Calculate density matrix (3208.10110s) started
T25 << 1462758938.03430009 Calculate density matrix (3220.85849s) stopped
T25 >> 1462758938.03435707 Construct density (419.38492s) started
T25 << 1462758939.67747998 Construct density (421.02804s) stopped
T25 >> 1462758939.69311690 Symmetrize density (0.02031s) started
T25 << 1462758939.69317889 Symmetrize density (0.02037s) stopped
T25 << 1462758939.69557905 Pseudo density (3652.17330s) stopped
T25 >> 1462758939.69563890 Atomic density matrices (676.89927s) started
T25 << 1462758942.38733411 Atomic density matrices (679.59097s) stopped
T25 >> 1462758942.38738799 Multipole moments (2.46447s) started
T25 << 1462758942.39846802 Multipole moments (2.47555s) stopped
T25 >> 1462758942.39852691 Normalize (2.14463s) started
T25 << 1462758942.40644312 Normalize (2.15255s) stopped
T25 >> 1462758942.40648389 Mix (131.74480s) started
T25 << 1462758942.86209512 Mix (132.20041s) stopped
T25 << 1462758942.86217189 Density (4468.62290s) stopped
T25 >> 1462758942.86229897 Hamiltonian (29725.92250s) started
T25 >> 1462758942.86231589 vbar (7.12511s) started
T25 << 1462758942.88908792 vbar (7.15188s) stopped
T25 >> 1462758942.88925695 XC 3D grid (24456.61368s) started
T25 >> 1462758943.40889502 van der Waals (24201.34694s) started
T25 >> 1462758943.54364204 semilocal (15745.51045s) started
T25 << 1462758950.63791299 semilocal (15752.60472s) stopped
T25 >> 1462758950.70477104 redistribute (3508.03072s) started
T25 << 1462758951.63155389 redistribute (3508.95750s) stopped
T25 >> 1462758951.63159704 libvdwxc nonlocal (4893.50017s) started
T25 << 1462758970.38571811 libvdwxc nonlocal (4912.25430s) stopped
T25 >> 1462758970.38578296 redistribute (3508.95753s) started
T25 << 1462758972.23398995 redistribute (3510.80574s) stopped
T25 << 1462758972.23586106 van der Waals (24230.17390s) stopped
T25 << 1462758972.71331811 XC 3D grid (24486.43774s) stopped
T25 >> 1462758972.71336007 Poisson (2059.08981s) started
T25 << 1462758978.42701888 Poisson (2064.80347s) stopped
T25 >> 1462758978.42711091 Hartree integrate/restrict (99.72837s) started
T25 << 1462758978.46666789 Hartree integrate/restrict (99.76792s) stopped
T25 >> 1462758978.46684003 Hartree integrate/restrict (99.76804s) started
T25 << 1462758978.84896302 Hartree integrate/restrict (100.15017s) stopped
T25 >> 1462758978.90868998 Atomic (2703.42814s) started
T25 >> 1462758978.92790604 XC Correction (2074.52385s) started
T25 << 1462758989.00975299 XC Correction (2084.60570s) stopped
T25 << 1462758994.77782297 Atomic (2719.29727s) stopped
T25 >> 1462758994.77816105 Communicate (385.18156s) started
T25 << 1462758994.77826405 Communicate (385.18166s) stopped
T25 << 1462758994.77828598 Hamiltonian (29777.83848s) stopped
T25 >> 1462758994.77838898 LCAO eigensolver (20508.87464s) started
T25 >> 1462758994.77840400 Potential matrix (689.10153s) started
T25 << 1462758997.20715189 Potential matrix (691.53028s) stopped
T25 >> 1462758997.20724392 DistributedAtomicCorrection (288.82029s) started
T25 << 1462758998.30722809 DistributedAtomicCorrection (289.92027s) stopped
T25 >> 1462758998.30732703 Distribute overlap matrix (1594.27938s) started
T25 >> 1462758998.30735111 blocked summation (1559.36422s) started
T25 << 1462759004.15112996 blocked summation (1565.20800s) stopped
T25 >> 1462759004.16088295 Scalapack redistribute (32.16031s) started
T25 << 1462759004.27723503 Scalapack redistribute (32.27666s) stopped
T25 << 1462759004.27733994 Distribute overlap matrix (1600.24939s) stopped
T25 >> 1462759004.28199911 Blacs Orbital Layouts (16518.01760s) started
T25 >> 1462759004.29022408 General diagonalize (16447.23256s) started
T25 << 1462759063.21251607 General diagonalize (16506.15485s) stopped
T25 >> 1462759063.21256399 Redistribute coefs (5.65162s) started
T25 << 1462759063.22894406 Redistribute coefs (5.66800s) stopped
T25 >> 1462759063.22898698 Send coefs to domains (62.56108s) started
T25 << 1462759063.31711507 Send coefs to domains (62.64921s) stopped
T25 << 1462759063.31765890 Blacs Orbital Layouts (16577.05326s) stopped
T25 >> 1462759063.31768608 Calculate projections (1416.98063s) started
T25 << 1462759068.12691689 Calculate projections (1421.78986s) stopped
T25 << 1462759068.12728310 LCAO eigensolver (20582.22353s) stopped
T25 >> 1462759069.56487012 Density (4468.62291s) started
T25 >> 1462759069.56488609 Pseudo density (3652.17335s) started
T25 >> 1462759069.56619692 Calculate density matrix (3220.85853s) started
T25 << 1462759082.31593895 Calculate density matrix (3233.60827s) stopped
T25 >> 1462759082.31599498 Construct density (421.02810s) started
T25 << 1462759083.96810198 Construct density (422.68021s) stopped
T25 >> 1462759083.98290610 Symmetrize density (0.02039s) started
T25 << 1462759083.98296189 Symmetrize density (0.02044s) stopped
T25 << 1462759083.98508191 Pseudo density (3666.59355s) stopped
T25 >> 1462759083.98513794 Atomic density matrices (679.59099s) started
T25 << 1462759086.66906404 Atomic density matrices (682.27492s) stopped
T25 >> 1462759086.66911888 Multipole moments (2.47557s) started
T25 << 1462759086.67820907 Multipole moments (2.48466s) stopped
T25 >> 1462759086.67826796 Normalize (2.15258s) started
T25 << 1462759086.68488193 Normalize (2.15919s) stopped
T25 >> 1462759086.68497109 Mix (132.20049s) started
T25 << 1462759087.18216205 Mix (132.69768s) stopped
T25 << 1462759087.18224001 Density (4486.24028s) stopped
T25 >> 1462759087.18239188 Hamiltonian (29777.83850s) started
T25 >> 1462759087.18241000 vbar (7.15198s) started
T25 << 1462759087.20947289 vbar (7.17904s) stopped
T25 >> 1462759087.20962691 XC 3D grid (24486.43778s) started
T25 >> 1462759087.73027992 van der Waals (24230.17395s) started
T25 >> 1462759087.86179090 semilocal (15752.60483s) started
T25 << 1462759094.27346492 semilocal (15759.01651s) stopped
T25 >> 1462759094.37718606 redistribute (3510.80579s) started
T25 << 1462759095.81628895 redistribute (3512.24490s) stopped
T25 >> 1462759095.81633306 libvdwxc nonlocal (4912.25434s) started
T25 << 1462759115.04606199 libvdwxc nonlocal (4931.48407s) stopped
T25 >> 1462759115.04611611 redistribute (3512.24493s) started
T25 << 1462759116.68006110 redistribute (3513.87887s) stopped
T25 << 1462759116.68168712 van der Waals (24259.12536s) stopped
T25 << 1462759117.16183901 XC 3D grid (24516.38999s) stopped
T25 >> 1462759117.16188192 Poisson (2064.80354s) started
T25 << 1462759122.92995405 Poisson (2070.57161s) stopped
T25 >> 1462759122.93002200 Hartree integrate/restrict (100.15023s) started
T25 << 1462759122.98453593 Hartree integrate/restrict (100.20474s) stopped
T25 >> 1462759122.98462796 Hartree integrate/restrict (100.20480s) started
T25 << 1462759123.33840108 Hartree integrate/restrict (100.55858s) stopped
T25 >> 1462759123.39443898 Atomic (2719.29729s) started
T25 >> 1462759123.41423297 XC Correction (2084.60573s) started
T25 << 1462759133.39166808 XC Correction (2094.58316s) stopped
T25 << 1462759138.36758399 Atomic (2734.27044s) stopped
T25 >> 1462759138.36791492 Communicate (385.18168s) started
T25 << 1462759138.36803889 Communicate (385.18180s) stopped
T25 << 1462759138.36806607 Hamiltonian (29829.02417s) stopped
T25 >> 1462759138.36816311 LCAO eigensolver (20582.22355s) started
T25 >> 1462759138.36817789 Potential matrix (691.53034s) started
T25 << 1462759140.79636693 Potential matrix (693.95853s) stopped
T25 >> 1462759140.79645705 DistributedAtomicCorrection (289.92031s) started
T25 << 1462759141.87551188 DistributedAtomicCorrection (290.99936s) stopped
T25 >> 1462759141.87560391 Distribute overlap matrix (1600.24940s) started
T25 >> 1462759141.87562895 blocked summation (1565.20804s) started
T25 << 1462759147.71522808 blocked summation (1571.04763s) stopped
T25 >> 1462759147.72611904 Scalapack redistribute (32.27673s) started
T25 << 1462759147.85513401 Scalapack redistribute (32.40574s) stopped
T25 << 1462759147.85522890 Distribute overlap matrix (1606.22903s) stopped
T25 >> 1462759147.86319304 Blacs Orbital Layouts (16577.05328s) started
T25 >> 1462759147.87394810 General diagonalize (16506.15489s) started
T25 << 1462759208.53404808 General diagonalize (16566.81499s) stopped
T25 >> 1462759208.53409791 Redistribute coefs (5.66804s) started
T25 << 1462759208.54917097 Redistribute coefs (5.68311s) stopped
T25 >> 1462759208.54921389 Send coefs to domains (62.64925s) started
T25 << 1462759208.76511598 Send coefs to domains (62.86516s) stopped
T25 << 1462759208.76572990 Blacs Orbital Layouts (16637.95582s) stopped
T25 >> 1462759208.76575589 Calculate projections (1421.78992s) started
T25 << 1462759213.57440305 Calculate projections (1426.59856s) stopped
T25 << 1462759213.57475996 LCAO eigensolver (20657.43015s) stopped
T25 >> 1462759215.53265095 Density (4486.24030s) started
T25 >> 1462759215.53266692 Pseudo density (3666.59360s) started
T25 >> 1462759215.53406596 Calculate density matrix (3233.60831s) started
T25 << 1462759228.29279900 Calculate density matrix (3246.36705s) stopped
T25 >> 1462759228.29285598 Construct density (422.68026s) started
T25 << 1462759229.94529796 Construct density (424.33270s) stopped
T25 >> 1462759229.98186898 Symmetrize density (0.02046s) started
T25 << 1462759229.98192406 Symmetrize density (0.02052s) stopped
T25 << 1462759229.98402905 Pseudo density (3681.04496s) stopped
T25 >> 1462759229.98408794 Atomic density matrices (682.27494s) started
T25 << 1462759232.67747402 Atomic density matrices (684.96833s) stopped
T25 >> 1462759232.67752695 Multipole moments (2.48467s) started
T25 << 1462759232.68967509 Multipole moments (2.49682s) stopped
T25 >> 1462759232.68973398 Normalize (2.15925s) started
T25 << 1462759232.69677091 Normalize (2.16629s) stopped
T25 >> 1462759232.69688797 Mix (132.69776s) started
T25 << 1462759233.21767306 Mix (133.21854s) stopped
T25 << 1462759233.21775794 Density (4503.92541s) stopped
T25 >> 1462759233.21791410 Hamiltonian (29829.02419s) started
T25 >> 1462759233.21793294 vbar (7.17913s) started
T25 << 1462759233.24250007 vbar (7.20370s) stopped
T25 >> 1462759233.24260712 XC 3D grid (24516.39002s) started
T25 >> 1462759233.78732300 van der Waals (24259.12544s) started
T25 >> 1462759233.91606212 semilocal (15759.01660s) started
T25 << 1462759241.52992797 semilocal (15766.63046s) stopped
T25 >> 1462759241.60573506 redistribute (3513.87893s) started
T25 << 1462759274.05623889 redistribute (3546.32944s) stopped
T25 >> 1462759274.05628109 libvdwxc nonlocal (4931.48412s) started
T25 << 1462759293.15483809 libvdwxc nonlocal (4950.58267s) stopped
T25 >> 1462759293.15490007 redistribute (3546.32947s) started
T25 << 1462759294.82028103 redistribute (3547.99485s) stopped
T25 << 1462759294.82179308 van der Waals (24320.15991s) stopped
T25 << 1462759295.30981398 XC 3D grid (24578.45723s) stopped
T25 >> 1462759295.30985594 Poisson (2070.57166s) started
T25 << 1462759299.85475302 Poisson (2075.11656s) stopped
T25 >> 1462759299.85483003 Hartree integrate/restrict (100.55861s) started
T25 << 1462759299.92026806 Hartree integrate/restrict (100.62405s) stopped
T25 >> 1462759299.92036700 Hartree integrate/restrict (100.62412s) started
T25 << 1462759300.23998690 Hartree integrate/restrict (100.94374s) stopped
T25 >> 1462759300.29777908 Atomic (2734.27046s) started
T25 >> 1462759300.31761694 XC Correction (2094.58319s) started
T25 << 1462759310.30825090 XC Correction (2104.57383s) stopped
T25 << 1462759314.89567208 Atomic (2748.86836s) stopped
T25 >> 1462759314.89599895 Communicate (385.18182s) started
T25 << 1462759314.89611793 Communicate (385.18194s) stopped
T25 << 1462759314.89614201 Hamiltonian (29910.70241s) stopped
T25 >> 1462759314.89624190 LCAO eigensolver (20657.43017s) started
T25 >> 1462759314.89625692 Potential matrix (693.95858s) started
T25 << 1462759317.31298709 Potential matrix (696.37531s) stopped
T25 >> 1462759317.31307793 DistributedAtomicCorrection (290.99940s) started
T25 << 1462759318.41834998 DistributedAtomicCorrection (292.10467s) stopped
T25 >> 1462759318.41844797 Distribute overlap matrix (1606.22904s) started
T25 >> 1462759318.41847205 blocked summation (1571.04767s) started
T25 << 1462759324.39859509 blocked summation (1577.02779s) stopped
T25 >> 1462759324.40827203 Scalapack redistribute (32.40580s) started
T25 << 1462759324.51147890 Scalapack redistribute (32.50901s) stopped
T25 << 1462759324.51154494 Distribute overlap matrix (1612.32214s) stopped
T25 >> 1462759324.51790404 Blacs Orbital Layouts (16637.95583s) started
T25 >> 1462759324.52599096 General diagonalize (16566.81503s) started
T25 << 1462759385.25164890 General diagonalize (16627.54069s) stopped
T25 >> 1462759385.25169706 Redistribute coefs (5.68315s) started
T25 << 1462759385.26912403 Redistribute coefs (5.70057s) stopped
T25 >> 1462759385.26916790 Send coefs to domains (62.86519s) started
T25 << 1462759385.35921311 Send coefs to domains (62.95524s) stopped
T25 << 1462759385.35974097 Blacs Orbital Layouts (16698.79767s) stopped
T25 >> 1462759385.35976791 Calculate projections (1426.59861s) started
T25 << 1462759390.16914701 Calculate projections (1431.40799s) stopped
T25 << 1462759390.16932511 LCAO eigensolver (20732.70325s) stopped
T25 >> 1462759391.61546993 Density (4503.92542s) started
T25 >> 1462759391.61548495 Pseudo density (3681.04501s) started
T25 >> 1462759391.61683989 Calculate density matrix (3246.36709s) started
T25 << 1462759404.39378500 Calculate density matrix (3259.14403s) stopped
T25 >> 1462759404.39384604 Construct density (424.33275s) started
T25 << 1462759406.04530096 Construct density (425.98421s) stopped
T25 >> 1462759406.05952406 Symmetrize density (0.02054s) started
T25 << 1462759406.05958104 Symmetrize density (0.02059s) stopped
T25 << 1462759406.06169701 Pseudo density (3695.49122s) stopped
T25 >> 1462759406.06175303 Atomic density matrices (684.96835s) started
T25 << 1462759408.77638197 Atomic density matrices (687.68298s) stopped
T25 >> 1462759408.77643490 Multipole moments (2.49684s) started
T25 << 1462759408.78756189 Multipole moments (2.50796s) stopped
T25 >> 1462759408.78762007 Normalize (2.16638s) started
T25 << 1462759408.79454803 Normalize (2.17331s) stopped
T25 >> 1462759408.79463601 Mix (133.21862s) started
T25 << 1462759409.35904288 Mix (133.78303s) stopped
T25 << 1462759409.35914493 Density (4521.66910s) stopped
T25 >> 1462759409.35931611 Hamiltonian (29910.70243s) started
T25 >> 1462759409.35933709 vbar (7.20376s) started
T25 << 1462759409.38833690 vbar (7.23276s) stopped
T25 >> 1462759409.38847709 XC 3D grid (24578.45727s) started
T25 >> 1462759409.87339902 van der Waals (24320.15996s) started
T25 >> 1462759410.00408602 semilocal (15766.63056s) started
T25 << 1462760347.67387509 semilocal (16704.30034s) stopped
T25 >> 1462760347.78024006 redistribute (3547.99490s) started
T25 << 1462760348.97945499 redistribute (3549.19412s) stopped
T25 >> 1462760348.97949696 libvdwxc nonlocal (4950.58272s) started
T25 << 1462760368.38319612 libvdwxc nonlocal (4969.98642s) stopped
T25 >> 1462760368.38325310 redistribute (3549.19415s) started
T25 << 1462760370.22216892 redistribute (3551.03306s) stopped
T25 << 1462760370.22355890 van der Waals (25280.51012s) stopped
T25 << 1462760370.71457410 XC 3D grid (25539.78336s) stopped
T25 >> 1462760370.71461606 Poisson (2075.11662s) started
T25 << 1462760375.09205890 Poisson (2079.49406s) stopped
T25 >> 1462760375.09217596 Hartree integrate/restrict (100.94378s) started
T25 << 1462760375.14135695 Hartree integrate/restrict (100.99296s) stopped
T25 >> 1462760375.14140201 Hartree integrate/restrict (100.99299s) started
T25 << 1462760375.48153901 Hartree integrate/restrict (101.33313s) stopped
T25 >> 1462760375.54457688 Atomic (2748.86838s) started
T25 >> 1462760375.56463003 XC Correction (2104.57385s) started
T25 << 1462760385.59596801 XC Correction (2114.60519s) stopped
T25 << 1462760390.00904989 Atomic (2763.33285s) stopped
T25 >> 1462760390.00938511 Communicate (385.18195s) started
T25 << 1462760390.00950193 Communicate (385.18207s) stopped
T25 << 1462760390.00952506 Hamiltonian (30891.35264s) stopped
T25 >> 1462760390.00962210 LCAO eigensolver (20732.70327s) started
T25 >> 1462760390.00963593 Potential matrix (696.37536s) started
T25 << 1462760392.44838810 Potential matrix (698.81411s) stopped
T25 >> 1462760392.44847989 DistributedAtomicCorrection (292.10471s) started
T25 << 1462760393.56251407 DistributedAtomicCorrection (293.21874s) stopped
T25 >> 1462760393.56261206 Distribute overlap matrix (1612.32215s) started
T25 >> 1462760393.56263590 blocked summation (1577.02782s) started
T25 << 1462760399.49379992 blocked summation (1582.95899s) stopped
T25 >> 1462760399.50343394 Scalapack redistribute (32.50905s) started
T25 << 1462760399.59275603 Scalapack redistribute (32.59837s) stopped
T25 << 1462760399.59283805 Distribute overlap matrix (1618.35238s) stopped
T25 >> 1462760399.59721208 Blacs Orbital Layouts (16698.79769s) started
T25 >> 1462760399.60545611 General diagonalize (16627.54072s) started
T25 << 1462760462.23311591 General diagonalize (16690.16838s) stopped
T25 >> 1462760462.23320699 Redistribute coefs (5.70061s) started
T25 << 1462760462.24924493 Redistribute coefs (5.71664s) stopped
T25 >> 1462760462.24928808 Send coefs to domains (62.95528s) started
T25 << 1462760462.35724998 Send coefs to domains (63.06324s) stopped
T25 << 1462760462.35788608 Blacs Orbital Layouts (16761.55836s) stopped
T25 >> 1462760462.35791707 Calculate projections (1431.40804s) started
T25 << 1462760467.16618490 Calculate projections (1436.21630s) stopped
T25 << 1462760467.16637802 LCAO eigensolver (20809.86002s) stopped
T25 << 1462760468.60386491 SCF-cycle (56611.12074s) stopped
T25 >> 1462760471.42348504 Force calculation (2787.12757s) started
T25 >> 1462760471.42356396 LCAO forces (2499.59503s) started
T25 >> 1462760471.42393088 Initial (0.00072s) started
T25 << 1462760471.42394209 Initial (0.00073s) stopped
T25 >> 1462760471.43045211 Get density matrix (1167.32045s) started
T25 << 1462760480.81645203 Get density matrix (1176.70645s) stopped
T25 >> 1462760480.81649709 Potential (397.30894s) started
T25 << 1462760493.34430289 Potential (409.83675s) stopped
T25 >> 1462760493.34435606 Get density matrix (1176.70649s) started
T25 << 1462760520.46467900 Get density matrix (1203.82681s) stopped
T25 >> 1462760520.46473908 Prepare TCI loop (78.70330s) started
T25 >> 1462760520.46529198 Get neighbors (71.04272s) started
T25 << 1462760522.63967204 Get neighbors (73.21710s) stopped
T25 >> 1462760522.64071894 broadcast dH (7.61912s) started
T25 << 1462760522.97433305 broadcast dH (7.95273s) stopped
T25 << 1462760522.97437811 Prepare TCI loop (81.21294s) stopped
T25 >> 1462760522.97439599 Not so complicated loop (334.97454s) started
T25 << 1462760533.56190705 Not so complicated loop (345.56205s) stopped
T25 >> 1462760533.68316007 Complicated loop (517.14553s) started
T25 << 1462760549.87530589 Complicated loop (533.33768s) stopped
T25 >> 1462760549.87865496 Wait for sum (0.00347s) started
T25 << 1462760549.87874198 Wait for sum (0.00356s) stopped
T25 << 1462760549.87875700 LCAO forces (2578.05022s) stopped
T25 << 1462760558.12995100 Force calculation (2873.83403s) stopped
T25 >> 1462760558.15041208 Initialization (4212.17147s) started
T25 << 1462760558.15063095 Initialization (4212.17169s) stopped
T25 >> 1462760558.15092707 Initialization (4212.17171s) started
T25 << 1462760558.15109205 Initialization (4212.17188s) stopped
T25 >> 1462760558.15124798 Initialization (4212.17189s) started
T25 << 1462760558.15140104 Initialization (4212.17205s) stopped
T25 >> 1462760581.57362103 Initialization (4212.17206s) started
T25 >> 1462760581.74413300 Basic WFS set positions (4.44785s) started
T25 >> 1462760581.74415588 Redistribute (0.28499s) started
T25 << 1462760581.74428892 Redistribute (0.28513s) stopped
T25 << 1462760581.90214992 Basic WFS set positions (4.60587s) stopped
T25 >> 1462760581.90217900 Basis functions set positions (67.33546s) started
T25 << 1462760584.10287690 Basis functions set positions (69.53616s) stopped
T25 >> 1462760584.10848498 TCI: Calculate S, T, P (826.96264s) started
T25 << 1462760611.33411598 TCI: Calculate S, T, P (854.18827s) stopped
T25 >> 1462760611.33422208 blocked summation (840.54403s) started
T25 << 1462760642.87123299 blocked summation (872.08104s) stopped
T25 >> 1462760642.88973188 Scalapack redistribute (9.04791s) started
T25 << 1462760642.98955297 Scalapack redistribute (9.14773s) stopped
T25 >> 1462760642.99051499 blocked summation (872.08108s) started
T25 << 1462760644.30397201 blocked summation (873.39453s) stopped
T25 >> 1462760644.31260204 Scalapack redistribute (9.14779s) started
T25 << 1462760644.59372592 Scalapack redistribute (9.42892s) stopped
T25 >> 1462760644.59615302 Redistribute (0.80510s) started
T25 << 1462760644.59736609 Redistribute (0.80631s) stopped
T25 >> 1462760646.62449002 Redistribute (0.80633s) started
T25 << 1462760646.62623405 Redistribute (0.80808s) stopped
T25 >> 1462760646.65891600 LCAO WFS Initialize (2381.89358s) started
T25 >> 1462760646.65894294 Density initialize from wavefunctions (473.80626s) started
T25 >> 1462760646.66245198 Calculate density matrix (322.86070s) started
T25 << 1462760656.72893190 Calculate density matrix (332.92718s) stopped
T25 >> 1462760656.72898793 Construct density (52.47077s) started
T25 << 1462760658.37040305 Construct density (54.11219s) stopped
T25 >> 1462760658.44358993 Symmetrize density (0.00250s) started
T25 << 1462760658.44365311 Symmetrize density (0.00256s) stopped
T25 << 1462760661.44796395 Density initialize from wavefunctions (488.59528s) stopped
T25 >> 1462760661.44879699 Hamiltonian (1907.04698s) started
T25 >> 1462760661.44882202 vbar (0.82887s) started
T25 << 1462760661.47050810 vbar (0.85056s) stopped
T25 >> 1462760661.47064400 XC 3D grid (989.68313s) started
T25 >> 1462760662.07132912 van der Waals (956.93268s) started
T25 >> 1462760662.20687795 semilocal (218.25632s) started
T25 << 1462760668.87296104 semilocal (224.92240s) stopped
T25 >> 1462760668.93235493 redistribute (100.34225s) started
T25 << 1462760670.39531112 redistribute (101.80520s) stopped
T25 >> 1462760670.39544892 libvdwxc nonlocal (631.63225s) started
T25 << 1462760689.58209109 libvdwxc nonlocal (650.81889s) stopped
T25 >> 1462760689.58216596 redistribute (101.80527s) started
T25 << 1462760691.61829901 redistribute (103.84140s) stopped
T25 << 1462760691.61960912 van der Waals (986.48096s) stopped
T25 << 1462760692.12460709 XC 3D grid (1020.33710s) stopped
T25 >> 1462760692.12464905 Poisson (466.99152s) started
T25 << 1462760704.11068797 Poisson (478.97756s) stopped
T25 >> 1462760704.11078000 Hartree integrate/restrict (13.07438s) started
T25 << 1462760704.16934705 Hartree integrate/restrict (13.13294s) stopped
T25 >> 1462760704.16944194 Hartree integrate/restrict (13.13301s) started
T25 << 1462760704.49045992 Hartree integrate/restrict (13.45402s) stopped
T25 >> 1462760704.54764605 Atomic (411.31011s) started
T25 >> 1462760704.56805301 XC Correction (304.35677s) started
T25 << 1462760715.57535100 XC Correction (315.36407s) stopped
T25 << 1462760720.64584708 Atomic (427.40831s) stopped
T25 >> 1462760720.64626598 Communicate (23.12543s) started
T25 << 1462760720.64649105 Communicate (23.12565s) stopped
T25 << 1462760720.64651394 Hamiltonian (1966.24470s) stopped
T25 << 1462760720.64657903 LCAO WFS Initialize (2455.88124s) stopped
T25 << 1462760720.65907598 Initialization (4351.25752s) stopped
T25 >> 1462760720.68912196 SCF-cycle (56611.12076s) started
T25 >> 1462760720.68917298 LCAO eigensolver (20809.86004s) started
T25 >> 1462760720.68918610 Potential matrix (698.81417s) started
T25 << 1462760723.09397101 Potential matrix (701.21895s) stopped
T25 >> 1462760723.09405899 DistributedAtomicCorrection (293.21877s) started
T25 << 1462760724.16845393 DistributedAtomicCorrection (294.29317s) stopped
T25 >> 1462760724.16855907 Distribute overlap matrix (1618.35239s) started
T25 >> 1462760724.16858292 blocked summation (1582.95902s) started
T25 << 1462760729.97509694 blocked summation (1588.76554s) stopped
T25 >> 1462760729.98495507 Scalapack redistribute (32.59842s) started
T25 << 1462760730.13472891 Scalapack redistribute (32.74819s) stopped
T25 << 1462760730.13485289 Distribute overlap matrix (1624.31868s) stopped
T25 >> 1462760730.14281797 Blacs Orbital Layouts (16761.55838s) started
T25 >> 1462760730.15134001 General diagonalize (16690.16846s) started
T25 << 1462760791.03280807 General diagonalize (16751.04993s) stopped
T25 >> 1462760791.03285909 Redistribute coefs (5.71668s) started
T25 << 1462760791.05478311 Redistribute coefs (5.73860s) stopped
T25 >> 1462760791.05482101 Send coefs to domains (63.06327s) started
T25 << 1462760791.34068704 Send coefs to domains (63.34914s) stopped
T25 << 1462760791.34101009 Blacs Orbital Layouts (16822.75658s) stopped
T25 >> 1462760791.34104490 Calculate projections (1436.21636s) started
T25 << 1462760796.14994693 Calculate projections (1441.02526s) stopped
T25 << 1462760796.15030694 LCAO eigensolver (20885.32117s) stopped
T25 >> 1462760797.55477309 Density (4521.66912s) started
T25 >> 1462760797.55478692 Pseudo density (3695.49126s) started
T25 >> 1462760797.55775499 Calculate density matrix (3259.14407s) started
T25 << 1462760810.36085200 Calculate density matrix (3271.94717s) stopped
T25 >> 1462760810.36091089 Construct density (425.98426s) started
T25 << 1462760812.00929999 Construct density (427.63265s) stopped
T25 >> 1462760812.02375102 Symmetrize density (0.02061s) started
T25 << 1462760812.02381396 Symmetrize density (0.02067s) stopped
T25 << 1462760812.02622604 Pseudo density (3709.96270s) stopped
T25 >> 1462760812.02628303 Atomic density matrices (687.68301s) started
T25 << 1462760814.73858690 Atomic density matrices (690.39531s) stopped
T25 >> 1462760814.73864007 Multipole moments (2.50798s) started
T25 << 1462760814.75108004 Multipole moments (2.52042s) stopped
T25 >> 1462760814.75114012 Normalize (2.17337s) started
T25 << 1462760814.76144505 Normalize (2.18367s) stopped
T25 >> 1462760814.76149106 Mix (133.78313s) started
T25 << 1462760815.20984292 Mix (134.23148s) stopped
T25 << 1462760815.20994496 Density (4539.32429s) stopped
T25 >> 1462760815.21025705 Hamiltonian (30891.35265s) started
T25 >> 1462760815.21028304 vbar (7.23284s) started
T25 << 1462760815.23839593 vbar (7.26095s) stopped
T25 >> 1462760815.23853397 XC 3D grid (25539.78340s) started
T25 >> 1462760815.73376989 van der Waals (25280.51019s) started
T25 >> 1462760815.86509895 semilocal (16704.30045s) started
T25 << 1462760822.16483593 semilocal (16710.60018s) stopped
T25 >> 1462760822.27816296 redistribute (3551.03314s) started
T25 << 1462760823.99974895 redistribute (3552.75473s) stopped
T25 >> 1462760823.99981904 libvdwxc nonlocal (4969.98646s) started
T25 << 1462760843.48597288 libvdwxc nonlocal (4989.47261s) stopped
T25 >> 1462760843.48605490 redistribute (3552.75479s) started
T25 << 1462760845.10785604 redistribute (3554.37659s) stopped
T25 << 1462760845.10958409 van der Waals (25309.88600s) stopped
T25 << 1462760845.59088898 XC 3D grid (25570.13575s) stopped
T25 >> 1462760845.59094191 Poisson (2079.49416s) started
T25 << 1462760851.60008407 Poisson (2085.50330s) stopped
T25 >> 1462760851.60017610 Hartree integrate/restrict (101.33320s) started
T25 << 1462760851.65790701 Hartree integrate/restrict (101.39093s) stopped
T25 >> 1462760851.65795898 Hartree integrate/restrict (101.39097s) started
T25 << 1462760851.97600389 Hartree integrate/restrict (101.70901s) stopped
T25 >> 1462760852.03749394 Atomic (2763.33288s) started
T25 >> 1462760852.05730891 XC Correction (2114.60522s) started
T25 << 1462760862.85674500 XC Correction (2125.40466s) stopped
T25 << 1462760868.20127201 Atomic (2779.49666s) stopped
T25 >> 1462760868.20162201 Communicate (385.18209s) started
T25 << 1462760868.20173001 Communicate (385.18219s) stopped
T25 << 1462760868.20175290 Hamiltonian (30944.34414s) stopped
T25 >> 1462760868.20185590 LCAO eigensolver (20885.32119s) started
T25 >> 1462760868.20187211 Potential matrix (701.21900s) started
T25 << 1462760870.62083697 Potential matrix (703.63797s) stopped
T25 >> 1462760870.62092400 DistributedAtomicCorrection (294.29321s) started
T25 << 1462760871.70507503 DistributedAtomicCorrection (295.37736s) stopped
T25 >> 1462760871.70517993 Distribute overlap matrix (1624.31870s) started
T25 >> 1462760871.70520401 blocked summation (1588.76557s) started
T25 << 1462760877.59217811 blocked summation (1594.65255s) stopped
T25 >> 1462760877.60154104 Scalapack redistribute (32.74826s) started
T25 << 1462760877.73682904 Scalapack redistribute (32.88355s) stopped
T25 << 1462760877.73688102 Distribute overlap matrix (1630.35040s) stopped
T25 >> 1462760877.74311590 Blacs Orbital Layouts (16822.75660s) started
T25 >> 1462760877.75103903 General diagonalize (16751.04997s) started
T25 << 1462760935.51149607 General diagonalize (16808.81043s) stopped
T25 >> 1462760935.51154709 Redistribute coefs (5.73863s) started
T25 << 1462760935.52872396 Redistribute coefs (5.75581s) stopped
T25 >> 1462760935.52876806 Send coefs to domains (63.34919s) started
T25 << 1462760935.62113690 Send coefs to domains (63.44155s) stopped
T25 << 1462760935.62150693 Blacs Orbital Layouts (16880.63499s) stopped
T25 >> 1462760935.62155390 Calculate projections (1441.02531s) started
T25 << 1462760940.43066096 Calculate projections (1445.83442s) stopped
T25 << 1462760940.43102598 LCAO eigensolver (20957.55036s) stopped
T25 >> 1462760941.89231300 Density (4539.32431s) started
T25 >> 1462760941.89232802 Pseudo density (3709.96275s) started
T25 >> 1462760941.89429498 Calculate density matrix (3271.94721s) started
T25 << 1462760954.66025305 Calculate density matrix (3284.71317s) stopped
T25 >> 1462760954.66031003 Construct density (427.63270s) started
T25 << 1462760956.30862308 Construct density (429.28101s) stopped
T25 >> 1462760956.35239911 Symmetrize density (0.02069s) started
T25 << 1462760956.35245490 Symmetrize density (0.02075s) stopped
T25 << 1462760956.35482788 Pseudo density (3724.42525s) stopped
T25 >> 1462760956.35488296 Atomic density matrices (690.39534s) started
T25 << 1462760959.01168609 Atomic density matrices (693.05214s) stopped
T25 >> 1462760959.01173902 Multipole moments (2.52044s) started
T25 << 1462760959.02343202 Multipole moments (2.53213s) stopped
T25 >> 1462760959.02349305 Normalize (2.18371s) started
T25 << 1462760959.03116703 Normalize (2.19138s) stopped
T25 >> 1462760959.03121209 Mix (134.23158s) started
T25 << 1462760959.59865308 Mix (134.79902s) stopped
T25 << 1462760959.59871292 Density (4557.03071s) stopped
T25 >> 1462760959.59891510 Hamiltonian (30944.34416s) started
T25 >> 1462760959.59893107 vbar (7.26103s) started
T25 << 1462760959.61742091 vbar (7.27952s) stopped
T25 >> 1462760959.61751509 XC 3D grid (25570.13580s) started
T25 >> 1462760960.11170506 van der Waals (25309.88605s) started
T25 >> 1462760960.24572206 semilocal (16710.60031s) started
T25 << 1462760966.67659593 semilocal (16717.03119s) stopped
T25 >> 1462760966.78147292 redistribute (3554.37664s) started
T25 << 1462760968.27608109 redistribute (3555.87125s) stopped
T25 >> 1462760968.27612495 libvdwxc nonlocal (4989.47266s) started
T25 << 1462760987.71759510 libvdwxc nonlocal (5008.91413s) stopped
T25 >> 1462760987.71766210 redistribute (3555.87128s) started
T25 << 1462760989.52225804 redistribute (3557.67588s) stopped
T25 << 1462760989.52445889 van der Waals (25339.29880s) stopped
T25 << 1462760990.02035189 XC 3D grid (25600.53863s) stopped
T25 >> 1462760990.02039194 Poisson (2085.50337s) started
T25 << 1462760995.97220993 Poisson (2091.45519s) stopped
T25 >> 1462760995.97227693 Hartree integrate/restrict (101.70906s) started
T25 << 1462760996.02716494 Hartree integrate/restrict (101.76394s) stopped
T25 >> 1462760996.02724004 Hartree integrate/restrict (101.76400s) started
T25 << 1462760996.39062309 Hartree integrate/restrict (102.12738s) stopped
T25 >> 1462760996.45145988 Atomic (2779.49668s) started
T25 >> 1462760996.47118807 XC Correction (2125.40468s) started
T25 << 1462761006.90368509 XC Correction (2135.83718s) stopped
T25 << 1462761012.09710097 Atomic (2795.14232s) stopped
T25 >> 1462761012.09742689 Communicate (385.18221s) started
T25 << 1462761012.09754491 Communicate (385.18233s) stopped
T25 << 1462761012.09756804 Hamiltonian (30996.84281s) stopped
T25 >> 1462761012.09767008 LCAO eigensolver (20957.55038s) started
T25 >> 1462761012.09768510 Potential matrix (703.63802s) started
T25 << 1462761014.51783895 Potential matrix (706.05817s) stopped
T25 >> 1462761014.51793003 DistributedAtomicCorrection (295.37739s) started
T25 << 1462761015.58481407 DistributedAtomicCorrection (296.44428s) stopped
T25 >> 1462761015.58491707 Distribute overlap matrix (1630.35041s) started
T25 >> 1462761015.58493996 blocked summation (1594.65258s) started
T25 << 1462761021.44077802 blocked summation (1600.50842s) stopped
T25 >> 1462761021.45003295 Scalapack redistribute (32.88359s) started
T25 << 1462761021.55778909 Scalapack redistribute (32.99135s) stopped
T25 << 1462761021.55786490 Distribute overlap matrix (1636.32336s) stopped
T25 >> 1462761021.56300211 Blacs Orbital Layouts (16880.63501s) started
T25 >> 1462761021.57051611 General diagonalize (16808.81047s) started
T25 << 1462761081.47258711 General diagonalize (16868.71254s) stopped
T25 >> 1462761081.47263503 Redistribute coefs (5.75584s) started
T25 << 1462761081.48975611 Redistribute coefs (5.77296s) stopped
T25 >> 1462761081.48980308 Send coefs to domains (63.44159s) started
T25 << 1462761081.66789603 Send coefs to domains (63.61968s) stopped
T25 << 1462761081.66823506 Blacs Orbital Layouts (16940.74024s) stopped
T25 >> 1462761081.66826391 Calculate projections (1445.83447s) started
T25 << 1462761086.47912788 Calculate projections (1450.64534s) stopped
T25 << 1462761086.47948694 LCAO eigensolver (21031.93220s) stopped
T25 >> 1462761088.57727003 Density (4557.03072s) started
T25 >> 1462761088.57728505 Pseudo density (3724.42529s) started
T25 >> 1462761088.57987094 Calculate density matrix (3284.71320s) started
T25 << 1462761101.27112889 Calculate density matrix (3297.40446s) stopped
T25 >> 1462761101.27118802 Construct density (429.28107s) started
T25 << 1462761102.92399001 Construct density (430.93387s) stopped
T25 >> 1462761102.93739009 Symmetrize density (0.02077s) started
T25 << 1462761102.93744802 Symmetrize density (0.02082s) stopped
T25 << 1462761102.93981791 Pseudo density (3738.78782s) stopped
T25 >> 1462761102.93987393 Atomic density matrices (693.05217s) started
T25 << 1462761105.66112494 Atomic density matrices (695.77342s) stopped
T25 >> 1462761105.66117811 Multipole moments (2.53215s) started
T25 << 1462761105.67063904 Multipole moments (2.54161s) stopped
T25 >> 1462761105.67070007 Normalize (2.19141s) started
T25 << 1462761105.68114591 Normalize (2.20186s) stopped
T25 >> 1462761105.68119907 Mix (134.79907s) started
T25 << 1462761106.20047402 Mix (135.31835s) stopped
T25 << 1462761106.20057702 Density (4574.65403s) stopped
T25 >> 1462761106.20091510 Hamiltonian (30996.84282s) started
T25 >> 1462761106.20093393 vbar (7.27957s) started
T25 << 1462761106.23298693 vbar (7.31162s) stopped
T25 >> 1462761106.23311496 XC 3D grid (25600.53866s) started
T25 >> 1462761106.77199793 van der Waals (25339.29891s) started
T25 >> 1462761106.90383410 semilocal (16717.03132s) started
T25 << 1462761116.11448312 semilocal (16726.24196s) stopped
T25 >> 1462761116.18237400 redistribute (3557.67597s) started
T25 << 1462761117.15283990 redistribute (3558.64644s) stopped
T25 >> 1462761117.15288591 libvdwxc nonlocal (5008.91418s) started
T25 << 1462761137.00542307 libvdwxc nonlocal (5028.76672s) stopped
T25 >> 1462761137.00548792 redistribute (3558.64648s) started
T25 << 1462761138.90057492 redistribute (3560.54156s) stopped
T25 << 1462761138.90193510 van der Waals (25371.42885s) stopped
T25 << 1462761139.39512610 XC 3D grid (25633.70067s) stopped
T25 >> 1462761139.39518094 Poisson (2091.45523s) started
T25 << 1462761145.61484194 Poisson (2097.67489s) stopped
T25 >> 1462761145.61490989 Hartree integrate/restrict (102.12742s) started
T25 << 1462761145.67008996 Hartree integrate/restrict (102.18260s) stopped
T25 >> 1462761145.67013788 Hartree integrate/restrict (102.18263s) started
T25 << 1462761146.00561595 Hartree integrate/restrict (102.51811s) stopped
T25 >> 1462761146.06759691 Atomic (2795.14235s) started
T25 >> 1462761146.08751607 XC Correction (2135.83720s) started
T25 << 1462761156.34943390 XC Correction (2146.09912s) stopped
T25 << 1462761161.01677203 Atomic (2810.09152s) stopped
T25 >> 1462761161.01711512 Communicate (385.18234s) started
T25 << 1462761161.01722598 Communicate (385.18245s) stopped
T25 << 1462761161.01724911 Hamiltonian (31051.65916s) stopped
T25 >> 1462761161.01734900 LCAO eigensolver (21031.93222s) started
T25 >> 1462761161.01736403 Potential matrix (706.05823s) started
T25 << 1462761163.43196511 Potential matrix (708.47283s) stopped
T25 >> 1462761163.43206096 DistributedAtomicCorrection (296.44431s) started
T25 << 1462761164.51315904 DistributedAtomicCorrection (297.52541s) stopped
T25 >> 1462761164.51326394 Distribute overlap matrix (1636.32337s) started
T25 >> 1462761164.51328802 blocked summation (1600.50845s) started
T25 << 1462761170.42697406 blocked summation (1606.42214s) stopped
T25 >> 1462761170.43609095 Scalapack redistribute (32.99139s) started
T25 << 1462761170.58107090 Scalapack redistribute (33.13637s) stopped
T25 << 1462761170.58116388 Distribute overlap matrix (1642.39127s) stopped
T25 >> 1462761170.58631206 Blacs Orbital Layouts (16940.74026s) started
T25 >> 1462761170.59446907 General diagonalize (16868.71258s) started
T25 << 1462761231.02995896 General diagonalize (16929.14807s) stopped
T25 >> 1462761231.03000689 Redistribute coefs (5.77300s) started
T25 << 1462761231.04636002 Redistribute coefs (5.78935s) stopped
T25 >> 1462761231.04640388 Send coefs to domains (63.61972s) started
T25 << 1462761231.17130089 Send coefs to domains (63.74462s) stopped
T25 << 1462761231.17163110 Blacs Orbital Layouts (17001.32558s) stopped
T25 >> 1462761231.17167401 Calculate projections (1450.64539s) started
T25 << 1462761235.98252201 Calculate projections (1455.45624s) stopped
T25 << 1462761235.98270893 LCAO eigensolver (21106.89758s) stopped
T25 >> 1462761238.30675101 Density (4574.65405s) started
T25 >> 1462761238.30676699 Pseudo density (3738.78787s) started
T25 >> 1462761238.30837703 Calculate density matrix (3297.40450s) started
T25 << 1462761251.07798290 Calculate density matrix (3310.17410s) stopped
T25 >> 1462761251.07804489 Construct density (430.93392s) started
T25 << 1462761252.72854090 Construct density (432.58442s) stopped
T25 >> 1462761252.74222803 Symmetrize density (0.02084s) started
T25 << 1462761252.74228406 Symmetrize density (0.02090s) stopped
T25 << 1462761252.74462605 Pseudo density (3753.22573s) stopped
T25 >> 1462761252.74467993 Atomic density matrices (695.77344s) started
T25 << 1462761255.44808507 Atomic density matrices (698.47685s) stopped
T25 >> 1462761255.44813895 Multipole moments (2.54163s) started
T25 << 1462761255.45871210 Multipole moments (2.55220s) stopped
T25 >> 1462761255.45877194 Normalize (2.20190s) started
T25 << 1462761255.46582890 Normalize (2.20896s) stopped
T25 >> 1462761255.46590590 Mix (135.31845s) started
T25 << 1462761256.07032704 Mix (135.92287s) stopped
T25 << 1462761256.07038307 Density (4592.41768s) stopped
T25 >> 1462761256.07062006 Hamiltonian (31051.65917s) started
T25 >> 1462761256.07063699 vbar (7.31170s) started
T25 << 1462761256.09277797 vbar (7.33384s) stopped
T25 >> 1462761256.09287906 XC 3D grid (25633.70072s) started
T25 >> 1462761256.61465693 van der Waals (25371.42892s) started
T25 >> 1462761256.74436688 semilocal (16726.24206s) started
T25 << 1462761507.66243410 semilocal (16977.16013s) stopped
T25 >> 1462761507.72020292 redistribute (3560.54163s) started
T25 << 1462761508.62210107 redistribute (3561.44353s) stopped
T25 >> 1462761508.62214589 libvdwxc nonlocal (5028.76676s) started
T25 << 1462761528.25117493 libvdwxc nonlocal (5048.39579s) stopped
T25 >> 1462761528.25121999 redistribute (3561.44356s) started
T25 << 1462761529.87304902 redistribute (3563.06539s) stopped
T25 << 1462761529.87523890 van der Waals (25644.68951s) stopped
T25 << 1462761530.36866403 XC 3D grid (25907.97650s) stopped
T25 >> 1462761530.36870599 Poisson (2097.67494s) started
T25 << 1462761535.07527304 Poisson (2102.38151s) stopped
T25 >> 1462761535.07535410 Hartree integrate/restrict (102.51817s) started
T25 << 1462761535.13884807 Hartree integrate/restrict (102.58166s) stopped
T25 >> 1462761535.13889909 Hartree integrate/restrict (102.58170s) started
T25 << 1462761535.47328711 Hartree integrate/restrict (102.91608s) stopped
T25 >> 1462761535.53205705 Atomic (2810.09154s) started
T25 >> 1462761535.55182600 XC Correction (2146.09915s) started
T25 << 1462761545.86759400 XC Correction (2156.41492s) stopped
T25 << 1462761550.17825389 Atomic (2824.73774s) stopped
T25 >> 1462761550.17854190 Communicate (385.18247s) started
T25 << 1462761550.31545997 Communicate (385.31938s) stopped
T25 << 1462761550.31548405 Hamiltonian (31345.90403s) stopped
T25 >> 1462761550.31558490 LCAO eigensolver (21106.89759s) started
T25 >> 1462761550.31559992 Potential matrix (708.47288s) started
T25 << 1462761552.72644210 Potential matrix (710.88372s) stopped
T25 >> 1462761552.72653699 DistributedAtomicCorrection (297.52545s) started
T25 << 1462761553.83531499 DistributedAtomicCorrection (298.63423s) stopped
T25 >> 1462761553.83541989 Distribute overlap matrix (1642.39128s) started
T25 >> 1462761553.83544397 blocked summation (1606.42217s) started
T25 << 1462761559.77384210 blocked summation (1612.36057s) stopped
T25 >> 1462761559.78268409 Scalapack redistribute (33.13642s) started
T25 << 1462761559.89817095 Scalapack redistribute (33.25191s) stopped
T25 << 1462761559.89827204 Distribute overlap matrix (1648.45414s) stopped
T25 >> 1462761559.90264106 Blacs Orbital Layouts (17001.32560s) started
T25 >> 1462761559.91089010 General diagonalize (16929.14811s) started
T25 << 1462761621.40367508 General diagonalize (16990.64089s) stopped
T25 >> 1462761621.40372300 Redistribute coefs (5.78939s) started
T25 << 1462761621.42011404 Redistribute coefs (5.80578s) stopped
T25 >> 1462761621.42016411 Send coefs to domains (63.74465s) started
T25 << 1462761621.87074590 Send coefs to domains (64.19524s) stopped
T25 << 1462761621.87129593 Blacs Orbital Layouts (17063.29425s) stopped
T25 >> 1462761621.87133908 Calculate projections (1455.45629s) started
T25 << 1462761626.67797589 Calculate projections (1460.26293s) stopped
T25 << 1462761626.67816901 LCAO eigensolver (21183.26018s) stopped
T25 >> 1462761628.22274709 Density (4592.41769s) started
T25 >> 1462761628.22276306 Pseudo density (3753.22577s) started
T25 >> 1462761628.22459006 Calculate density matrix (3310.17414s) started
T25 << 1462761640.98233700 Calculate density matrix (3322.93189s) stopped
T25 >> 1462761640.98239708 Construct density (432.58447s) started
T25 << 1462761642.62912202 Construct density (434.23120s) stopped
T25 >> 1462761642.64709496 Symmetrize density (0.02092s) started
T25 << 1462761642.64715099 Symmetrize density (0.02097s) stopped
T25 << 1462761642.64946890 Pseudo density (3767.65248s) stopped
T25 >> 1462761642.64952207 Atomic density matrices (698.47688s) started
T25 << 1462761645.33868694 Atomic density matrices (701.16604s) stopped
T25 >> 1462761645.33874011 Multipole moments (2.55222s) started
T25 << 1462761645.35082603 Multipole moments (2.56431s) stopped
T25 >> 1462761645.35088706 Normalize (2.20901s) started
T25 << 1462761645.35856390 Normalize (2.21669s) stopped
T25 >> 1462761645.35860991 Mix (135.92292s) started
T25 << 1462761645.86913991 Mix (136.43345s) stopped
T25 << 1462761645.86923409 Density (4610.06418s) stopped
T25 >> 1462761645.86958003 Hamiltonian (31345.90405s) started
T25 >> 1462761645.86959910 vbar (7.33389s) started
T25 << 1462761645.89494705 vbar (7.35924s) stopped
T25 >> 1462761645.89509106 XC 3D grid (25907.97654s) started
T25 >> 1462761646.41058493 van der Waals (25644.68961s) started
T25 >> 1462761646.54273391 semilocal (16977.16018s) started
T25 << 1462762807.47545004 semilocal (18138.09290s) stopped
T25 >> 1462762807.55752707 redistribute (3563.06548s) started
T25 << 1462762808.67663598 redistribute (3564.18459s) stopped
T25 >> 1462762808.67668200 libvdwxc nonlocal (5048.39583s) started
T25 << 1462762827.86643791 libvdwxc nonlocal (5067.58558s) stopped
T25 >> 1462762827.86650896 redistribute (3564.18462s) started
T25 << 1462762829.52732706 redistribute (3565.84544s) stopped
T25 << 1462762829.52921009 van der Waals (26827.80824s) stopped
T25 << 1462762830.02564907 XC 3D grid (27092.10710s) stopped
T25 >> 1462762830.02569008 Poisson (2102.38157s) started
T25 << 1462762834.55146408 Poisson (2106.90734s) stopped
T25 >> 1462762834.55156493 Hartree integrate/restrict (102.91613s) started
T25 << 1462762834.60719609 Hartree integrate/restrict (102.97176s) stopped
T25 >> 1462762834.60725093 Hartree integrate/restrict (102.97180s) started
T25 << 1462762834.93542290 Hartree integrate/restrict (103.29997s) stopped
T25 >> 1462762835.00229192 Atomic (2824.73776s) started
T25 >> 1462762835.02267909 XC Correction (2156.41495s) started
T25 << 1462762845.45156693 XC Correction (2166.84383s) stopped
T25 << 1462762849.63129997 Atomic (2839.36677s) stopped
T25 >> 1462762849.63159394 Communicate (385.31940s) started
T25 << 1462762849.87751293 Communicate (385.56532s) stopped
T25 << 1462762849.87753701 Hamiltonian (32549.91201s) stopped
T25 >> 1462762849.87765193 LCAO eigensolver (21183.26020s) started
T25 >> 1462762849.87766695 Potential matrix (710.88378s) started
T25 << 1462762852.29357409 Potential matrix (713.29968s) stopped
T25 >> 1462762852.29366708 DistributedAtomicCorrection (298.63426s) started
T25 << 1462762853.36235094 DistributedAtomicCorrection (299.70295s) stopped
T25 >> 1462762853.36245489 Distribute overlap matrix (1648.45415s) started
T25 >> 1462762853.36247897 blocked summation (1612.36060s) started
T25 << 1462762859.20276093 blocked summation (1618.20089s) stopped
T25 >> 1462762859.21240902 Scalapack redistribute (33.25197s) started
T25 << 1462762859.33512497 Scalapack redistribute (33.37469s) stopped
T25 << 1462762859.33521295 Distribute overlap matrix (1654.42691s) stopped
T25 >> 1462762859.33983803 Blacs Orbital Layouts (17063.29428s) started
T25 >> 1462762859.34752989 General diagonalize (16990.64093s) started
T25 << 1462762917.86078906 General diagonalize (17049.15419s) stopped
T25 >> 1462762917.86083388 Redistribute coefs (5.80582s) started
T25 << 1462762917.88815594 Redistribute coefs (5.83314s) stopped
T25 >> 1462762917.88819695 Send coefs to domains (64.19528s) started
T25 << 1462762918.08846998 Send coefs to domains (64.39555s) stopped
T25 << 1462762918.08877110 Blacs Orbital Layouts (17122.04321s) stopped
T25 >> 1462762918.08893895 Calculate projections (1460.26298s) started
T25 << 1462762922.95641088 Calculate projections (1465.13045s) stopped
T25 << 1462762922.95683002 LCAO eigensolver (21256.33937s) stopped
T25 << 1462762924.34671903 SCF-cycle (58814.77836s) stopped
T25 >> 1462762927.14170504 Force calculation (2873.83406s) started
T25 >> 1462762927.14178801 LCAO forces (2578.05023s) started
T25 >> 1462762927.14217591 Initial (0.00074s) started
T25 << 1462762927.14218712 Initial (0.00075s) stopped
T25 >> 1462762927.15697193 Get density matrix (1203.82685s) started
T25 << 1462762936.49226403 Get density matrix (1213.16214s) stopped
T25 >> 1462762936.49230599 Potential (409.83679s) started
T25 << 1462762948.99183202 Potential (422.33631s) stopped
T25 >> 1462762948.99189091 Get density matrix (1213.16217s) started
T25 << 1462762976.13339305 Get density matrix (1240.30367s) stopped
T25 >> 1462762976.13349295 Prepare TCI loop (81.21296s) started
T25 >> 1462762976.13422489 Get neighbors (73.21715s) started
T25 << 1462762978.47083998 Get neighbors (75.55376s) stopped
T25 >> 1462762978.47206092 broadcast dH (7.95276s) started
T25 << 1462762978.61291695 broadcast dH (8.09361s) stopped
T25 << 1462762978.61296797 Prepare TCI loop (83.69243s) stopped
T25 >> 1462762978.61299109 Not so complicated loop (345.56209s) started
T25 << 1462762989.43896604 Not so complicated loop (356.38806s) stopped
T25 >> 1462762989.55668402 Complicated loop (533.33771s) started
T25 << 1462763005.81206608 Complicated loop (549.59310s) stopped
T25 >> 1462763005.81479812 Wait for sum (0.00357s) started
T25 << 1462763005.81488299 Wait for sum (0.00366s) stopped
T25 << 1462763005.81489801 LCAO forces (2656.72334s) stopped
T25 << 1462763014.72375894 Force calculation (2961.41611s) stopped
T25 >> 1462763014.74485993 Initialization (4351.25754s) started
T25 << 1462763014.74509311 Initialization (4351.25777s) stopped
T25 >> 1462763014.74546194 Initialization (4351.25779s) started
T25 << 1462763014.74561691 Initialization (4351.25794s) stopped
T25 >> 1462763014.74577093 Initialization (4351.25796s) started
T25 << 1462763014.74592400 Initialization (4351.25811s) stopped
T25 >> 1462763038.05192900 Initialization (4351.25813s) started
T25 >> 1462763038.27908111 Basic WFS set positions (4.60589s) started
T25 >> 1462763038.27910590 Redistribute (0.28514s) started
T25 << 1462763038.27924490 Redistribute (0.28528s) stopped
T25 << 1462763038.44042611 Basic WFS set positions (4.76724s) stopped
T25 >> 1462763038.44045591 Basis functions set positions (69.53619s) started
T25 << 1462763040.62384295 Basis functions set positions (71.71958s) stopped
T25 >> 1462763040.63001990 TCI: Calculate S, T, P (854.18831s) started
T25 << 1462763068.04390812 TCI: Calculate S, T, P (881.60220s) stopped
T25 >> 1462763068.04402995 blocked summation (873.39457s) started
T25 << 1462763099.46471310 blocked summation (904.81525s) stopped
T25 >> 1462763099.48043299 Scalapack redistribute (9.42897s) started
T25 << 1462763099.60558105 Scalapack redistribute (9.55412s) stopped
T25 >> 1462763099.60660100 blocked summation (904.81529s) started
T25 << 1462763100.93411899 blocked summation (906.14281s) stopped
T25 >> 1462763100.94378805 Scalapack redistribute (9.55418s) started
T25 << 1462763101.07792997 Scalapack redistribute (9.68832s) stopped
T25 >> 1462763101.08242106 Redistribute (0.80818s) started
T25 << 1462763101.08368897 Redistribute (0.80944s) stopped
T25 >> 1462763103.16722894 Redistribute (0.80946s) started
T25 << 1462763103.16881299 Redistribute (0.81105s) stopped
T25 >> 1462763103.19723392 LCAO WFS Initialize (2455.88125s) started
T25 >> 1462763103.19725990 Density initialize from wavefunctions (488.59536s) started
T25 >> 1462763103.20027995 Calculate density matrix (332.92721s) started
T25 << 1462763113.26822209 Calculate density matrix (342.99515s) stopped
T25 >> 1462763113.26827788 Construct density (54.11224s) started
T25 << 1462763114.92210603 Construct density (55.76607s) stopped
T25 >> 1462763114.93468404 Symmetrize density (0.00258s) started
T25 << 1462763114.93474698 Symmetrize density (0.00264s) stopped
T25 << 1462763118.12053204 Density initialize from wavefunctions (503.51864s) stopped
T25 >> 1462763118.12115908 Hamiltonian (1966.24471s) started
T25 >> 1462763118.12118006 vbar (0.85063s) started
T25 << 1462763118.13902903 vbar (0.86848s) stopped
T25 >> 1462763118.13916302 XC 3D grid (1020.33713s) started
T25 >> 1462763118.65138197 van der Waals (986.48104s) started
T25 >> 1462763118.78839898 semilocal (224.92246s) started
T25 << 1462763125.76036811 semilocal (231.89443s) stopped
T25 >> 1462763125.82409096 redistribute (103.84146s) started
T25 << 1462763127.06042504 redistribute (105.07780s) stopped
T25 >> 1462763127.06053710 libvdwxc nonlocal (650.81894s) started
T25 << 1462763145.92180800 libvdwxc nonlocal (669.68022s) stopped
T25 >> 1462763145.92188692 redistribute (105.07783s) started
T25 << 1462763147.81948996 redistribute (106.97543s) stopped
T25 << 1462763147.82104802 van der Waals (1015.65071s) stopped
T25 << 1462763148.30368805 XC 3D grid (1050.50165s) stopped
T25 >> 1462763148.30373597 Poisson (478.97764s) started
T25 << 1462763160.88741493 Poisson (491.56131s) stopped
T25 >> 1462763160.88751698 Hartree integrate/restrict (13.45406s) started
T25 << 1462763160.92553091 Hartree integrate/restrict (13.49207s) stopped
T25 >> 1462763160.92561793 Hartree integrate/restrict (13.49212s) started
T25 << 1462763161.28191090 Hartree integrate/restrict (13.84842s) stopped
T25 >> 1462763161.33888793 Atomic (427.40834s) started
T25 >> 1462763161.36141896 XC Correction (315.36410s) started
T25 << 1462763172.46748209 XC Correction (326.47016s) stopped
T25 << 1462763177.06011105 Atomic (443.12956s) stopped
T25 >> 1462763177.06058502 Communicate (23.12567s) started
T25 << 1462763177.06072497 Communicate (23.12581s) stopped
T25 << 1462763177.06074810 Hamiltonian (2025.18430s) stopped
T25 << 1462763177.06081200 LCAO WFS Initialize (2529.74483s) stopped
T25 << 1462763177.07338810 Initialization (4490.27959s) stopped
T25 >> 1462763177.10356808 SCF-cycle (58814.77838s) started
T25 >> 1462763177.10362196 LCAO eigensolver (21256.33939s) started
T25 >> 1462763177.10363507 Potential matrix (713.29974s) started
T25 << 1462763179.51036692 Potential matrix (715.70647s) stopped
T25 >> 1462763179.51046491 DistributedAtomicCorrection (299.70299s) started
T25 << 1462763180.54434204 DistributedAtomicCorrection (300.73686s) stopped
T25 >> 1462763180.54439211 Distribute overlap matrix (1654.42692s) started
T25 >> 1462763180.54443693 blocked summation (1618.20092s) started
T25 << 1462763186.48438501 blocked summation (1624.14087s) stopped
T25 >> 1462763186.49354911 Scalapack redistribute (33.37474s) started
T25 << 1462763186.62223291 Scalapack redistribute (33.50342s) stopped
T25 << 1462763186.62232494 Distribute overlap matrix (1660.50486s) stopped
T25 >> 1462763186.62697101 Blacs Orbital Layouts (17122.04323s) started
T25 >> 1462763186.63548708 General diagonalize (17049.15423s) started
T25 << 1462763248.77306390 General diagonalize (17111.29181s) stopped
T25 >> 1462763248.77310991 Redistribute coefs (5.83317s) started
T25 << 1462763248.78970194 Redistribute coefs (5.84976s) stopped
T25 >> 1462763248.78975105 Send coefs to domains (64.39559s) started
T25 << 1462763249.04984808 Send coefs to domains (64.65568s) stopped
T25 << 1462763249.05050397 Blacs Orbital Layouts (17184.46676s) stopped
T25 >> 1462763249.05053210 Calculate projections (1465.13051s) started
T25 << 1462763253.86601496 Calculate projections (1469.94599s) stopped
T25 << 1462763253.86641002 LCAO eigensolver (21333.10218s) stopped
T25 >> 1462763255.29222298 Density (4610.06420s) started
T25 >> 1462763255.29223800 Pseudo density (3767.65252s) started
T25 >> 1462763255.29392290 Calculate density matrix (3322.93193s) started
T25 << 1462763268.20163798 Calculate density matrix (3335.83964s) stopped
T25 >> 1462763268.20169902 Construct density (434.23129s) started
T25 << 1462763269.85080194 Construct density (435.88039s) stopped
T25 >> 1462763269.86564302 Symmetrize density (0.02099s) started
T25 << 1462763269.86570406 Symmetrize density (0.02105s) stopped
T25 << 1462763269.86806202 Pseudo density (3782.22834s) stopped
T25 >> 1462763269.86811805 Atomic density matrices (701.16607s) started
T25 << 1462763272.57068706 Atomic density matrices (703.86863s) stopped
T25 >> 1462763272.57074189 Multipole moments (2.56433s) started
T25 << 1462763272.58276296 Multipole moments (2.57635s) stopped
T25 >> 1462763272.58282399 Normalize (2.21672s) started
T25 << 1462763272.59147000 Normalize (2.22537s) stopped
T25 >> 1462763272.59153390 Mix (136.43354s) started
T25 << 1462763273.04465699 Mix (136.88667s) stopped
T25 << 1462763273.04473591 Density (4627.81671s) stopped
T25 >> 1462763273.04502797 Hamiltonian (32549.91202s) started
T25 >> 1462763273.04505610 vbar (7.35932s) started
T25 << 1462763273.07371593 vbar (7.38798s) stopped
T25 >> 1462763273.07382488 XC 3D grid (27092.10713s) started
T25 >> 1462763273.56352496 van der Waals (26827.80831s) started
T25 >> 1462763273.69588399 semilocal (18138.09300s) started
T25 << 1462763280.33666611 semilocal (18144.73378s) stopped
T25 >> 1462763280.42375803 redistribute (3565.84552s) started
T25 << 1462763281.93130803 redistribute (3567.35307s) stopped
T25 >> 1462763281.93135405 libvdwxc nonlocal (5067.58564s) started
T25 << 1462763300.96763110 libvdwxc nonlocal (5086.62191s) stopped
T25 >> 1462763300.96769094 redistribute (3567.35311s) started
T25 << 1462763302.68475008 redistribute (3569.07017s) stopped
T25 << 1462763302.68632507 van der Waals (26856.93111s) stopped
T25 << 1462763303.17027402 XC 3D grid (27122.20358s) stopped
T25 >> 1462763303.17031908 Poisson (2106.90742s) started
T25 << 1462763307.59180593 Poisson (2111.32890s) stopped
T25 >> 1462763307.59187102 Hartree integrate/restrict (103.30004s) started
T25 << 1462763307.64037204 Hartree integrate/restrict (103.34854s) stopped
T25 >> 1462763307.64044499 Hartree integrate/restrict (103.34859s) started
T25 << 1462763307.97413206 Hartree integrate/restrict (103.68228s) stopped
T25 >> 1462763308.03057790 Atomic (2839.36679s) started
T25 >> 1462763308.05185294 XC Correction (2166.84386s) started
T25 << 1462763319.03227210 XC Correction (2177.82428s) stopped
T25 << 1462763323.72893596 Atomic (2855.06515s) stopped
T25 >> 1462763323.72924304 Communicate (385.56533s) started
T25 << 1462763323.72949004 Communicate (385.56558s) stopped
T25 << 1462763323.72951198 Hamiltonian (32600.59650s) stopped
T25 >> 1462763323.72961092 LCAO eigensolver (21333.10220s) started
T25 >> 1462763323.72962594 Potential matrix (715.70653s) started
T25 << 1462763326.14078903 Potential matrix (718.11769s) stopped
T25 >> 1462763326.14088011 DistributedAtomicCorrection (300.73691s) started
T25 << 1462763327.20001197 DistributedAtomicCorrection (301.79604s) stopped
T25 >> 1462763327.20011997 Distribute overlap matrix (1660.50487s) started
T25 >> 1462763327.20014405 blocked summation (1624.14090s) started
T25 << 1462763333.08778310 blocked summation (1630.02854s) stopped
T25 >> 1462763333.09712911 Scalapack redistribute (33.50349s) started
T25 << 1462763333.19404793 Scalapack redistribute (33.60041s) stopped
T25 << 1462763333.19413495 Distribute overlap matrix (1666.49888s) stopped
T25 >> 1462763333.19951105 Blacs Orbital Layouts (17184.46678s) started
T25 >> 1462763333.20770502 General diagonalize (17111.29184s) started
T25 << 1462763392.99742293 General diagonalize (17171.08156s) stopped
T25 >> 1462763392.99747109 Redistribute coefs (5.84980s) started
T25 << 1462763393.01361799 Redistribute coefs (5.86595s) stopped
T25 >> 1462763393.01366305 Send coefs to domains (64.65573s) started
T25 << 1462763393.10572910 Send coefs to domains (64.74779s) stopped
T25 << 1462763393.10630703 Blacs Orbital Layouts (17244.37358s) stopped
T25 >> 1462763393.10633492 Calculate projections (1469.94605s) started
T25 << 1462763397.92958808 Calculate projections (1474.76930s) stopped
T25 << 1462763397.92994308 LCAO eigensolver (21407.30253s) stopped
T25 >> 1462763399.35691190 Density (4627.81673s) started
T25 >> 1462763399.35692596 Pseudo density (3782.22839s) started
T25 >> 1462763399.35887289 Calculate density matrix (3335.83968s) started
T25 << 1462763412.16179299 Calculate density matrix (3348.64260s) stopped
T25 >> 1462763412.16184902 Construct density (435.88045s) started
T25 << 1462763413.82293606 Construct density (437.54153s) stopped
T25 >> 1462763413.83751512 Symmetrize density (0.02107s) started
T25 << 1462763413.83760595 Symmetrize density (0.02116s) stopped
T25 << 1462763413.83995509 Pseudo density (3796.71141s) stopped
T25 >> 1462763413.84001088 Atomic density matrices (703.86866s) started
T25 << 1462763416.55434704 Atomic density matrices (706.58300s) stopped
T25 >> 1462763416.55440092 Multipole moments (2.57636s) started
T25 << 1462763416.56472993 Multipole moments (2.58669s) stopped
T25 >> 1462763416.56479096 Normalize (2.22541s) started
T25 << 1462763416.57605290 Normalize (2.23668s) stopped
T25 >> 1462763416.57616806 Mix (136.88674s) started
T25 << 1462763417.06325293 Mix (137.37383s) stopped
T25 << 1462763417.06335211 Density (4645.52317s) stopped
T25 >> 1462763417.06371689 Hamiltonian (32600.59651s) started
T25 >> 1462763417.06373596 vbar (7.38804s) started
T25 << 1462763417.09158707 vbar (7.41589s) stopped
T25 >> 1462763417.09170389 XC 3D grid (27122.20361s) started
T25 >> 1462763417.58621812 van der Waals (26856.93117s) started
T25 >> 1462763417.71803594 semilocal (18144.73391s) started
T25 << 1462763424.25058889 semilocal (18151.26647s) stopped
T25 >> 1462763424.33084202 redistribute (3569.07025s) started
T25 << 1462763425.77193594 redistribute (3570.51134s) stopped
T25 >> 1462763425.77198005 libvdwxc nonlocal (5086.62196s) started
T25 << 1462763445.38736200 libvdwxc nonlocal (5106.23734s) stopped
T25 >> 1462763445.38742709 redistribute (3570.51137s) started
T25 << 1462763447.06874800 redistribute (3572.19269s) stopped
T25 << 1462763447.07062006 van der Waals (26886.41557s) stopped
T25 << 1462763447.55532789 XC 3D grid (27152.66724s) stopped
T25 >> 1462763447.55537391 Poisson (2111.32895s) started
T25 << 1462763452.07033396 Poisson (2115.84391s) stopped
T25 >> 1462763452.07041311 Hartree integrate/restrict (103.68231s) started
T25 << 1462763452.13505101 Hartree integrate/restrict (103.74695s) stopped
T25 >> 1462763452.13509989 Hartree integrate/restrict (103.74698s) started
T25 << 1462763452.45385790 Hartree integrate/restrict (104.06574s) stopped
T25 >> 1462763452.50903893 Atomic (2855.06517s) started
T25 >> 1462763452.53007889 XC Correction (2177.82431s) started
T25 << 1462763463.07919788 XC Correction (2188.37343s) stopped
T25 << 1462763467.81312895 Atomic (2870.36926s) stopped
T25 >> 1462763467.81346607 Communicate (385.56559s) started
T25 << 1462763467.81357503 Communicate (385.56570s) stopped
T25 << 1462763467.81359792 Hamiltonian (32651.34640s) stopped
T25 >> 1462763467.81370211 LCAO eigensolver (21407.30255s) started
T25 >> 1462763467.81371808 Potential matrix (718.11774s) started
T25 << 1462763470.23775101 Potential matrix (720.54178s) stopped
T25 >> 1462763470.23783493 DistributedAtomicCorrection (301.79608s) started
T25 << 1462763471.30472112 DistributedAtomicCorrection (302.86296s) stopped
T25 >> 1462763471.30482602 Distribute overlap matrix (1666.49890s) started
T25 >> 1462763471.30485010 blocked summation (1630.02858s) started
T25 << 1462763477.22182488 blocked summation (1635.94555s) stopped
T25 >> 1462763477.23146200 Scalapack redistribute (33.60046s) started
T25 << 1462763477.37130904 Scalapack redistribute (33.74031s) stopped
T25 << 1462763477.37139606 Distribute overlap matrix (1672.56547s) stopped
T25 >> 1462763477.37942410 Blacs Orbital Layouts (17244.37360s) started
T25 >> 1462763477.38889289 General diagonalize (17171.08160s) started
T25 << 1462763535.17866802 General diagonalize (17228.87138s) stopped
T25 >> 1462763535.17871690 Redistribute coefs (5.86599s) started
T25 << 1462763535.20433807 Redistribute coefs (5.89161s) stopped
T25 >> 1462763535.20437598 Send coefs to domains (64.74783s) started
T25 << 1462763535.47744703 Send coefs to domains (65.02090s) stopped
T25 << 1462763535.47800303 Blacs Orbital Layouts (17302.47218s) stopped
T25 >> 1462763535.47803092 Calculate projections (1474.76935s) started
T25 << 1462763540.32898211 Calculate projections (1479.62030s) stopped
T25 << 1462763540.32939410 LCAO eigensolver (21479.81824s) stopped
T25 >> 1462763541.72641492 Density (4645.52318s) started
T25 >> 1462763541.72642994 Pseudo density (3796.71146s) started
T25 >> 1462763541.72770095 Calculate density matrix (3348.64264s) started
T25 << 1462763554.48011088 Calculate density matrix (3361.39505s) stopped
T25 >> 1462763554.48016810 Construct density (437.54158s) started
T25 << 1462763556.12874889 Construct density (439.19016s) stopped
T25 >> 1462763556.14164805 Symmetrize density (0.02117s) started
T25 << 1462763556.14171100 Symmetrize density (0.02124s) stopped
T25 << 1462763556.14378905 Pseudo density (3811.12882s) stopped
T25 >> 1462763556.14384890 Atomic density matrices (706.58302s) started
T25 << 1462763558.87022400 Atomic density matrices (709.30940s) stopped
T25 >> 1462763558.87027788 Multipole moments (2.58671s) started
T25 << 1462763558.88230491 Multipole moments (2.59874s) stopped
T25 >> 1462763558.88236594 Normalize (2.23676s) started
T25 << 1462763558.88962102 Normalize (2.24402s) stopped
T25 >> 1462763558.88967490 Mix (137.37392s) started
T25 << 1462763559.36824894 Mix (137.85250s) stopped
T25 << 1462763559.36832404 Density (4663.16509s) stopped
T25 >> 1462763559.36859894 Hamiltonian (32651.34641s) started
T25 >> 1462763559.36861706 vbar (7.41595s) started
T25 << 1462763559.39733291 vbar (7.44467s) stopped
T25 >> 1462763559.39743805 XC 3D grid (27152.66727s) started
T25 >> 1462763559.88679790 van der Waals (26886.41566s) started
T25 >> 1462763560.01982403 semilocal (18151.26659s) started
T25 << 1462763566.90394592 semilocal (18158.15071s) stopped
T25 >> 1462763566.96496201 redistribute (3572.19277s) started
T25 << 1462763567.91441989 redistribute (3573.14223s) stopped
T25 >> 1462763567.91446495 libvdwxc nonlocal (5106.23739s) started
T25 << 1462763586.69902492 libvdwxc nonlocal (5125.02195s) stopped
T25 >> 1462763586.69909596 redistribute (3573.14226s) started
T25 << 1462763588.56892300 redistribute (3575.01209s) stopped
T25 << 1462763588.57047391 van der Waals (26915.09933s) stopped
T25 << 1462763589.05367899 XC 3D grid (27182.32352s) stopped
T25 >> 1462763589.05373406 Poisson (2115.84397s) started
T25 << 1462763593.51237297 Poisson (2120.30261s) stopped
T25 >> 1462763593.51243591 Hartree integrate/restrict (104.06579s) started
T25 << 1462763593.57935596 Hartree integrate/restrict (104.13271s) stopped
T25 >> 1462763593.57940698 Hartree integrate/restrict (104.13275s) started
T25 << 1462763593.89470100 Hartree integrate/restrict (104.44804s) stopped
T25 >> 1462763593.95025206 Atomic (2870.36929s) started
T25 >> 1462763593.97132206 XC Correction (2188.37345s) started
T25 << 1462763604.35748291 XC Correction (2198.75962s) stopped
T25 << 1462763608.62488604 Atomic (2885.04392s) stopped
T25 >> 1462763608.62518406 Communicate (385.56572s) started
T25 << 1462763608.62557101 Communicate (385.56610s) stopped
T25 << 1462763608.62559295 Hamiltonian (32700.60340s) stopped
T25 >> 1462763608.62569189 LCAO eigensolver (21479.81826s) started
T25 >> 1462763608.62570691 Potential matrix (720.54182s) started
T25 << 1462763611.04768395 Potential matrix (722.96380s) stopped
T25 >> 1462763611.04777288 DistributedAtomicCorrection (302.86300s) started
T25 << 1462763612.10398889 DistributedAtomicCorrection (303.91922s) stopped
T25 >> 1462763612.10409689 Distribute overlap matrix (1672.56548s) started
T25 >> 1462763612.10412192 blocked summation (1635.94559s) started
T25 << 1462763618.01225305 blocked summation (1641.85372s) stopped
T25 >> 1462763618.02157402 Scalapack redistribute (33.74035s) started
T25 << 1462763618.11660600 Scalapack redistribute (33.83538s) stopped
T25 << 1462763618.11669111 Distribute overlap matrix (1678.57808s) stopped
T25 >> 1462763618.12165904 Blacs Orbital Layouts (17302.47219s) started
T25 >> 1462763618.12942505 General diagonalize (17228.87141s) started
T25 << 1462763675.72602296 General diagonalize (17286.46801s) stopped
T25 >> 1462763675.72607303 Redistribute coefs (5.89164s) started
T25 << 1462763675.74270511 Redistribute coefs (5.90827s) stopped
T25 >> 1462763675.74274802 Send coefs to domains (65.02094s) started
T25 << 1462763675.88293600 Send coefs to domains (65.16112s) stopped
T25 << 1462763675.88352704 Blacs Orbital Layouts (17360.23406s) stopped
T25 >> 1462763675.88355708 Calculate projections (1479.62036s) started
T25 << 1462763680.73775196 Calculate projections (1484.47456s) stopped
T25 << 1462763680.73817110 LCAO eigensolver (21551.93074s) stopped
T25 >> 1462763682.45056796 Density (4663.16511s) started
T25 >> 1462763682.45058298 Pseudo density (3811.12887s) started
T25 >> 1462763682.45192289 Calculate density matrix (3361.39509s) started
T25 << 1462763695.06696010 Calculate density matrix (3374.01013s) stopped
T25 >> 1462763695.06702209 Construct density (439.19022s) started
T25 << 1462763696.72114992 Construct density (440.84435s) stopped
T25 >> 1462763696.73384809 Symmetrize density (0.02126s) started
T25 << 1462763696.73391199 Symmetrize density (0.02132s) stopped
T25 << 1462763696.73599195 Pseudo density (3825.41428s) stopped
T25 >> 1462763696.73605204 Atomic density matrices (709.30942s) started
T25 << 1462763699.46061110 Atomic density matrices (712.03398s) stopped
T25 >> 1462763699.46066594 Multipole moments (2.59875s) started
T25 << 1462763699.47242403 Multipole moments (2.61051s) stopped
T25 >> 1462763699.47248602 Normalize (2.24406s) started
T25 << 1462763699.47995591 Normalize (2.25153s) stopped
T25 >> 1462763699.48001695 Mix (137.85257s) started
T25 << 1462763699.99962211 Mix (138.37218s) stopped
T25 << 1462763699.99968910 Density (4680.71423s) stopped
T25 >> 1462763699.99994493 Hamiltonian (32700.60342s) started
T25 >> 1462763699.99996400 vbar (7.44473s) started
T25 << 1462763700.03449011 vbar (7.47925s) stopped
T25 >> 1462763700.03462291 XC 3D grid (27182.32356s) started
T25 >> 1462763700.53090906 van der Waals (26915.09939s) started
T25 >> 1462763700.66140199 semilocal (18158.15078s) started
T25 << 1462763740.81923890 semilocal (18198.30862s) stopped
T25 >> 1462763740.87475300 redistribute (3575.01222s) started
T25 << 1462763755.14074802 redistribute (3589.27821s) stopped
T25 >> 1462763755.14079094 libvdwxc nonlocal (5125.02200s) started
T25 << 1462763774.30184388 libvdwxc nonlocal (5144.18306s) stopped
T25 >> 1462763774.30191588 redistribute (3589.27825s) started
T25 << 1462763776.48660588 redistribute (3591.46294s) stopped
T25 << 1462763776.48808694 van der Waals (26991.05657s) stopped
T25 << 1462763776.97016597 XC 3D grid (27259.25910s) stopped
T25 >> 1462763776.97020698 Poisson (2120.30266s) started
T25 << 1462763781.43555808 Poisson (2124.76801s) stopped
T25 >> 1462763781.43566489 Hartree integrate/restrict (104.44809s) started
T25 << 1462763781.46961999 Hartree integrate/restrict (104.48205s) stopped
T25 >> 1462763781.46976209 Hartree integrate/restrict (104.48215s) started
T25 << 1462763781.83962798 Hartree integrate/restrict (104.85201s) stopped
T25 >> 1462763781.90470099 Atomic (2885.04394s) started
T25 >> 1462763781.92599010 XC Correction (2198.75964s) started
T25 << 1462763792.35481000 XC Correction (2209.18846s) stopped
T25 << 1462763796.27205896 Atomic (2899.41130s) stopped
T25 >> 1462763796.27230692 Communicate (385.56612s) started
T25 << 1462763796.48835707 Communicate (385.78217s) stopped
T25 << 1462763796.48838305 Hamiltonian (32797.09185s) stopped
T25 >> 1462763796.48848200 LCAO eigensolver (21551.93076s) started
T25 >> 1462763796.48849607 Potential matrix (722.96385s) started
T25 << 1462763798.90457010 Potential matrix (725.37993s) stopped
T25 >> 1462763798.90466309 DistributedAtomicCorrection (303.91925s) started
T25 << 1462763799.98612094 DistributedAtomicCorrection (305.00071s) stopped
T25 >> 1462763799.98622108 Distribute overlap matrix (1678.57809s) started
T25 >> 1462763799.98624396 blocked summation (1641.85375s) started
T25 << 1462763805.96400189 blocked summation (1647.83151s) stopped
T25 >> 1462763805.97341704 Scalapack redistribute (33.83544s) started
T25 << 1462763806.07964706 Scalapack redistribute (33.94167s) stopped
T25 << 1462763806.07975101 Distribute overlap matrix (1684.67162s) stopped
T25 >> 1462763806.08519602 Blacs Orbital Layouts (17360.23408s) started
T25 >> 1462763806.09336495 General diagonalize (17286.46805s) started
T25 << 1462763864.01239109 General diagonalize (17344.38708s) stopped
T25 >> 1462763864.01244211 Redistribute coefs (5.90830s) started
T25 << 1462763864.02879310 Redistribute coefs (5.92465s) stopped
T25 >> 1462763864.02883506 Send coefs to domains (65.16116s) started
T25 << 1462763864.19518900 Send coefs to domains (65.32752s) stopped
T25 << 1462763864.19576311 Blacs Orbital Layouts (17418.34465s) stopped
T25 >> 1462763864.19579101 Calculate projections (1484.47461s) started
T25 << 1462763869.04986596 Calculate projections (1489.32869s) stopped
T25 << 1462763869.05028796 LCAO eigensolver (21624.49256s) stopped
T25 << 1462763870.49315190 SCF-cycle (59508.16796s) stopped
T25 >> 1462763873.19837499 Force calculation (2961.41614s) started
T25 >> 1462763873.19845390 LCAO forces (2656.72335s) started
T25 >> 1462763873.19883490 Initial (0.00076s) started
T25 << 1462763873.19884610 Initial (0.00077s) stopped
T25 >> 1462763873.20512509 Get density matrix (1240.30373s) started
T25 << 1462763882.54119205 Get density matrix (1249.63980s) stopped
T25 >> 1462763882.54123592 Potential (422.33636s) started
T25 << 1462763895.08649492 Potential (434.88162s) stopped
T25 >> 1462763895.08655405 Get density matrix (1249.63983s) started
T25 << 1462763922.66290092 Get density matrix (1277.21618s) stopped
T25 >> 1462763922.66297102 Prepare TCI loop (83.69245s) started
T25 >> 1462763922.66366601 Get neighbors (75.55382s) started
T25 << 1462763924.94809508 Get neighbors (77.83825s) stopped
T25 >> 1462763924.94861293 broadcast dH (8.09364s) started
T25 << 1462763925.21605706 broadcast dH (8.36109s) stopped
T25 << 1462763925.21610689 Prepare TCI loop (86.24558s) stopped
T25 >> 1462763925.21612692 Not so complicated loop (356.38811s) started
T25 << 1462763935.88515496 Not so complicated loop (367.05713s) stopped
T25 >> 1462763936.00325704 Complicated loop (549.59314s) started
T25 << 1462763952.31011295 Complicated loop (565.89999s) stopped
T25 >> 1462763952.31378388 Wait for sum (0.00367s) started
T25 << 1462763952.31386995 Wait for sum (0.00376s) stopped
T25 << 1462763952.31388402 LCAO forces (2735.83878s) stopped
T25 << 1462763961.59766006 Force calculation (3049.81542s) stopped
T25 >> 1462763961.61929703 Initialization (4490.27961s) started
T25 << 1462763961.61952591 Initialization (4490.27984s) stopped
T25 >> 1462763961.61979699 Initialization (4490.27986s) started
T25 << 1462763961.61994791 Initialization (4490.28001s) stopped
T25 >> 1462763961.62010193 Initialization (4490.28003s) started
T25 << 1462763961.62025189 Initialization (4490.28018s) stopped
T25 >> 1462763984.93781304 Initialization (4490.28020s) started
T25 >> 1462763985.17606091 Basic WFS set positions (4.76726s) started
T25 >> 1462763985.17608500 Redistribute (0.28530s) started
T25 << 1462763985.17622709 Redistribute (0.28544s) stopped
T25 << 1462763985.33669901 Basic WFS set positions (4.92790s) stopped
T25 >> 1462763985.33673191 Basis functions set positions (71.71961s) started
T25 << 1462763987.49886203 Basis functions set positions (73.88174s) stopped
T25 >> 1462763987.50438595 TCI: Calculate S, T, P (881.60224s) started
T25 << 1462764015.15358806 TCI: Calculate S, T, P (909.25144s) stopped
T25 >> 1462764015.15370011 blocked summation (906.14289s) started
T25 << 1462764047.10637498 blocked summation (938.09557s) stopped
T25 >> 1462764047.12016702 Scalapack redistribute (9.68838s) started
T25 << 1462764047.26269507 Scalapack redistribute (9.83090s) stopped
T25 >> 1462764047.26380706 blocked summation (938.09560s) started
T25 << 1462764048.52554107 blocked summation (939.35734s) stopped
T25 >> 1462764048.53511190 Scalapack redistribute (9.83098s) started
T25 << 1462764048.71302104 Scalapack redistribute (10.00889s) stopped
T25 >> 1462764048.71655011 Redistribute (0.81111s) started
T25 << 1462764048.71784902 Redistribute (0.81241s) stopped
T25 >> 1462764050.77057505 Redistribute (0.81244s) started
T25 << 1462764050.77208996 Redistribute (0.81395s) stopped
T25 >> 1462764050.80073190 LCAO WFS Initialize (2529.74485s) started
T25 >> 1462764050.80076599 Density initialize from wavefunctions (503.51867s) started
T25 >> 1462764050.80431509 Calculate density matrix (342.99519s) started
T25 << 1462764060.82259393 Calculate density matrix (353.01347s) stopped
T25 >> 1462764060.82265091 Construct density (55.76613s) started
T25 << 1462764062.47733212 Construct density (57.42081s) stopped
T25 >> 1462764062.49149394 Symmetrize density (0.00266s) started
T25 << 1462764062.49155807 Symmetrize density (0.00272s) stopped
T25 << 1462764065.59241891 Density initialize from wavefunctions (518.31032s) stopped
T25 >> 1462764065.59307003 Hamiltonian (2025.18431s) started
T25 >> 1462764065.59309793 vbar (0.86857s) started
T25 << 1462764065.61348510 vbar (0.88895s) stopped
T25 >> 1462764065.61359501 XC 3D grid (1050.50169s) started
T25 >> 1462764066.11515307 van der Waals (1015.65075s) started
T25 >> 1462764066.25084209 semilocal (231.89450s) started
T25 << 1462764073.40818810 semilocal (239.05184s) stopped
T25 >> 1462764073.47230506 redistribute (106.97550s) started
T25 << 1462764074.38356495 redistribute (107.88675s) stopped
T25 >> 1462764074.38367701 libvdwxc nonlocal (669.68027s) started
T25 << 1462764093.12923598 libvdwxc nonlocal (688.42583s) stopped
T25 >> 1462764093.12930107 redistribute (107.88679s) started
T25 << 1462764095.01524401 redistribute (109.77273s) stopped
T25 << 1462764095.01696301 van der Waals (1044.55256s) stopped
T25 << 1462764095.49490190 XC 3D grid (1080.38299s) stopped
T25 >> 1462764095.49494290 Poisson (491.56139s) started
T25 << 1462764106.99074697 Poisson (503.05720s) stopped
T25 >> 1462764106.99085498 Hartree integrate/restrict (13.84845s) started
T25 << 1462764107.03247499 Hartree integrate/restrict (13.89007s) stopped
T25 >> 1462764107.03257203 Hartree integrate/restrict (13.89013s) started
T25 << 1462764107.38522410 Hartree integrate/restrict (14.24278s) stopped
T25 >> 1462764107.44381595 Atomic (443.12959s) started
T25 >> 1462764107.46487999 XC Correction (326.47019s) started
T25 << 1462764118.84242296 XC Correction (337.84773s) stopped
T25 << 1462764123.48755407 Atomic (459.17332s) stopped
T25 >> 1462764123.48802710 Communicate (23.12582s) started
T25 << 1462764123.48817897 Communicate (23.12598s) stopped
T25 << 1462764123.48820210 Hamiltonian (2083.07945s) stopped
T25 << 1462764123.48826694 LCAO WFS Initialize (2602.43238s) stopped
T25 << 1462764123.50081301 Initialization (4628.84320s) stopped
T25 >> 1462764123.53057909 SCF-cycle (59508.16798s) started
T25 >> 1462764123.53063297 LCAO eigensolver (21624.49258s) started
T25 >> 1462764123.53064609 Potential matrix (725.37998s) started
T25 << 1462764125.94857907 Potential matrix (727.79791s) stopped
T25 >> 1462764125.94867611 DistributedAtomicCorrection (305.00075s) started
T25 << 1462764126.99283409 DistributedAtomicCorrection (306.04490s) stopped
T25 >> 1462764126.99293303 Distribute overlap matrix (1684.67163s) started
T25 >> 1462764126.99295807 blocked summation (1647.83155s) started
T25 << 1462764132.83979893 blocked summation (1653.67839s) stopped
T25 >> 1462764132.84913492 Scalapack redistribute (33.94173s) started
T25 << 1462764132.95235991 Scalapack redistribute (34.04495s) stopped
T25 << 1462764132.95241404 Distribute overlap matrix (1690.63111s) stopped
T25 >> 1462764132.95786190 Blacs Orbital Layouts (17418.34467s) started
T25 >> 1462764132.96592689 General diagonalize (17344.38712s) started
T25 << 1462764193.13312888 General diagonalize (17404.55432s) stopped
T25 >> 1462764193.13317394 Redistribute coefs (5.92468s) started
T25 << 1462764193.15191698 Redistribute coefs (5.94343s) stopped
T25 >> 1462764193.15196300 Send coefs to domains (65.32755s) started
T25 << 1462764193.28678703 Send coefs to domains (65.46238s) stopped
T25 << 1462764193.28756094 Blacs Orbital Layouts (17478.67437s) stopped
T25 >> 1462764193.28759003 Calculate projections (1489.32875s) started
T25 << 1462764198.12091398 Calculate projections (1494.16207s) stopped
T25 << 1462764198.12131405 LCAO eigensolver (21699.08326s) stopped
T25 >> 1462764199.78020310 Density (4680.71424s) started
T25 >> 1462764199.78021789 Pseudo density (3825.41432s) started
T25 >> 1462764199.78267407 Calculate density matrix (3374.01017s) started
T25 << 1462764212.43538094 Calculate density matrix (3386.66287s) stopped
T25 >> 1462764212.43543911 Construct density (440.84441s) started
T25 << 1462764214.09967995 Construct density (442.50865s) stopped
T25 >> 1462764214.11404610 Symmetrize density (0.02134s) started
T25 << 1462764214.11410594 Symmetrize density (0.02140s) stopped
T25 << 1462764214.11649299 Pseudo density (3839.75060s) stopped
T25 >> 1462764214.11654806 Atomic density matrices (712.03401s) started
T25 << 1462764216.81987906 Atomic density matrices (714.73734s) stopped
T25 >> 1462764216.81993198 Multipole moments (2.61053s) started
T25 << 1462764216.83023906 Multipole moments (2.62084s) stopped
T25 >> 1462764216.83030009 Normalize (2.25157s) started
T25 << 1462764216.84270096 Normalize (2.26397s) stopped
T25 >> 1462764216.84275889 Mix (138.37224s) started
T25 << 1462764217.31628203 Mix (138.84576s) stopped
T25 << 1462764217.31638193 Density (4698.25042s) stopped
T25 >> 1462764217.31653690 Hamiltonian (32797.09187s) started
T25 >> 1462764217.31655407 vbar (7.47932s) started
T25 << 1462764217.34394908 vbar (7.50672s) stopped
T25 >> 1462764217.34407306 XC 3D grid (27259.25914s) started
T25 >> 1462764217.83573604 van der Waals (26991.05667s) started
T25 >> 1462764217.96946192 semilocal (18198.30869s) started
T25 << 1462764224.62375212 semilocal (18204.96298s) stopped
T25 >> 1462764224.70242596 redistribute (3591.46301s) started
T25 << 1462764226.02374411 redistribute (3592.78432s) stopped
T25 >> 1462764226.02378607 libvdwxc nonlocal (5144.18311s) started
T25 << 1462764244.86908603 libvdwxc nonlocal (5163.02841s) stopped
T25 >> 1462764244.86914706 redistribute (3592.78436s) started
T25 << 1462764246.65144897 redistribute (3594.56666s) stopped
T25 << 1462764246.65329289 van der Waals (27019.87423s) stopped
T25 << 1462764247.13552690 XC 3D grid (27289.05059s) stopped
T25 >> 1462764247.13557100 Poisson (2124.76809s) started
T25 << 1462764252.89639091 Poisson (2130.52891s) stopped
T25 >> 1462764252.89645791 Hartree integrate/restrict (104.85205s) started
T25 << 1462764252.94564009 Hartree integrate/restrict (104.90123s) stopped
T25 >> 1462764252.94569397 Hartree integrate/restrict (104.90126s) started
T25 << 1462764253.27449799 Hartree integrate/restrict (105.23007s) stopped
T25 >> 1462764253.32991195 Atomic (2899.41132s) started
T25 >> 1462764253.35006595 XC Correction (2209.18848s) started
T25 << 1462764264.41049504 XC Correction (2220.24891s) stopped
T25 << 1462764269.36339808 Atomic (2915.44481s) stopped
T25 >> 1462764269.36373210 Communicate (385.78218s) started
T25 << 1462764269.36384010 Communicate (385.78229s) stopped
T25 << 1462764269.36386299 Hamiltonian (32849.13919s) stopped
T25 >> 1462764269.36396194 LCAO eigensolver (21699.08328s) started
T25 >> 1462764269.36397696 Potential matrix (727.79797s) started
T25 << 1462764271.78361893 Potential matrix (730.21761s) stopped
T25 >> 1462764271.78370595 DistributedAtomicCorrection (306.04494s) started
T25 << 1462764272.82820201 DistributedAtomicCorrection (307.08944s) stopped
T25 >> 1462764272.82829595 Distribute overlap matrix (1690.63113s) started
T25 >> 1462764272.82832003 blocked summation (1653.67842s) started
T25 << 1462764278.78914189 blocked summation (1659.63924s) stopped
T25 >> 1462764278.79868388 Scalapack redistribute (34.04499s) started
T25 << 1462764278.89711690 Scalapack redistribute (34.14342s) stopped
T25 << 1462764278.89720702 Distribute overlap matrix (1696.70004s) stopped
T25 >> 1462764278.90184999 Blacs Orbital Layouts (17478.67438s) started
T25 >> 1462764278.91048193 General diagonalize (17404.55435s) started
T25 << 1462764338.11170912 General diagonalize (17463.75558s) stopped
T25 >> 1462764338.11175489 Redistribute coefs (5.94346s) started
T25 << 1462764338.13914299 Redistribute coefs (5.97085s) stopped
T25 >> 1462764338.13918304 Send coefs to domains (65.46241s) started
T25 << 1462764338.22724390 Send coefs to domains (65.55047s) stopped
T25 << 1462764338.22781992 Blacs Orbital Layouts (17538.00035s) stopped
T25 >> 1462764338.22784805 Calculate projections (1494.16212s) started
T25 << 1462764343.07958007 Calculate projections (1499.01385s) stopped
T25 << 1462764343.08003998 LCAO eigensolver (21772.79936s) stopped
T25 >> 1462764344.52293301 Density (4698.25044s) started
T25 >> 1462764344.52294803 Pseudo density (3839.75064s) started
T25 >> 1462764344.52445698 Calculate density matrix (3386.66291s) started
T25 << 1462764357.22068906 Calculate density matrix (3399.35915s) stopped
T25 >> 1462764357.22074509 Construct density (442.50870s) started
T25 << 1462764358.87352490 Construct density (444.16148s) stopped
T25 >> 1462764358.90827107 Symmetrize density (0.02142s) started
T25 << 1462764358.90833306 Symmetrize density (0.02148s) stopped
T25 << 1462764358.91040111 Pseudo density (3854.13810s) stopped
T25 >> 1462764358.91045904 Atomic density matrices (714.73737s) started
T25 << 1462764361.59509611 Atomic density matrices (717.42200s) stopped
T25 >> 1462764361.59514999 Multipole moments (2.62085s) started
T25 << 1462764361.60558796 Multipole moments (2.63129s) stopped
T25 >> 1462764361.60564995 Normalize (2.26402s) started
T25 << 1462764361.61294794 Normalize (2.27132s) stopped
T25 >> 1462764361.61299205 Mix (138.84586s) started
T25 << 1462764362.14340091 Mix (139.37627s) stopped
T25 << 1462764362.14346290 Density (4715.87097s) stopped
T25 >> 1462764362.14356399 Hamiltonian (32849.13920s) started
T25 >> 1462764362.14357996 vbar (7.50678s) started
T25 << 1462764362.16443992 vbar (7.52764s) stopped
T25 >> 1462764362.16455102 XC 3D grid (27289.05062s) started
T25 >> 1462764362.64216995 van der Waals (27019.87427s) started
T25 >> 1462764362.77683401 semilocal (18204.96302s) started
T25 << 1462764369.49842000 semilocal (18211.68461s) stopped
T25 >> 1462764369.62724400 redistribute (3594.56672s) started
T25 << 1462764370.76857591 redistribute (3595.70805s) stopped
T25 >> 1462764370.76862001 libvdwxc nonlocal (5163.02846s) started
T25 << 1462764389.58842301 libvdwxc nonlocal (5181.84826s) stopped
T25 >> 1462764389.58848500 redistribute (3595.70808s) started
T25 << 1462764391.56978607 redistribute (3597.68938s) stopped
T25 << 1462764391.57145500 van der Waals (27048.80355s) stopped
T25 << 1462764392.05626893 XC 3D grid (27318.94234s) stopped
T25 >> 1462764392.05631208 Poisson (2130.52896s) started
T25 << 1462764397.89815903 Poisson (2136.37081s) stopped
T25 >> 1462764397.89825392 Hartree integrate/restrict (105.23012s) started
T25 << 1462764397.93747902 Hartree integrate/restrict (105.26935s) stopped
T25 >> 1462764397.93754911 Hartree integrate/restrict (105.26939s) started
T25 << 1462764398.28426790 Hartree integrate/restrict (105.61611s) stopped
T25 >> 1462764398.34247303 Atomic (2915.44483s) started
T25 >> 1462764398.36281896 XC Correction (2220.24894s) started
T25 << 1462764409.02448797 XC Correction (2230.91061s) stopped
T25 << 1462764413.99802089 Atomic (2931.10038s) stopped
T25 >> 1462764413.99836612 Communicate (385.78231s) started
T25 << 1462764413.99847603 Communicate (385.78242s) stopped
T25 << 1462764413.99850011 Hamiltonian (32900.99414s) stopped
T25 >> 1462764413.99860311 LCAO eigensolver (21772.79937s) started
T25 >> 1462764413.99861908 Potential matrix (730.21766s) started
T25 << 1462764416.40171599 Potential matrix (732.62076s) stopped
T25 >> 1462764416.40181303 DistributedAtomicCorrection (307.08948s) started
T25 << 1462764417.42257404 DistributedAtomicCorrection (308.11024s) stopped
T25 >> 1462764417.42267108 Distribute overlap matrix (1696.70005s) started
T25 >> 1462764417.42269611 blocked summation (1659.63928s) started
T25 << 1462764423.36363196 blocked summation (1665.58021s) stopped
T25 >> 1462764423.37283492 Scalapack redistribute (34.14348s) started
T25 << 1462764423.50752497 Scalapack redistribute (34.27817s) stopped
T25 << 1462764423.50765991 Distribute overlap matrix (1702.78504s) stopped
T25 >> 1462764423.51215100 Blacs Orbital Layouts (17538.00037s) started
T25 >> 1462764423.52031493 General diagonalize (17463.75562s) started
T25 << 1462764484.33437800 General diagonalize (17524.56968s) stopped
T25 >> 1462764484.33442903 Redistribute coefs (5.97088s) started
T25 << 1462764484.35146403 Redistribute coefs (5.98792s) stopped
T25 >> 1462764484.35151100 Send coefs to domains (65.55051s) started
T25 << 1462764484.45873094 Send coefs to domains (65.65773s) stopped
T25 << 1462764484.45945597 Blacs Orbital Layouts (17598.94768s) stopped
T25 >> 1462764484.45948410 Calculate projections (1499.01394s) started
T25 << 1462764489.28616309 Calculate projections (1503.84062s) stopped
T25 << 1462764489.28655696 LCAO eigensolver (21848.08733s) stopped
T25 >> 1462764490.71028209 Density (4715.87098s) started
T25 >> 1462764490.71029711 Pseudo density (3854.13814s) started
T25 >> 1462764490.71214199 Calculate density matrix (3399.35918s) started
T25 << 1462764503.47778511 Calculate density matrix (3412.12482s) stopped
T25 >> 1462764503.47784305 Construct density (444.16153s) started
T25 << 1462764505.12923789 Construct density (445.81293s) stopped
T25 >> 1462764505.14276290 Symmetrize density (0.02149s) started
T25 << 1462764505.14282107 Symmetrize density (0.02155s) stopped
T25 << 1462764505.14519095 Pseudo density (3868.57304s) stopped
T25 >> 1462764505.14524508 Atomic density matrices (717.42203s) started
T25 << 1462764507.85655093 Atomic density matrices (720.13333s) stopped
T25 >> 1462764507.85660410 Multipole moments (2.63131s) started
T25 << 1462764507.87052798 Multipole moments (2.64523s) stopped
T25 >> 1462764507.87058711 Normalize (2.27135s) started
T25 << 1462764507.88171411 Normalize (2.28247s) stopped
T25 >> 1462764507.88179898 Mix (139.37633s) started
T25 << 1462764508.42147803 Mix (139.91600s) stopped
T25 << 1462764508.42156911 Density (4733.58227s) stopped
T25 >> 1462764508.42170405 Hamiltonian (32900.99415s) started
T25 >> 1462764508.42172194 vbar (7.52770s) started
T25 << 1462764508.44667006 vbar (7.55265s) stopped
T25 >> 1462764508.44677496 XC 3D grid (27318.94237s) started
T25 >> 1462764508.94507289 van der Waals (27048.80364s) started
T25 >> 1462764509.07742906 semilocal (18211.68470s) started
T25 << 1462764535.88841200 semilocal (18238.49568s) stopped
T25 >> 1462764535.94574809 redistribute (3597.68948s) started
T25 << 1462764537.56842804 redistribute (3599.31216s) stopped
T25 >> 1462764537.56854010 libvdwxc nonlocal (5181.84831s) started
T25 << 1462764556.56204510 libvdwxc nonlocal (5200.84181s) stopped
T25 >> 1462764556.56210804 redistribute (3599.31220s) started
T25 << 1462764558.26311994 redistribute (3601.01321s) stopped
T25 << 1462764558.26569104 van der Waals (27098.12426s) stopped
T25 << 1462764558.76032400 XC 3D grid (27369.25592s) stopped
T25 >> 1462764558.76036906 Poisson (2136.37088s) started
T25 << 1462764564.60091496 Poisson (2142.21142s) stopped
T25 >> 1462764564.60104489 Hartree integrate/restrict (105.61616s) started
T25 << 1462764564.64951110 Hartree integrate/restrict (105.66463s) stopped
T25 >> 1462764564.64958906 Hartree integrate/restrict (105.66468s) started
T25 << 1462764564.98845196 Hartree integrate/restrict (106.00355s) stopped
T25 >> 1462764565.04798102 Atomic (2931.10040s) started
T25 >> 1462764565.06807995 XC Correction (2230.91064s) started
T25 << 1462764575.72539210 XC Correction (2241.56795s) stopped
T25 << 1462764580.12754297 Atomic (2946.17996s) stopped
T25 >> 1462764580.12784696 Communicate (385.78243s) started
T25 << 1462764580.32003593 Communicate (385.97462s) stopped
T25 << 1462764580.32005906 Hamiltonian (32972.89251s) stopped
T25 >> 1462764580.32016397 LCAO eigensolver (21848.08735s) started
T25 >> 1462764580.32017899 Potential matrix (732.62081s) started
T25 << 1462764582.72292304 Potential matrix (735.02356s) stopped
T25 >> 1462764582.72300792 DistributedAtomicCorrection (308.11028s) started
T25 << 1462764583.76670504 DistributedAtomicCorrection (309.15398s) stopped
T25 >> 1462764583.76679707 Distribute overlap matrix (1702.78505s) started
T25 >> 1462764583.76682091 blocked summation (1665.58024s) started
T25 << 1462764589.65365195 blocked summation (1671.46708s) stopped
T25 >> 1462764589.66240096 Scalapack redistribute (34.27825s) started
T25 << 1462764589.76608109 Scalapack redistribute (34.38193s) stopped
T25 << 1462764589.76617408 Distribute overlap matrix (1708.78443s) stopped
T25 >> 1462764589.77123404 Blacs Orbital Layouts (17598.94770s) started
T25 >> 1462764589.77912593 General diagonalize (17524.56972s) started
T25 << 1462764647.04851794 General diagonalize (17581.83911s) stopped
T25 >> 1462764647.04856396 Redistribute coefs (5.98795s) started
T25 << 1462764647.07575893 Redistribute coefs (6.01515s) stopped
T25 >> 1462764647.07579899 Send coefs to domains (65.65777s) started
T25 << 1462764647.29914093 Send coefs to domains (65.88112s) stopped
T25 << 1462764647.29976797 Blacs Orbital Layouts (17656.47623s) stopped
T25 >> 1462764647.29981303 Calculate projections (1503.84067s) started
T25 << 1462764652.12010789 Calculate projections (1508.66097s) stopped
T25 << 1462764652.12030196 LCAO eigensolver (21919.88748s) stopped
T25 >> 1462764653.51067591 Density (4733.58229s) started
T25 >> 1462764653.51069093 Pseudo density (3868.57308s) started
T25 >> 1462764653.51266789 Calculate density matrix (3412.12486s) started
T25 << 1462764666.31358194 Calculate density matrix (3424.92578s) stopped
T25 >> 1462764666.31363702 Construct density (445.81298s) started
T25 << 1462764667.98337102 Construct density (447.48272s) stopped
T25 >> 1462764667.99727297 Symmetrize density (0.02157s) started
T25 << 1462764667.99732995 Symmetrize density (0.02163s) stopped
T25 << 1462764667.99970198 Pseudo density (3883.06209s) stopped
T25 >> 1462764667.99975801 Atomic density matrices (720.13336s) started
T25 << 1462764670.68815207 Atomic density matrices (722.82175s) stopped
T25 >> 1462764670.68820691 Multipole moments (2.64525s) started
T25 << 1462764670.70009208 Multipole moments (2.65714s) stopped
T25 >> 1462764670.70015192 Normalize (2.28254s) started
T25 << 1462764670.70991206 Normalize (2.29230s) stopped
T25 >> 1462764670.70998001 Mix (139.91609s) started
T25 << 1462764671.22402811 Mix (140.43014s) stopped
T25 << 1462764671.22412109 Density (4751.29573s) stopped
T25 >> 1462764671.22429490 Hamiltonian (32972.89252s) started
T25 >> 1462764671.22431302 vbar (7.55271s) started
T25 << 1462764671.25142002 vbar (7.57981s) stopped
T25 >> 1462764671.25156808 XC 3D grid (27369.25596s) started
T25 >> 1462764671.76723599 van der Waals (27098.12435s) started
T25 >> 1462764671.89908791 semilocal (18238.49576s) started
T25 << 1462765373.55851603 semilocal (18940.15519s) stopped
T25 >> 1462765373.61564398 redistribute (3601.01329s) started
T25 << 1462765374.60511589 redistribute (3602.00276s) stopped
T25 >> 1462765374.60522199 libvdwxc nonlocal (5200.84186s) started
T25 << 1462765393.80517006 libvdwxc nonlocal (5220.04181s) stopped
T25 >> 1462765393.80523205 redistribute (3602.00279s) started
T25 << 1462765395.48861504 redistribute (3603.68618s) stopped
T25 << 1462765395.49079204 van der Waals (27821.84791s) stopped
T25 << 1462765395.99679589 XC 3D grid (28094.00119s) stopped
T25 >> 1462765395.99683690 Poisson (2142.21152s) started
T25 << 1462765400.43256402 Poisson (2146.64725s) stopped
T25 >> 1462765400.43266511 Hartree integrate/restrict (106.00359s) started
T25 << 1462765400.48759508 Hartree integrate/restrict (106.05852s) stopped
T25 >> 1462765400.48766303 Hartree integrate/restrict (106.05856s) started
T25 << 1462765400.80654192 Hartree integrate/restrict (106.37744s) stopped
T25 >> 1462765400.89774489 Atomic (2946.17999s) started
T25 >> 1462765400.91834688 XC Correction (2241.56798s) started
T25 << 1462765411.69970798 XC Correction (2252.34934s) stopped
T25 << 1462765415.59355903 Atomic (2960.87580s) stopped
T25 >> 1462765415.59389400 Communicate (385.97463s) started
T25 << 1462765415.87567902 Communicate (386.25642s) stopped
T25 << 1462765415.87570405 Hamiltonian (33717.54393s) stopped
T25 >> 1462765415.87581110 LCAO eigensolver (21919.88750s) started
T25 >> 1462765415.87582588 Potential matrix (735.02360s) started
T25 << 1462765418.29301691 Potential matrix (737.44079s) stopped
T25 >> 1462765418.29310989 DistributedAtomicCorrection (309.15401s) started
T25 << 1462765419.34096003 DistributedAtomicCorrection (310.20186s) stopped
T25 >> 1462765419.34105992 Distribute overlap matrix (1708.78448s) started
T25 >> 1462765419.34108496 blocked summation (1671.46711s) started
T25 << 1462765425.16383791 blocked summation (1677.28986s) stopped
T25 >> 1462765425.17265606 Scalapack redistribute (34.38198s) started
T25 << 1462765425.27199888 Scalapack redistribute (34.48133s) stopped
T25 << 1462765425.27207208 Distribute overlap matrix (1714.71549s) stopped
T25 >> 1462765425.27683902 Blacs Orbital Layouts (17656.47625s) started
T25 >> 1462765425.28476691 General diagonalize (17581.83915s) started
T25 << 1462765487.10194707 General diagonalize (17643.65633s) stopped
T25 >> 1462765487.10200095 Redistribute coefs (6.01518s) started
T25 << 1462765487.11954188 Redistribute coefs (6.03272s) stopped
T25 >> 1462765487.11958504 Send coefs to domains (65.88116s) started
T25 << 1462765487.26442099 Send coefs to domains (66.02599s) stopped
T25 << 1462765487.26522589 Blacs Orbital Layouts (17718.46464s) stopped
T25 >> 1462765487.26526904 Calculate projections (1508.66102s) started
T25 << 1462765492.11836600 Calculate projections (1513.51412s) stopped
T25 << 1462765492.11858797 LCAO eigensolver (21996.13028s) stopped
T25 >> 1462765494.26856208 Density (4751.29575s) started
T25 >> 1462765494.26857901 Pseudo density (3883.06213s) started
T25 >> 1462765494.26981401 Calculate density matrix (3424.92582s) started
T25 << 1462765507.11250496 Calculate density matrix (3437.76851s) stopped
T25 >> 1462765507.11256194 Construct density (447.48277s) started
T25 << 1462765508.77045703 Construct density (449.14066s) stopped
T25 >> 1462765508.78257608 Symmetrize density (0.02164s) started
T25 << 1462765508.78263903 Symmetrize density (0.02171s) stopped
T25 << 1462765508.78473592 Pseudo density (3897.57829s) stopped
T25 >> 1462765508.78479505 Atomic density matrices (722.82178s) started
T25 << 1462765511.48080611 Atomic density matrices (725.51779s) stopped
T25 >> 1462765511.48085999 Multipole moments (2.65715s) started
T25 << 1462765511.49111605 Multipole moments (2.66741s) stopped
T25 >> 1462765511.49117804 Normalize (2.29235s) started
T25 << 1462765511.49823499 Normalize (2.29941s) stopped
T25 >> 1462765511.49835491 Mix (140.43023s) started
T25 << 1462765512.13674212 Mix (141.06862s) stopped
T25 << 1462765512.13681006 Density (4769.16400s) stopped
T25 >> 1462765512.13691592 Hamiltonian (33717.54394s) started
T25 >> 1462765512.13693190 vbar (7.57990s) started
T25 << 1462765512.15610909 vbar (7.59907s) stopped
T25 >> 1462765512.15621400 XC 3D grid (28094.00122s) started
T25 >> 1462765512.66708302 van der Waals (27821.84796s) started
T25 >> 1462765512.80009890 semilocal (18940.15525s) started
T25 << 1462767362.80586100 semilocal (20790.16102s) stopped
T25 >> 1462767362.86340690 redistribute (3603.68623s) started
T25 << 1462767363.77273297 redistribute (3604.59556s) stopped
T25 >> 1462767363.77284408 libvdwxc nonlocal (5220.04185s) started
T25 << 1462767382.35182500 libvdwxc nonlocal (5238.62083s) stopped
T25 >> 1462767382.35189295 redistribute (3604.59559s) started
T25 << 1462767384.17003703 redistribute (3606.41373s) stopped
T25 << 1462767384.17158890 van der Waals (29693.35246s) stopped
T25 << 1462767384.67358994 XC 3D grid (29966.51859s) stopped
T25 >> 1462767384.67363310 Poisson (2146.64733s) started
T25 << 1462767389.34207296 Poisson (2151.31577s) stopped
T25 >> 1462767389.34211802 Hartree integrate/restrict (106.37748s) started
T25 << 1462767389.38757396 Hartree integrate/restrict (106.42293s) stopped
T25 >> 1462767389.38763905 Hartree integrate/restrict (106.42298s) started
T25 << 1462767389.76881194 Hartree integrate/restrict (106.80415s) stopped
T25 >> 1462767389.84283304 Atomic (2960.87583s) started
T25 >> 1462767389.86702108 XC Correction (2252.34937s) started
T25 << 1462767400.67904997 XC Correction (2263.16140s) stopped
T25 << 1462767404.59246898 Atomic (2975.62546s) stopped
T25 >> 1462767404.59275889 Communicate (386.25643s) started
T25 << 1462767404.83410192 Communicate (386.49778s) stopped
T25 << 1462767404.83412790 Hamiltonian (35610.24115s) stopped
T25 >> 1462767404.83424401 LCAO eigensolver (21996.13030s) started
T25 >> 1462767404.83425903 Potential matrix (737.44085s) started
T25 << 1462767407.25315094 Potential matrix (739.85974s) stopped
T25 >> 1462767407.25325298 DistributedAtomicCorrection (310.20190s) started
T25 << 1462767408.29587197 DistributedAtomicCorrection (311.24452s) stopped
T25 >> 1462767408.29597092 Distribute overlap matrix (1714.71551s) started
T25 >> 1462767408.29599810 blocked summation (1677.28990s) started
T25 << 1462767414.12087893 blocked summation (1683.11478s) stopped
T25 >> 1462767414.13008094 Scalapack redistribute (34.48137s) started
T25 << 1462767414.28387189 Scalapack redistribute (34.63516s) stopped
T25 << 1462767414.28395391 Distribute overlap matrix (1720.70349s) stopped
T25 >> 1462767414.29052496 Blacs Orbital Layouts (17718.46466s) started
T25 >> 1462767414.29927707 General diagonalize (17643.65637s) started
T25 << 1462767472.44156003 General diagonalize (17701.79865s) stopped
T25 >> 1462767472.44160390 Redistribute coefs (6.03275s) started
T25 << 1462767472.47386789 Redistribute coefs (6.06501s) stopped
T25 >> 1462767472.47391391 Send coefs to domains (66.02603s) started
T25 << 1462767472.69561505 Send coefs to domains (66.24773s) stopped
T25 << 1462767472.69626188 Blacs Orbital Layouts (17776.87040s) stopped
T25 >> 1462767472.69631195 Calculate projections (1513.51418s) started
T25 << 1462767477.50236511 Calculate projections (1518.32023s) stopped
T25 << 1462767477.50277591 LCAO eigensolver (22068.79883s) stopped
T25 << 1462767479.24346304 SCF-cycle (62863.88087s) stopped
T25 >> 1462767482.09120107 Force calculation (3049.81545s) started
T25 >> 1462767482.09128499 LCAO forces (2735.83880s) started
T25 >> 1462767482.09165812 Initial (0.00078s) started
T25 << 1462767482.09166908 Initial (0.00080s) stopped
T25 >> 1462767482.09822106 Get density matrix (1277.21621s) started
T25 << 1462767491.53712296 Get density matrix (1286.65511s) stopped
T25 >> 1462767491.53716612 Potential (434.88167s) started
T25 << 1462767504.00401807 Potential (447.34852s) stopped
T25 >> 1462767504.00407505 Get density matrix (1286.65515s) started
T25 << 1462767531.28313303 Get density matrix (1313.93421s) stopped
T25 >> 1462767531.28319311 Prepare TCI loop (86.24559s) started
T25 >> 1462767531.28373003 Get neighbors (77.83831s) started
T25 << 1462767533.56683111 Get neighbors (80.12141s) stopped
T25 >> 1462767533.56811595 broadcast dH (8.36112s) started
T25 << 1462767533.95470190 broadcast dH (8.74770s) stopped
T25 << 1462767533.95475197 Prepare TCI loop (88.91715s) stopped
T25 >> 1462767533.95477104 Not so complicated loop (367.05717s) started
T25 << 1462767544.43933702 Not so complicated loop (377.54174s) stopped
T25 >> 1462767544.55818105 Complicated loop (565.90003s) started
T25 << 1462767560.77976608 Complicated loop (582.12161s) stopped
T25 >> 1462767560.78272510 Wait for sum (0.00377s) started
T25 << 1462767560.78281212 Wait for sum (0.00386s) stopped
T25 << 1462767560.78282690 LCAO forces (2814.53034s) stopped
T25 << 1462767570.19513702 Force calculation (3137.91939s) stopped
T25 >> 1462767570.21636701 Initialization (4628.84322s) started
T25 << 1462767570.21661711 Initialization (4628.84347s) stopped
T25 >> 1462767570.21691895 Initialization (4628.84349s) started
T25 << 1462767570.21709895 Initialization (4628.84367s) stopped
T25 >> 1462767570.21725893 Initialization (4628.84368s) started
T25 << 1462767570.21741796 Initialization (4628.84384s) stopped
T25 >> 1462767593.56735992 Initialization (4628.84386s) started
T25 >> 1462767593.78436804 Basic WFS set positions (4.92792s) started
T25 >> 1462767593.78439212 Redistribute (0.28545s) started
T25 << 1462767593.78452396 Redistribute (0.28558s) stopped
T25 << 1462767593.94448900 Basic WFS set positions (5.08804s) stopped
T25 >> 1462767593.94455099 Basis functions set positions (73.88176s) started
T25 << 1462767596.27122402 Basis functions set positions (76.20844s) stopped
T25 >> 1462767596.27841806 TCI: Calculate S, T, P (909.25148s) started
T25 << 1462767623.53308105 TCI: Calculate S, T, P (936.50614s) stopped
T25 >> 1462767623.53318501 blocked summation (939.35737s) started
T25 << 1462767658.22991800 blocked summation (974.05411s) stopped
T25 >> 1462767658.24829197 Scalapack redistribute (10.00894s) started
T25 << 1462767658.35339403 Scalapack redistribute (10.11404s) stopped
T25 >> 1462767658.35437298 blocked summation (974.05414s) started
T25 << 1462767659.78035402 blocked summation (975.48012s) stopped
T25 >> 1462767659.78967309 Scalapack redistribute (10.11410s) started
T25 << 1462767659.96647692 Scalapack redistribute (10.29090s) stopped
T25 >> 1462767659.97015500 Redistribute (0.81403s) started
T25 << 1462767659.97137499 Redistribute (0.81525s) stopped
T25 >> 1462767661.94326997 Redistribute (0.81527s) started
T25 << 1462767661.94535899 Redistribute (0.81736s) stopped
T25 >> 1462767661.96831703 LCAO WFS Initialize (2602.43240s) started
T25 >> 1462767661.96836710 Density initialize from wavefunctions (518.31039s) started
T25 >> 1462767661.97232199 Calculate density matrix (353.01350s) started
T25 << 1462767671.94705200 Calculate density matrix (362.98823s) stopped
T25 >> 1462767671.94710803 Construct density (57.42086s) started
T25 << 1462767673.59150195 Construct density (59.06526s) stopped
T25 >> 1462767673.68948793 Symmetrize density (0.00274s) started
T25 << 1462767673.68954492 Symmetrize density (0.00280s) stopped
T25 << 1462767676.72253299 Density initialize from wavefunctions (533.06455s) stopped
T25 >> 1462767676.72320008 Hamiltonian (2083.07946s) started
T25 >> 1462767676.72322512 vbar (0.88902s) started
T25 << 1462767676.74306703 vbar (0.90886s) stopped
T25 >> 1462767676.74313998 XC 3D grid (1080.38303s) started
T25 >> 1462767677.31259990 van der Waals (1044.55262s) started
T25 >> 1462767677.44898701 semilocal (239.05191s) started
T25 << 1462767684.19748402 semilocal (245.80041s) stopped
T25 >> 1462767684.26668096 redistribute (109.77279s) started
T25 << 1462767685.77528191 redistribute (111.28140s) stopped
T25 >> 1462767685.77538991 libvdwxc nonlocal (688.42587s) started
T25 << 1462767704.97771692 libvdwxc nonlocal (707.62820s) stopped
T25 >> 1462767704.97779012 redistribute (111.28143s) started
T25 << 1462767706.60019588 redistribute (112.90384s) stopped
T25 << 1462767706.60261989 van der Waals (1073.84264s) stopped
T25 << 1462767707.09321904 XC 3D grid (1110.73310s) stopped
T25 >> 1462767707.09326196 Poisson (503.05729s) started
T25 << 1462767718.75904298 Poisson (514.72307s) stopped
T25 >> 1462767718.75911403 Hartree integrate/restrict (14.24286s) started
T25 << 1462767718.81567001 Hartree integrate/restrict (14.29942s) stopped
T25 >> 1462767718.81575704 Hartree integrate/restrict (14.29948s) started
T25 << 1462767719.22520208 Hartree integrate/restrict (14.70892s) stopped
T25 >> 1462767719.28192997 Atomic (459.17335s) started
T25 >> 1462767719.30255508 XC Correction (337.84776s) started
T25 << 1462767730.28176308 XC Correction (348.82697s) stopped
T25 << 1462767735.77035999 Atomic (475.66178s) stopped
T25 >> 1462767735.77075195 Communicate (23.12599s) started
T25 << 1462767735.77090812 Communicate (23.12614s) stopped
T25 << 1462767735.77093101 Hamiltonian (2142.12719s) stopped
T25 << 1462767735.77099109 LCAO WFS Initialize (2676.23507s) stopped
T25 << 1462767735.78336000 Initialization (4771.05986s) stopped
T25 >> 1462767735.81288695 SCF-cycle (62863.88089s) started
T25 >> 1462767735.81294394 LCAO eigensolver (22068.79885s) started
T25 >> 1462767735.81295705 Potential matrix (739.85980s) started
T25 << 1462767738.23672605 Potential matrix (742.28357s) stopped
T25 >> 1462767738.23681402 DistributedAtomicCorrection (311.24456s) started
T25 << 1462767739.27383304 DistributedAtomicCorrection (312.28158s) stopped
T25 >> 1462767739.27387691 Distribute overlap matrix (1720.70350s) started
T25 >> 1462767739.27394700 blocked summation (1683.11481s) started
T25 << 1462767745.19093299 blocked summation (1689.03180s) stopped
T25 >> 1462767745.20084190 Scalapack redistribute (34.63520s) started
T25 << 1462767745.30163789 Scalapack redistribute (34.73599s) stopped
T25 << 1462767745.30170894 Distribute overlap matrix (1726.73133s) stopped
T25 >> 1462767745.30698991 Blacs Orbital Layouts (17776.87042s) started
T25 >> 1462767745.31510091 General diagonalize (17701.79869s) started
T25 << 1462767801.95202708 General diagonalize (17758.43562s) stopped
T25 >> 1462767801.95211506 Redistribute coefs (6.06505s) started
T25 << 1462767801.98519993 Redistribute coefs (6.09814s) stopped
T25 >> 1462767801.98523998 Send coefs to domains (66.24777s) started
T25 << 1462767802.11670804 Send coefs to domains (66.37924s) stopped
T25 << 1462767802.11730790 Blacs Orbital Layouts (17833.68074s) stopped
T25 >> 1462767802.11733794 Calculate projections (1518.32029s) started
T25 << 1462767806.99185300 Calculate projections (1523.19480s) stopped
T25 << 1462767806.99226499 LCAO eigensolver (22139.97817s) stopped
T25 >> 1462767808.31972003 Density (4769.16401s) started
T25 >> 1462767808.31973600 Pseudo density (3897.57834s) started
T25 >> 1462767808.32123399 Calculate density matrix (3437.76854s) started
T25 << 1462767821.09138489 Calculate density matrix (3450.53870s) stopped
T25 >> 1462767821.09144306 Construct density (449.14072s) started
T25 << 1462767822.74627304 Construct density (450.79555s) stopped
T25 >> 1462767822.98598790 Symmetrize density (0.02172s) started
T25 << 1462767822.98605490 Symmetrize density (0.02179s) stopped
T25 << 1462767822.98843694 Pseudo density (3912.24704s) stopped
T25 >> 1462767822.98849607 Atomic density matrices (725.51781s) started
T25 << 1462767825.46705508 Atomic density matrices (727.99637s) stopped
T25 >> 1462767825.46710801 Multipole moments (2.66743s) started
T25 << 1462767825.48035502 Multipole moments (2.68067s) stopped
T25 >> 1462767825.48041511 Normalize (2.29950s) started
T25 << 1462767825.48819089 Normalize (2.30728s) stopped
T25 >> 1462767825.48823309 Mix (141.06868s) started
T25 << 1462767825.91852808 Mix (141.49898s) stopped
T25 << 1462767825.91857409 Density (4786.76287s) stopped
T25 >> 1462767825.91882610 Hamiltonian (35610.24117s) started
T25 >> 1462767825.91884589 vbar (7.59913s) started
T25 << 1462767825.94576907 vbar (7.62606s) stopped
T25 >> 1462767825.94586992 XC 3D grid (29966.51863s) started
T25 >> 1462767826.44552898 van der Waals (29693.35255s) started
T25 >> 1462767826.57726598 semilocal (20790.16108s) started
T25 << 1462767833.53062391 semilocal (20797.11444s) stopped
T25 >> 1462767833.60942101 redistribute (3606.41380s) started
T25 << 1462767834.71589303 redistribute (3607.52028s) stopped
T25 >> 1462767834.71593595 libvdwxc nonlocal (5238.62089s) started
T25 << 1462767853.91248703 libvdwxc nonlocal (5257.81744s) stopped
T25 >> 1462767853.91256094 redistribute (3607.52031s) started
T25 << 1462767856.00225091 redistribute (3609.61000s) stopped
T25 << 1462767856.00435400 van der Waals (29722.91138s) stopped
T25 << 1462767856.49043489 XC 3D grid (29997.06319s) stopped
T25 >> 1462767856.49047804 Poisson (2151.31580s) started
T25 << 1462767862.36201096 Poisson (2157.18733s) stopped
T25 >> 1462767862.36207199 Hartree integrate/restrict (106.80419s) started
T25 << 1462767862.40743089 Hartree integrate/restrict (106.84955s) stopped
T25 >> 1462767862.40749002 Hartree integrate/restrict (106.84959s) started
T25 << 1462767862.75912499 Hartree integrate/restrict (107.20122s) stopped
T25 >> 1462767862.82036805 Atomic (2975.62549s) started
T25 >> 1462767862.84071589 XC Correction (2263.16142s) started
T25 << 1462767873.61262393 XC Correction (2273.93333s) stopped
T25 << 1462767879.33227992 Atomic (2992.13740s) stopped
T25 >> 1462767879.33256006 Communicate (386.49779s) started
T25 << 1462767879.33317304 Communicate (386.49841s) stopped
T25 << 1462767879.33319592 Hamiltonian (35663.65553s) stopped
T25 >> 1462767879.33329797 LCAO eigensolver (22139.97819s) started
T25 >> 1462767879.33331203 Potential matrix (742.28362s) started
T25 << 1462767881.75282001 Potential matrix (744.70313s) stopped
T25 >> 1462767881.75292110 DistributedAtomicCorrection (312.28162s) started
T25 << 1462767882.82496405 DistributedAtomicCorrection (313.35366s) stopped
T25 >> 1462767882.82506800 Distribute overlap matrix (1726.73135s) started
T25 >> 1462767882.82509303 blocked summation (1689.03183s) started
T25 << 1462767888.69417906 blocked summation (1694.90092s) stopped
T25 >> 1462767888.70349789 Scalapack redistribute (34.73605s) started
T25 << 1462767888.83867788 Scalapack redistribute (34.87123s) stopped
T25 << 1462767888.83873010 Distribute overlap matrix (1732.74501s) stopped
T25 >> 1462767888.84459996 Blacs Orbital Layouts (17833.68076s) started
T25 >> 1462767888.85297108 General diagonalize (17758.43569s) started
T25 << 1462767946.85785389 General diagonalize (17816.44057s) stopped
T25 >> 1462767946.85790205 Redistribute coefs (6.09817s) started
T25 << 1462767946.87482095 Redistribute coefs (6.11509s) stopped
T25 >> 1462767946.87486911 Send coefs to domains (66.37928s) started
T25 << 1462767946.96481299 Send coefs to domains (66.46923s) stopped
T25 << 1462767946.96553206 Blacs Orbital Layouts (17891.80169s) stopped
T25 >> 1462767946.96558189 Calculate projections (1523.19486s) started
T25 << 1462767951.77140188 Calculate projections (1528.00068s) stopped
T25 << 1462767951.77179790 LCAO eigensolver (22212.41669s) stopped
T25 >> 1462767953.19527888 Density (4786.76288s) started
T25 >> 1462767953.19529390 Pseudo density (3912.24709s) started
T25 >> 1462767953.19662309 Calculate density matrix (3450.53873s) started
T25 << 1462767966.27012396 Calculate density matrix (3463.61223s) stopped
T25 >> 1462767966.27018094 Construct density (450.79560s) started
T25 << 1462767967.92145395 Construct density (452.44688s) stopped
T25 >> 1462767968.15926003 Symmetrize density (0.02181s) started
T25 << 1462767968.15931892 Symmetrize density (0.02187s) stopped
T25 << 1462767968.16140199 Pseudo density (3927.21319s) stopped
T25 >> 1462767968.16145706 Atomic density matrices (727.99640s) started
T25 << 1462767970.66026497 Atomic density matrices (730.49521s) stopped
T25 >> 1462767970.66031790 Multipole moments (2.68069s) started
T25 << 1462767970.67340803 Multipole moments (2.69378s) stopped
T25 >> 1462767970.67347002 Normalize (2.30731s) started
T25 << 1462767970.68013906 Normalize (2.31398s) stopped
T25 >> 1462767970.68021894 Mix (141.49902s) started
T25 << 1462767971.15132904 Mix (141.97013s) stopped
T25 << 1462767971.15141392 Density (4804.71902s) stopped
T25 >> 1462767971.15170789 Hamiltonian (35663.65555s) started
T25 >> 1462767971.15172791 vbar (7.62611s) started
T25 << 1462767971.17934990 vbar (7.65373s) stopped
T25 >> 1462767971.17952108 XC 3D grid (29997.06322s) started
T25 >> 1462767971.68272209 van der Waals (29722.91146s) started
T25 >> 1462767971.81660891 semilocal (20797.11451s) started
T25 << 1462767978.27552009 semilocal (20803.57343s) stopped
T25 >> 1462767978.38220310 redistribute (3609.61011s) started
T25 << 1462767979.78225994 redistribute (3611.01017s) stopped
T25 >> 1462767979.78236794 libvdwxc nonlocal (5257.81749s) started
T25 << 1462767998.63965988 libvdwxc nonlocal (5276.67478s) stopped
T25 >> 1462767998.63972807 redistribute (3611.01020s) started
T25 << 1462768000.27279806 redistribute (3612.64327s) stopped
T25 << 1462768000.27539492 van der Waals (29751.50413s) stopped
T25 << 1462768000.76192498 XC 3D grid (30026.64563s) stopped
T25 >> 1462768000.76197004 Poisson (2157.18738s) started
T25 << 1462768006.83528399 Poisson (2163.26069s) stopped
T25 >> 1462768006.83535004 Hartree integrate/restrict (107.20127s) started
T25 << 1462768006.88400006 Hartree integrate/restrict (107.24992s) stopped
T25 >> 1462768006.88404489 Hartree integrate/restrict (107.24995s) started
T25 << 1462768007.22876501 Hartree integrate/restrict (107.59467s) stopped
T25 >> 1462768007.28561401 Atomic (2992.13742s) started
T25 >> 1462768007.30557489 XC Correction (2273.93336s) started
T25 << 1462768017.66934705 XC Correction (2284.29713s) stopped
T25 << 1462768023.53008103 Atomic (3008.38188s) stopped
T25 >> 1462768023.53041911 Communicate (386.49842s) started
T25 << 1462768023.53053999 Communicate (386.49854s) stopped
T25 << 1462768023.53056312 Hamiltonian (35716.03440s) stopped
T25 >> 1462768023.53066301 LCAO eigensolver (22212.41671s) started
T25 >> 1462768023.53067803 Potential matrix (744.70318s) started
T25 << 1462768025.95599294 Potential matrix (747.12850s) stopped
T25 >> 1462768025.95612311 DistributedAtomicCorrection (313.35371s) started
T25 << 1462768027.02645397 DistributedAtomicCorrection (314.42404s) stopped
T25 >> 1462768027.02655005 Distribute overlap matrix (1732.74502s) started
T25 >> 1462768027.02657390 blocked summation (1694.90095s) started
T25 << 1462768032.93039608 blocked summation (1700.80478s) stopped
T25 >> 1462768032.93999290 Scalapack redistribute (34.87126s) started
T25 << 1462768033.07374811 Scalapack redistribute (35.00501s) stopped
T25 << 1462768033.07383895 Distribute overlap matrix (1738.79231s) stopped
T25 >> 1462768033.07853198 Blacs Orbital Layouts (17891.80171s) started
T25 >> 1462768033.08719802 General diagonalize (17816.44061s) started
T25 << 1462768090.10126495 General diagonalize (17873.45468s) stopped
T25 >> 1462768090.10131311 Redistribute coefs (6.11512s) started
T25 << 1462768090.12083006 Redistribute coefs (6.13464s) stopped
T25 >> 1462768090.12086797 Send coefs to domains (66.46927s) started
T25 << 1462768090.28422093 Send coefs to domains (66.63262s) stopped
T25 << 1462768090.28487706 Blacs Orbital Layouts (17949.00806s) stopped
T25 >> 1462768090.28492308 Calculate projections (1528.00073s) started
T25 << 1462768095.09158707 Calculate projections (1532.80739s) stopped
T25 << 1462768095.09194493 LCAO eigensolver (22283.97799s) stopped
T25 >> 1462768097.68027592 Density (4804.71903s) started
T25 >> 1462768097.68029189 Pseudo density (3927.21324s) started
T25 >> 1462768097.68153405 Calculate density matrix (3463.61227s) started
T25 << 1462768110.44425392 Calculate density matrix (3476.37499s) stopped
T25 >> 1462768110.44431090 Construct density (452.44693s) started
T25 << 1462768112.09558105 Construct density (454.09820s) stopped
T25 >> 1462768112.19830608 Symmetrize density (0.02189s) started
T25 << 1462768112.19836092 Symmetrize density (0.02194s) stopped
T25 << 1462768112.20043397 Pseudo density (3941.73338s) stopped
T25 >> 1462768112.20048904 Atomic density matrices (730.49523s) started
T25 << 1462768114.80016494 Atomic density matrices (733.09491s) stopped
T25 >> 1462768114.80021811 Multipole moments (2.69380s) started
T25 << 1462768114.81230903 Multipole moments (2.70589s) stopped
T25 >> 1462768114.81237006 Normalize (2.31404s) started
T25 << 1462768114.81908488 Normalize (2.32075s) stopped
T25 >> 1462768114.81915593 Mix (141.97021s) started
T25 << 1462768115.27461195 Mix (142.42567s) stopped
T25 << 1462768115.27464390 Density (4822.31340s) stopped
T25 >> 1462768115.27485991 Hamiltonian (35716.03441s) started
T25 >> 1462768115.27487612 vbar (7.65382s) started
T25 << 1462768115.30014610 vbar (7.67909s) stopped
T25 >> 1462768115.30027103 XC 3D grid (30026.64566s) started
T25 >> 1462768115.86741805 van der Waals (29751.50425s) started
T25 >> 1462768116.00290489 semilocal (20803.57357s) started
T25 << 1462768122.97814107 semilocal (20810.54881s) stopped
T25 >> 1462768123.03720403 redistribute (3612.64338s) started
T25 << 1462768124.16504192 redistribute (3613.77122s) stopped
T25 >> 1462768124.16514802 libvdwxc nonlocal (5276.67484s) started
T25 << 1462768143.00432301 libvdwxc nonlocal (5295.51401s) stopped
T25 >> 1462768143.00439000 redistribute (3613.77125s) started
T25 << 1462768144.92781496 redistribute (3615.69468s) stopped
T25 << 1462768144.92924094 van der Waals (29780.56607s) stopped
T25 << 1462768145.43049407 XC 3D grid (30056.77589s) stopped
T25 >> 1462768145.43053389 Poisson (2163.26074s) started
T25 << 1462768151.46072507 Poisson (2169.29093s) stopped
T25 >> 1462768151.46078396 Hartree integrate/restrict (107.59474s) started
T25 << 1462768151.49849105 Hartree integrate/restrict (107.63245s) stopped
T25 >> 1462768151.49856091 Hartree integrate/restrict (107.63249s) started
T25 << 1462768151.85383010 Hartree integrate/restrict (107.98776s) stopped
T25 >> 1462768151.94625497 Atomic (3008.38191s) started
T25 >> 1462768151.96666908 XC Correction (2284.29716s) started
T25 << 1462768162.23065996 XC Correction (2294.56115s) stopped
T25 << 1462768167.39026308 Atomic (3023.82591s) stopped
T25 >> 1462768167.39061594 Communicate (386.49855s) started
T25 << 1462768167.39073706 Communicate (386.49868s) stopped
T25 << 1462768167.39075994 Hamiltonian (35768.15031s) stopped
T25 >> 1462768167.39086699 LCAO eigensolver (22283.97801s) started
T25 >> 1462768167.39088202 Potential matrix (747.12859s) started
T25 << 1462768169.80760789 Potential matrix (749.54532s) stopped
T25 >> 1462768169.80770802 DistributedAtomicCorrection (314.42407s) started
T25 << 1462768170.88320208 DistributedAtomicCorrection (315.49957s) stopped
T25 >> 1462768170.88330007 Distribute overlap matrix (1738.79233s) started
T25 >> 1462768170.88332605 blocked summation (1700.80481s) started
T25 << 1462768176.70704508 blocked summation (1706.62853s) stopped
T25 >> 1462768176.71637702 Scalapack redistribute (35.00507s) started
T25 << 1462768176.83802700 Scalapack redistribute (35.12672s) stopped
T25 << 1462768176.83810997 Distribute overlap matrix (1744.74714s) stopped
T25 >> 1462768176.84407496 Blacs Orbital Layouts (17949.00808s) started
T25 >> 1462768176.85264707 General diagonalize (17873.45472s) started
T25 << 1462768238.16557407 General diagonalize (17934.76765s) stopped
T25 >> 1462768238.16562295 Redistribute coefs (6.13467s) started
T25 << 1462768238.18263412 Redistribute coefs (6.15168s) stopped
T25 >> 1462768238.18267989 Send coefs to domains (66.63266s) started
T25 << 1462768238.47072792 Send coefs to domains (66.92071s) stopped
T25 << 1462768238.47131610 Blacs Orbital Layouts (18010.63532s) stopped
T25 >> 1462768238.47136211 Calculate projections (1532.80745s) started
T25 << 1462768243.29464889 Calculate projections (1537.63073s) stopped
T25 << 1462768243.29485607 LCAO eigensolver (22359.88200s) stopped
T25 >> 1462768244.68768907 Density (4822.31342s) started
T25 >> 1462768244.68770409 Pseudo density (3941.73343s) started
T25 >> 1462768244.68920994 Calculate density matrix (3476.37503s) started
T25 << 1462768257.54253411 Calculate density matrix (3489.22835s) stopped
T25 >> 1462768257.54259205 Construct density (454.09825s) started
T25 << 1462768259.19160295 Construct density (455.74726s) stopped
T25 >> 1462768259.33667111 Symmetrize density (0.02196s) started
T25 << 1462768259.33672309 Symmetrize density (0.02201s) stopped
T25 << 1462768259.33881807 Pseudo density (3956.38454s) stopped
T25 >> 1462768259.33887506 Atomic density matrices (733.09493s) started
T25 << 1462768261.94318199 Atomic density matrices (735.69924s) stopped
T25 >> 1462768261.94323492 Multipole moments (2.70591s) started
T25 << 1462768261.95479798 Multipole moments (2.71747s) stopped
T25 >> 1462768261.95485806 Normalize (2.32080s) started
T25 << 1462768261.96171904 Normalize (2.32766s) stopped
T25 >> 1462768261.96180105 Mix (142.42570s) started
T25 << 1462768262.50793600 Mix (142.97183s) stopped
T25 << 1462768262.50800109 Density (4840.13373s) stopped
T25 >> 1462768262.50822902 Hamiltonian (35768.15033s) started
T25 >> 1462768262.50824594 vbar (7.67916s) started
T25 << 1462768262.52737308 vbar (7.69829s) stopped
T25 >> 1462768262.52747703 XC 3D grid (30056.77592s) started
T25 >> 1462768263.01779294 van der Waals (29780.56615s) started
T25 >> 1462768263.14984202 semilocal (20810.54888s) started
T25 << 1462768499.52017403 semilocal (21046.91921s) stopped
T25 >> 1462768499.58657408 redistribute (3615.69473s) started
T25 << 1462768500.97559404 redistribute (3617.08375s) stopped
T25 >> 1462768500.97569799 libvdwxc nonlocal (5295.51406s) started
T25 << 1462768520.53131509 libvdwxc nonlocal (5315.06968s) stopped
T25 >> 1462768520.53137803 redistribute (3617.08378s) started
T25 << 1462768522.12189698 redistribute (3618.67430s) stopped
T25 << 1462768522.12348104 van der Waals (30039.67184s) stopped
T25 << 1462768522.61587596 XC 3D grid (30316.86432s) stopped
T25 >> 1462768522.61592507 Poisson (2169.29097s) started
T25 << 1462768527.13177204 Poisson (2173.80682s) stopped
T25 >> 1462768527.13187099 Hartree integrate/restrict (107.98780s) started
T25 << 1462768527.19662094 Hartree integrate/restrict (108.05255s) stopped
T25 >> 1462768527.19666100 Hartree integrate/restrict (108.05257s) started
T25 << 1462768527.51099205 Hartree integrate/restrict (108.36691s) stopped
T25 >> 1462768527.57035589 Atomic (3023.82594s) started
T25 >> 1462768527.59066892 XC Correction (2294.56118s) started
T25 << 1462768537.95070291 XC Correction (2304.92121s) stopped
T25 << 1462768542.54880905 Atomic (3038.80439s) stopped
T25 >> 1462768542.54913902 Communicate (386.49869s) started
T25 << 1462768542.54925704 Communicate (386.49881s) stopped
T25 << 1462768542.54928088 Hamiltonian (36048.19138s) stopped
T25 >> 1462768542.54937911 LCAO eigensolver (22359.88201s) started
T25 >> 1462768542.54939389 Potential matrix (749.54537s) started
T25 << 1462768544.96176100 Potential matrix (751.95774s) stopped
T25 >> 1462768544.96184993 DistributedAtomicCorrection (315.49961s) started
T25 << 1462768546.04260206 DistributedAtomicCorrection (316.58036s) stopped
T25 >> 1462768546.04269409 Distribute overlap matrix (1744.74715s) started
T25 >> 1462768546.04271793 blocked summation (1706.62856s) started
T25 << 1462768551.91923308 blocked summation (1712.50508s) stopped
T25 >> 1462768551.92903900 Scalapack redistribute (35.12678s) started
T25 << 1462768552.03641009 Scalapack redistribute (35.23415s) stopped
T25 << 1462768552.03647804 Distribute overlap matrix (1750.74093s) stopped
T25 >> 1462768552.04189706 Blacs Orbital Layouts (18010.63534s) started
T25 >> 1462768552.05003905 General diagonalize (17934.76769s) started
T25 << 1462768613.67085099 General diagonalize (17996.38850s) stopped
T25 >> 1462768613.67089605 Redistribute coefs (6.15172s) started
T25 << 1462768613.69803810 Redistribute coefs (6.17886s) stopped
T25 >> 1462768613.69808197 Send coefs to domains (66.92075s) started
T25 << 1462768614.04727411 Send coefs to domains (67.26994s) stopped
T25 << 1462768614.04793692 Blacs Orbital Layouts (18072.64138s) stopped
T25 >> 1462768614.04797697 Calculate projections (1537.63078s) started
T25 << 1462768618.86417508 Calculate projections (1542.44698s) stopped
T25 << 1462768618.86436701 LCAO eigensolver (22436.19700s) stopped
T25 >> 1462768620.30700803 Density (4840.13376s) started
T25 >> 1462768620.30702305 Pseudo density (3956.38459s) started
T25 >> 1462768620.30829692 Calculate density matrix (3489.22839s) started
T25 << 1462768633.02093911 Calculate density matrix (3501.94104s) stopped
T25 >> 1462768633.02100301 Construct density (455.74731s) started
T25 << 1462768634.67162609 Construct density (457.39793s) stopped
T25 >> 1462768634.87748408 Symmetrize density (0.02203s) started
T25 << 1462768634.87754297 Symmetrize density (0.02209s) stopped
T25 << 1462768634.87973189 Pseudo density (3970.95729s) stopped
T25 >> 1462768634.87978911 Atomic density matrices (735.69926s) started
T25 << 1462768637.39293504 Atomic density matrices (738.21241s) stopped
T25 >> 1462768637.39298892 Multipole moments (2.71749s) started
T25 << 1462768637.40264797 Multipole moments (2.72715s) stopped
T25 >> 1462768637.40270901 Normalize (2.32772s) started
T25 << 1462768637.40964794 Normalize (2.33466s) stopped
T25 >> 1462768637.40975690 Mix (142.97190s) started
T25 << 1462768637.95943189 Mix (143.52157s) stopped
T25 << 1462768637.95952201 Density (4857.78628s) stopped
T25 >> 1462768637.95981789 Hamiltonian (36048.19139s) started
T25 >> 1462768637.95983911 vbar (7.69835s) started
T25 << 1462768637.99145198 vbar (7.72996s) stopped
T25 >> 1462768637.99161601 XC 3D grid (30316.86435s) started
T25 >> 1462768638.49022603 van der Waals (30039.67192s) started
T25 >> 1462768638.62738609 semilocal (21046.91930s) started
T25 << 1462770287.55784702 semilocal (22695.84976s) stopped
T25 >> 1462770287.61865306 redistribute (3618.67435s) started
T25 << 1462770288.56547189 redistribute (3619.62116s) stopped
T25 >> 1462770288.56557894 libvdwxc nonlocal (5315.06973s) started
T25 << 1462770307.37273788 libvdwxc nonlocal (5333.87689s) stopped
T25 >> 1462770307.37280989 redistribute (3619.62120s) started
T25 << 1462770309.36180592 redistribute (3621.61019s) stopped
T25 << 1462770309.36407709 van der Waals (31710.54577s) stopped
T25 << 1462770309.86401892 XC 3D grid (31988.73675s) stopped
T25 >> 1462770309.86406302 Poisson (2173.80689s) started
T25 << 1462770314.28824592 Poisson (2178.23107s) stopped
T25 >> 1462770314.28832102 Hartree integrate/restrict (108.36701s) started
T25 << 1462770314.32768297 Hartree integrate/restrict (108.40637s) stopped
T25 >> 1462770314.32775402 Hartree integrate/restrict (108.40642s) started
T25 << 1462770314.80182409 Hartree integrate/restrict (108.88049s) stopped
T25 >> 1462770314.85692596 Atomic (3038.80441s) started
T25 >> 1462770314.87857103 XC Correction (2304.92124s) started
T25 << 1462770325.43273711 XC Correction (2315.47541s) stopped
T25 << 1462770329.93852091 Atomic (3053.88601s) stopped
T25 >> 1462770329.93886590 Communicate (386.49882s) started
T25 << 1462770329.93898797 Communicate (386.49894s) stopped
T25 << 1462770329.93901300 Hamiltonian (37740.17059s) stopped
T25 >> 1462770329.93911600 LCAO eigensolver (22436.19728s) started
T25 >> 1462770329.93913198 Potential matrix (751.95779s) started
T25 << 1462770332.35449004 Potential matrix (754.37315s) stopped
T25 >> 1462770332.35458302 DistributedAtomicCorrection (316.58040s) started
T25 << 1462770333.46728802 DistributedAtomicCorrection (317.69310s) stopped
T25 >> 1462770333.46739006 Distribute overlap matrix (1750.74094s) started
T25 >> 1462770333.46741605 blocked summation (1712.50511s) started
T25 << 1462770339.36403298 blocked summation (1718.40173s) stopped
T25 >> 1462770339.37381697 Scalapack redistribute (35.23419s) started
T25 << 1462770339.46202302 Scalapack redistribute (35.32239s) stopped
T25 << 1462770339.46212006 Distribute overlap matrix (1756.73567s) stopped
T25 >> 1462770339.46691608 Blacs Orbital Layouts (18072.64140s) started
T25 >> 1462770339.47504091 General diagonalize (17996.38853s) started
T25 << 1462770401.20581102 General diagonalize (18058.11930s) stopped
T25 >> 1462770401.20585704 Redistribute coefs (6.17889s) started
T25 << 1462770401.23392892 Redistribute coefs (6.20697s) stopped
T25 >> 1462770401.23396802 Send coefs to domains (67.27000s) started
T25 << 1462770401.38444400 Send coefs to domains (67.42048s) stopped
T25 << 1462770401.38516402 Blacs Orbital Layouts (18134.55965s) stopped
T25 >> 1462770401.38521409 Calculate projections (1542.44703s) started
T25 << 1462770406.20007396 Calculate projections (1547.26189s) stopped
T25 << 1462770406.20049000 LCAO eigensolver (22512.45865s) stopped
T25 << 1462770408.10238099 SCF-cycle (65536.17038s) stopped
T25 >> 1462770410.94051790 Force calculation (3137.91941s) started
T25 >> 1462770410.94059610 LCAO forces (2814.53035s) started
T25 >> 1462770410.94096589 Initial (0.00081s) started
T25 << 1462770410.94097710 Initial (0.00082s) stopped
T25 >> 1462770410.94746900 Get density matrix (1313.93424s) started
T25 << 1462770420.34801507 Get density matrix (1323.33479s) stopped
T25 >> 1462770420.34806705 Potential (447.34856s) started
T25 << 1462770433.01407099 Potential (460.01457s) stopped
T25 >> 1462770433.01412511 Get density matrix (1323.33482s) started
T25 << 1462770460.19186902 Get density matrix (1350.51257s) stopped
T25 >> 1462770460.19192910 Prepare TCI loop (88.91716s) started
T25 >> 1462770460.19249201 Get neighbors (80.12147s) started
T25 << 1462770462.42897201 Get neighbors (82.35795s) stopped
T25 >> 1462770462.43010807 broadcast dH (8.74773s) started
T25 << 1462770462.90777993 broadcast dH (9.22540s) stopped
T25 << 1462770462.90782690 Prepare TCI loop (91.63306s) stopped
T25 >> 1462770462.90784502 Not so complicated loop (377.54177s) started
T25 << 1462770473.42970490 Not so complicated loop (388.06363s) stopped
T25 >> 1462770473.54498291 Complicated loop (582.12165s) started
T25 << 1462770489.94290805 Complicated loop (598.51957s) stopped
T25 >> 1462770489.94734693 Wait for sum (0.00388s) started
T25 << 1462770489.94743896 Wait for sum (0.00397s) stopped
T25 << 1462770489.94745398 LCAO forces (2893.53721s) stopped
T25 << 1462770499.18154311 Force calculation (3226.16044s) stopped
T25 >> 1462770499.20203900 Initialization (4771.05988s) started
T25 << 1462770499.20225310 Initialization (4771.06010s) stopped
T25 >> 1462770499.20252299 Initialization (4771.06011s) started
T25 << 1462770499.20268106 Initialization (4771.06027s) stopped
T25 >> 1462770499.20288801 Initialization (4771.06033s) started
T25 << 1462770499.20304704 Initialization (4771.06049s) stopped
T25 >> 1462770522.56163311 Initialization (4771.06052s) started
T25 >> 1462770522.68499207 Basic WFS set positions (5.08808s) started
T25 >> 1462770522.68501592 Redistribute (0.28560s) started
T25 << 1462770522.69117498 Redistribute (0.29176s) stopped
T25 << 1462770522.85573506 Basic WFS set positions (5.25882s) stopped
T25 >> 1462770522.85579705 Basis functions set positions (76.20847s) started
T25 << 1462770525.07218790 Basis functions set positions (78.42486s) stopped
T25 >> 1462770525.07778597 TCI: Calculate S, T, P (936.50618s) started
T25 << 1462770552.54428697 TCI: Calculate S, T, P (963.97268s) stopped
T25 >> 1462770552.54439092 blocked summation (975.48017s) started
T25 << 1462770584.97643399 blocked summation (1007.91221s) stopped
T25 >> 1462770584.99356508 Scalapack redistribute (10.29095s) started
T25 << 1462770585.42276597 Scalapack redistribute (10.72015s) stopped
T25 >> 1462770585.42385697 blocked summation (1007.91225s) started
T25 << 1462770586.84455991 blocked summation (1009.33295s) stopped
T25 >> 1462770586.85402703 Scalapack redistribute (10.72022s) started
T25 << 1462770586.98973107 Scalapack redistribute (10.85593s) stopped
T25 >> 1462770586.99205589 Redistribute (0.81745s) started
T25 << 1462770586.99337602 Redistribute (0.81877s) stopped
T25 >> 1462770589.08877301 Redistribute (0.81880s) started
T25 << 1462770589.09475207 Redistribute (0.82478s) stopped
T25 >> 1462770589.11486292 LCAO WFS Initialize (2676.23509s) started
T25 >> 1462770589.11489511 Density initialize from wavefunctions (533.06459s) started
T25 >> 1462770589.11936998 Calculate density matrix (362.98827s) started
T25 << 1462770599.22763205 Calculate density matrix (373.09653s) stopped
T25 >> 1462770599.22768998 Construct density (59.06531s) started
T25 << 1462770600.87727189 Construct density (60.71489s) stopped
T25 >> 1462770600.94387102 Symmetrize density (0.00281s) started
T25 << 1462770600.94392896 Symmetrize density (0.00287s) stopped
T25 << 1462770604.16044497 Density initialize from wavefunctions (548.11014s) stopped
T25 >> 1462770604.16145992 Hamiltonian (2142.12720s) started
T25 >> 1462770604.16149712 vbar (0.90889s) started
T25 << 1462770604.18772411 vbar (0.93512s) stopped
T25 >> 1462770604.18781304 XC 3D grid (1110.73314s) started
T25 >> 1462770604.69346690 van der Waals (1073.84272s) started
T25 >> 1462770604.82934594 semilocal (245.80049s) started
T25 << 1462770611.52628303 semilocal (252.49742s) stopped
T25 >> 1462770611.59448195 redistribute (112.90397s) started
T25 << 1462770612.85531592 redistribute (114.16481s) stopped
T25 >> 1462770612.85543108 libvdwxc nonlocal (707.62825s) started
T25 << 1462770632.07339001 libvdwxc nonlocal (726.84621s) stopped
T25 >> 1462770632.07344294 redistribute (114.16484s) started
T25 << 1462770633.67991710 redistribute (115.77131s) stopped
T25 << 1462770633.68204498 van der Waals (1102.83130s) stopped
T25 << 1462770634.16533899 XC 3D grid (1140.71066s) stopped
T25 >> 1462770634.16538000 Poisson (514.72312s) started
T25 << 1462770645.83646393 Poisson (526.39420s) stopped
T25 >> 1462770645.83656406 Hartree integrate/restrict (14.70896s) started
T25 << 1462770645.89211893 Hartree integrate/restrict (14.76452s) stopped
T25 >> 1462770645.89218307 Hartree integrate/restrict (14.76456s) started
T25 << 1462770646.23115492 Hartree integrate/restrict (15.10353s) stopped
T25 >> 1462770646.29000306 Atomic (475.66180s) started
T25 >> 1462770646.31160998 XC Correction (348.82700s) started
T25 << 1462770657.61398911 XC Correction (360.12938s) stopped
T25 << 1462770662.60353708 Atomic (491.97533s) stopped
T25 >> 1462770662.60397196 Communicate (23.12616s) started
T25 << 1462770662.60415292 Communicate (23.12634s) stopped
T25 << 1462770662.60417604 Hamiltonian (2200.56992s) stopped
T25 << 1462770662.60423708 LCAO WFS Initialize (2749.72446s) stopped
T25 << 1462770662.61673808 Initialization (4911.11562s) stopped
T25 >> 1462770662.64682102 SCF-cycle (65536.17040s) started
T25 >> 1462770662.64687610 LCAO eigensolver (22512.45867s) started
T25 >> 1462770662.64688897 Potential matrix (754.37320s) started
T25 << 1462770665.06388211 Potential matrix (756.79019s) stopped
T25 >> 1462770665.06397104 DistributedAtomicCorrection (317.69314s) started
T25 << 1462770666.16886997 DistributedAtomicCorrection (318.79804s) stopped
T25 >> 1462770666.16896296 Distribute overlap matrix (1756.73569s) started
T25 >> 1462770666.16898799 blocked summation (1718.40176s) started
T25 << 1462770672.04807401 blocked summation (1724.28085s) stopped
T25 >> 1462770672.05747890 Scalapack redistribute (35.32246s) started
T25 << 1462770672.20176005 Scalapack redistribute (35.46674s) stopped
T25 << 1462770672.20182109 Distribute overlap matrix (1762.76855s) stopped
T25 >> 1462770672.20797396 Blacs Orbital Layouts (18134.55966s) started
T25 >> 1462770672.21624899 General diagonalize (18058.11934s) started
T25 << 1462770730.89813304 General diagonalize (18116.80122s) stopped
T25 >> 1462770730.89818001 Redistribute coefs (6.20700s) started
T25 << 1462770730.92909503 Redistribute coefs (6.23791s) stopped
T25 >> 1462770730.92913508 Send coefs to domains (67.42052s) started
T25 << 1462770731.08446193 Send coefs to domains (67.57585s) stopped
T25 << 1462770731.08500290 Blacs Orbital Layouts (18193.43669s) stopped
T25 >> 1462770731.08503199 Calculate projections (1547.26195s) started
T25 << 1462770735.99429989 Calculate projections (1552.17122s) stopped
T25 << 1462770735.99470305 LCAO eigensolver (22585.80649s) stopped
T25 >> 1462770737.48902893 Density (4857.78629s) started
T25 >> 1462770737.48904490 Pseudo density (3970.95734s) started
T25 >> 1462770737.49084902 Calculate density matrix (3501.94108s) started
T25 << 1462770750.99796891 Calculate density matrix (3515.44820s) stopped
T25 >> 1462770750.99802804 Construct density (457.39799s) started
T25 << 1462770752.65291810 Construct density (459.05288s) stopped
T25 >> 1462770752.66686606 Symmetrize density (0.02211s) started
T25 << 1462770752.66693306 Symmetrize density (0.02218s) stopped
T25 << 1462770752.66931891 Pseudo density (3986.13761s) stopped
T25 >> 1462770752.66938210 Atomic density matrices (738.21244s) started
T25 << 1462770755.37383199 Atomic density matrices (740.91689s) stopped
T25 >> 1462770755.37388492 Multipole moments (2.72717s) started
T25 << 1462770755.38407898 Multipole moments (2.73736s) stopped
T25 >> 1462770755.38414311 Normalize (2.33475s) started
T25 << 1462770755.39320493 Normalize (2.34381s) stopped
T25 >> 1462770755.39325309 Mix (143.52166s) started
T25 << 1462770755.92625904 Mix (144.05466s) stopped
T25 << 1462770755.92631793 Density (4876.22358s) stopped
T25 >> 1462770755.92651200 Hamiltonian (37740.17060s) started
T25 >> 1462770755.92652702 vbar (7.73005s) started
T25 << 1462770755.94338107 vbar (7.74691s) stopped
T25 >> 1462770755.94348311 XC 3D grid (31988.73679s) started
T25 >> 1462770756.55110192 van der Waals (31710.54584s) started
T25 >> 1462770756.68678689 semilocal (22695.84984s) started
T25 << 1462770763.31311488 semilocal (22702.47616s) stopped
T25 >> 1462770763.43179202 redistribute (3621.61028s) started
T25 << 1462770764.85861397 redistribute (3623.03711s) stopped
T25 >> 1462770764.85873389 libvdwxc nonlocal (5333.87694s) started
T25 << 1462770784.27410793 libvdwxc nonlocal (5353.29231s) stopped
T25 >> 1462770784.27417493 redistribute (3623.03714s) started
T25 << 1462770786.08663201 redistribute (3624.84960s) stopped
T25 << 1462770786.08912802 van der Waals (31740.08387s) stopped
T25 << 1462770786.58726192 XC 3D grid (32019.38057s) stopped
T25 >> 1462770786.58731103 Poisson (2178.23112s) started
T25 << 1462770792.53851008 Poisson (2184.18232s) stopped
T25 >> 1462770792.53860807 Hartree integrate/restrict (108.88054s) started
T25 << 1462770792.58294201 Hartree integrate/restrict (108.92487s) stopped
T25 >> 1462770792.58308506 Hartree integrate/restrict (108.92498s) started
T25 << 1462770792.93333697 Hartree integrate/restrict (109.27524s) stopped
T25 >> 1462770792.99276090 Atomic (3053.88603s) started
T25 >> 1462770793.01460409 XC Correction (2315.47544s) started
T25 << 1462770804.48434305 XC Correction (2326.94518s) stopped
T25 << 1462770809.32689190 Atomic (3070.22017s) stopped
T25 >> 1462770809.32722712 Communicate (386.49896s) started
T25 << 1462770809.32746506 Communicate (386.49920s) stopped
T25 << 1462770809.32748795 Hamiltonian (37793.57157s) stopped
T25 >> 1462770809.32758904 LCAO eigensolver (22585.80651s) started
T25 >> 1462770809.32760406 Potential matrix (756.79025s) started
T25 << 1462770811.75085497 Potential matrix (759.21350s) stopped
T25 >> 1462770811.75095010 DistributedAtomicCorrection (318.79808s) started
T25 << 1462770812.83454490 DistributedAtomicCorrection (319.88167s) stopped
T25 >> 1462770812.83464098 Distribute overlap matrix (1762.76856s) started
T25 >> 1462770812.83466697 blocked summation (1724.28088s) started
T25 << 1462770818.73390198 blocked summation (1730.18012s) stopped
T25 >> 1462770818.74389696 Scalapack redistribute (35.46678s) started
T25 << 1462770818.84939289 Scalapack redistribute (35.57227s) stopped
T25 << 1462770818.84967709 Distribute overlap matrix (1768.78360s) stopped
T25 >> 1462770818.85536599 Blacs Orbital Layouts (18193.43671s) started
T25 >> 1462770818.86360788 General diagonalize (18116.80126s) started
T25 << 1462770878.80920100 General diagonalize (18176.74685s) stopped
T25 >> 1462770878.80925107 Redistribute coefs (6.23794s) started
T25 << 1462770878.82574105 Redistribute coefs (6.25443s) stopped
T25 >> 1462770878.82578897 Send coefs to domains (67.57588s) started
T25 << 1462770878.90762901 Send coefs to domains (67.65772s) stopped
T25 << 1462770878.90830112 Blacs Orbital Layouts (18253.48965s) stopped
T25 >> 1462770878.90844107 Calculate projections (1552.17128s) started
T25 << 1462770883.75276494 Calculate projections (1557.01560s) stopped
T25 << 1462770883.75317311 LCAO eigensolver (22660.23210s) stopped
T25 >> 1462770885.11569905 Density (4876.22359s) started
T25 >> 1462770885.11571407 Pseudo density (3986.13766s) started
T25 >> 1462770885.11716294 Calculate density matrix (3515.44824s) started
T25 << 1462770897.89198208 Calculate density matrix (3528.22306s) stopped
T25 >> 1462770897.89203691 Construct density (459.05294s) started
T25 << 1462770899.54172301 Construct density (460.70263s) stopped
T25 >> 1462770899.55469990 Symmetrize density (0.02219s) started
T25 << 1462770899.55475807 Symmetrize density (0.02225s) stopped
T25 << 1462770899.55684996 Pseudo density (4000.57880s) stopped
T25 >> 1462770899.55690694 Atomic density matrices (740.91691s) started
T25 << 1462770902.27702808 Atomic density matrices (743.63703s) stopped
T25 >> 1462770902.27708507 Multipole moments (2.73738s) started
T25 << 1462770902.28847909 Multipole moments (2.74877s) stopped
T25 >> 1462770902.28854203 Normalize (2.34384s) started
T25 << 1462770902.29537797 Normalize (2.35068s) stopped
T25 >> 1462770902.29547095 Mix (144.05472s) started
T25 << 1462770902.78622293 Mix (144.54547s) stopped
T25 << 1462770902.78629899 Density (4893.89419s) stopped
T25 >> 1462770902.78656602 Hamiltonian (37793.57158s) started
T25 >> 1462770902.78658509 vbar (7.74696s) started
T25 << 1462770902.81154990 vbar (7.77193s) stopped
T25 >> 1462770902.81169605 XC 3D grid (32019.38061s) started
T25 >> 1462770903.30545402 van der Waals (31740.08392s) started
T25 >> 1462770903.42241502 semilocal (22702.47629s) started
T25 << 1462770909.82336307 semilocal (22708.87724s) stopped
T25 >> 1462770909.94462991 redistribute (3624.84965s) started
T25 << 1462770911.48068094 redistribute (3626.38570s) stopped
T25 >> 1462770911.48072505 libvdwxc nonlocal (5353.29237s) started
T25 << 1462770930.67594004 libvdwxc nonlocal (5372.48758s) stopped
T25 >> 1462770930.67600203 redistribute (3626.38574s) started
T25 << 1462770932.29103804 redistribute (3628.00077s) stopped
T25 << 1462770932.29307103 van der Waals (31769.07153s) stopped
T25 << 1462770932.78156996 XC 3D grid (32049.35048s) stopped
T25 >> 1462770932.78161311 Poisson (2184.18238s) started
T25 << 1462770939.40740108 Poisson (2190.80817s) stopped
T25 >> 1462770939.40746307 Hartree integrate/restrict (109.27527s) started
T25 << 1462770939.46191502 Hartree integrate/restrict (109.32972s) stopped
T25 >> 1462770939.46201301 Hartree integrate/restrict (109.32979s) started
T25 << 1462770939.87144589 Hartree integrate/restrict (109.73922s) stopped
T25 >> 1462770939.92863297 Atomic (3070.22019s) started
T25 >> 1462770939.95014095 XC Correction (2326.94520s) started
T25 << 1462770950.93937397 XC Correction (2337.93444s) stopped
T25 << 1462770955.93833399 Atomic (3086.22989s) stopped
T25 >> 1462770955.93867707 Communicate (386.49921s) started
T25 << 1462770955.93879104 Communicate (386.49932s) stopped
T25 << 1462770955.93881392 Hamiltonian (37846.72383s) stopped
T25 >> 1462770955.93891597 LCAO eigensolver (22660.23212s) started
T25 >> 1462770955.93893194 Potential matrix (759.21355s) started
T25 << 1462770958.35986590 Potential matrix (761.63448s) stopped
T25 >> 1462770958.35995102 DistributedAtomicCorrection (319.88171s) started
T25 << 1462770959.47506595 DistributedAtomicCorrection (320.99683s) stopped
T25 >> 1462770959.47516203 Distribute overlap matrix (1768.78361s) started
T25 >> 1462770959.47518492 blocked summation (1730.18015s) started
T25 << 1462770965.36176205 blocked summation (1736.06673s) stopped
T25 >> 1462770965.37177992 Scalapack redistribute (35.57231s) started
T25 << 1462770965.47649789 Scalapack redistribute (35.67703s) stopped
T25 << 1462770965.47676396 Distribute overlap matrix (1774.78521s) stopped
T25 >> 1462770965.48175311 Blacs Orbital Layouts (18253.48967s) started
T25 >> 1462770965.49011207 General diagonalize (18176.74689s) started
T25 << 1462771027.60521102 General diagonalize (18238.86199s) stopped
T25 >> 1462771027.60525799 Redistribute coefs (6.25447s) started
T25 << 1462771027.62196898 Redistribute coefs (6.27118s) stopped
T25 >> 1462771027.62201095 Send coefs to domains (67.65775s) started
T25 << 1462771027.75405693 Send coefs to domains (67.78980s) stopped
T25 << 1462771027.75456691 Blacs Orbital Layouts (18315.76248s) stopped
T25 >> 1462771027.75460792 Calculate projections (1557.01565s) started
T25 << 1462771032.59641910 Calculate projections (1561.85747s) stopped
T25 << 1462771032.59676194 LCAO eigensolver (22736.88996s) stopped
T25 >> 1462771034.23875403 Density (4893.89421s) started
T25 >> 1462771034.23876905 Pseudo density (4000.57885s) started
T25 >> 1462771034.24030495 Calculate density matrix (3528.22309s) started
T25 << 1462771047.05881095 Calculate density matrix (3541.04160s) stopped
T25 >> 1462771047.05887008 Construct density (460.70268s) started
T25 << 1462771048.70732808 Construct density (462.35114s) stopped
T25 >> 1462771048.72001410 Symmetrize density (0.02227s) started
T25 << 1462771048.72007608 Symmetrize density (0.02233s) stopped
T25 << 1462771048.72214699 Pseudo density (4015.06222s) stopped
T25 >> 1462771048.72219896 Atomic density matrices (743.63706s) started
T25 << 1462771051.42526698 Atomic density matrices (746.34013s) stopped
T25 >> 1462771051.42531896 Multipole moments (2.74879s) started
T25 << 1462771051.43865204 Multipole moments (2.76212s) stopped
T25 >> 1462771051.43871307 Normalize (2.35075s) started
T25 << 1462771051.44541311 Normalize (2.35745s) stopped
T25 >> 1462771051.44549394 Mix (144.54555s) started
T25 << 1462771051.99640393 Mix (145.09646s) stopped
T25 << 1462771051.99646902 Density (4911.65193s) stopped
T25 >> 1462771051.99668908 Hamiltonian (37846.72384s) started
T25 >> 1462771051.99670506 vbar (7.77201s) started
T25 << 1462771052.01577401 vbar (7.79108s) stopped
T25 >> 1462771052.01586604 XC 3D grid (32049.35051s) started
T25 >> 1462771052.49360299 van der Waals (31769.07161s) started
T25 >> 1462771052.62182999 semilocal (22708.87735s) started
T25 << 1462771059.10580707 semilocal (22715.36132s) stopped
T25 >> 1462771059.19520092 redistribute (3628.00086s) started
T25 << 1462771060.47906804 redistribute (3629.28472s) stopped
T25 >> 1462771060.47918892 libvdwxc nonlocal (5372.48763s) started
T25 << 1462771079.51294088 libvdwxc nonlocal (5391.52138s) stopped
T25 >> 1462771079.51299810 redistribute (3629.28476s) started
T25 << 1462771081.13329697 redistribute (3630.90506s) stopped
T25 << 1462771081.13541198 van der Waals (31797.71342s) stopped
T25 << 1462771081.63051295 XC 3D grid (32078.96516s) stopped
T25 >> 1462771081.63055301 Poisson (2190.80822s) started
T25 << 1462771087.47753692 Poisson (2196.65520s) stopped
T25 >> 1462771087.47763705 Hartree integrate/restrict (109.73928s) started
T25 << 1462771087.52003908 Hartree integrate/restrict (109.78168s) stopped
T25 >> 1462771087.52014208 Hartree integrate/restrict (109.78175s) started
T25 << 1462771087.85821605 Hartree integrate/restrict (110.11982s) stopped
T25 >> 1462771087.91729689 Atomic (3086.22991s) started
T25 >> 1462771087.93885398 XC Correction (2337.93446s) started
T25 << 1462771098.63181710 XC Correction (2348.62743s) stopped
T25 << 1462771103.18263102 Atomic (3101.49525s) stopped
T25 >> 1462771103.18292308 Communicate (386.49934s) started
T25 << 1462771103.18316603 Communicate (386.49958s) stopped
T25 << 1462771103.18318892 Hamiltonian (37897.91034s) stopped
T25 >> 1462771103.18328810 LCAO eigensolver (22736.88998s) started
T25 >> 1462771103.18330312 Potential matrix (761.63453s) started
T25 << 1462771105.60132098 Potential matrix (764.05255s) stopped
T25 >> 1462771105.60142112 DistributedAtomicCorrection (320.99687s) started
T25 << 1462771106.70150089 DistributedAtomicCorrection (322.09695s) stopped
T25 >> 1462771106.70159888 Distribute overlap matrix (1774.78523s) started
T25 >> 1462771106.70162511 blocked summation (1736.06676s) started
T25 << 1462771112.66275311 blocked summation (1742.02789s) stopped
T25 >> 1462771112.67283201 Scalapack redistribute (35.67708s) started
T25 << 1462771112.82181406 Scalapack redistribute (35.82606s) stopped
T25 << 1462771112.82191706 Distribute overlap matrix (1780.90555s) stopped
T25 >> 1462771112.82681799 Blacs Orbital Layouts (18315.76250s) started
T25 >> 1462771112.83550692 General diagonalize (18238.86203s) started
T25 << 1462771171.45256996 General diagonalize (18297.47910s) stopped
T25 >> 1462771171.45262289 Redistribute coefs (6.27121s) started
T25 << 1462771171.47906590 Redistribute coefs (6.29766s) stopped
T25 >> 1462771171.47910500 Send coefs to domains (67.78985s) started
T25 << 1462771171.67064810 Send coefs to domains (67.98139s) stopped
T25 << 1462771171.67124009 Blacs Orbital Layouts (18374.60692s) stopped
T25 >> 1462771171.67129707 Calculate projections (1561.85751s) started
T25 << 1462771176.57684112 Calculate projections (1566.76306s) stopped
T25 << 1462771176.57717991 LCAO eigensolver (22810.28387s) stopped
T25 >> 1462771178.35911107 Density (4911.65194s) started
T25 >> 1462771178.35912609 Pseudo density (4015.06227s) started
T25 >> 1462771178.36178398 Calculate density matrix (3541.04164s) started
T25 << 1462771191.06699395 Calculate density matrix (3553.74685s) stopped
T25 >> 1462771191.06704998 Construct density (462.35119s) started
T25 << 1462771192.71591592 Construct density (464.00005s) stopped
T25 >> 1462771192.74233294 Symmetrize density (0.02235s) started
T25 << 1462771192.74239802 Symmetrize density (0.02241s) stopped
T25 << 1462771192.74479508 Pseudo density (4029.44793s) stopped
T25 >> 1462771192.74485493 Atomic density matrices (746.34016s) started
T25 << 1462771195.43222690 Atomic density matrices (749.02753s) stopped
T25 >> 1462771195.43227911 Multipole moments (2.76214s) started
T25 << 1462771195.44426298 Multipole moments (2.77413s) stopped
T25 >> 1462771195.44432497 Normalize (2.35751s) started
T25 << 1462771195.45580101 Normalize (2.36899s) stopped
T25 >> 1462771195.45589209 Mix (145.09652s) started
T25 << 1462771196.01668501 Mix (145.65731s) stopped
T25 << 1462771196.01675510 Density (4929.30958s) stopped
T25 >> 1462771196.01697993 Hamiltonian (37897.91035s) started
T25 >> 1462771196.01700091 vbar (7.79113s) started
T25 << 1462771196.03472209 vbar (7.80885s) stopped
T25 >> 1462771196.03480697 XC 3D grid (32078.96519s) started
T25 >> 1462771196.62678695 van der Waals (31797.71353s) started
T25 >> 1462771196.76162910 semilocal (22715.36140s) started
T25 << 1462771203.61591697 semilocal (22722.21569s) stopped
T25 >> 1462771203.70200610 redistribute (3630.90514s) started
T25 << 1462771293.51291203 redistribute (3720.71605s) stopped
T25 >> 1462771293.51303005 libvdwxc nonlocal (5391.52142s) started
T25 << 1462771312.05367994 libvdwxc nonlocal (5410.06207s) stopped
T25 >> 1462771312.05375195 redistribute (3720.71608s) started
T25 << 1462771313.93550491 redistribute (3722.59783s) stopped
T25 << 1462771313.93716192 van der Waals (31915.02391s) stopped
T25 << 1462771314.44101405 XC 3D grid (32197.37140s) stopped
T25 >> 1462771314.44107008 Poisson (2196.65527s) started
T25 << 1462771318.74423504 Poisson (2200.95844s) stopped
T25 >> 1462771318.74430108 Hartree integrate/restrict (110.11986s) started
T25 << 1462771318.78639889 Hartree integrate/restrict (110.16195s) stopped
T25 >> 1462771318.78656697 Hartree integrate/restrict (110.16208s) started
T25 << 1462771319.11864090 Hartree integrate/restrict (110.49415s) stopped
T25 >> 1462771319.19792795 Atomic (3101.49527s) started
T25 >> 1462771319.21956992 XC Correction (2348.62745s) started
T25 << 1462771329.93870807 XC Correction (2359.34659s) stopped
T25 << 1462771334.36815906 Atomic (3116.66550s) stopped
T25 >> 1462771334.36850595 Communicate (386.49959s) started
T25 << 1462771334.39211011 Communicate (386.52320s) stopped
T25 << 1462771334.39213395 Hamiltonian (38036.28551s) stopped
T25 >> 1462771334.39224100 LCAO eigensolver (22810.28389s) started
T25 >> 1462771334.39225602 Potential matrix (764.05261s) started
T25 << 1462771336.81272411 Potential matrix (766.47307s) stopped
T25 >> 1462771336.81282401 DistributedAtomicCorrection (322.09699s) started
T25 << 1462771337.92267299 DistributedAtomicCorrection (323.20684s) stopped
T25 >> 1462771337.92277098 Distribute overlap matrix (1780.90556s) started
T25 >> 1462771337.92279792 blocked summation (1742.02792s) started
T25 << 1462771343.77803612 blocked summation (1747.88316s) stopped
T25 >> 1462771343.78742695 Scalapack redistribute (35.82612s) started
T25 << 1462771343.89116001 Scalapack redistribute (35.92986s) stopped
T25 << 1462771343.89124894 Distribute overlap matrix (1786.87404s) stopped
T25 >> 1462771343.89659810 Blacs Orbital Layouts (18374.60694s) started
T25 >> 1462771343.90496302 General diagonalize (18297.47914s) started
T25 << 1462771399.77189994 General diagonalize (18353.34608s) stopped
T25 >> 1462771399.77194500 Redistribute coefs (6.29769s) started
T25 << 1462771399.79889703 Redistribute coefs (6.32464s) stopped
T25 >> 1462771399.79893589 Send coefs to domains (67.98143s) started
T25 << 1462771399.93843293 Send coefs to domains (68.12092s) stopped
T25 << 1462771399.93902302 Blacs Orbital Layouts (18430.64937s) stopped
T25 >> 1462771399.93908191 Calculate projections (1566.76311s) started
T25 << 1462771404.84341002 Calculate projections (1571.66744s) stopped
T25 << 1462771404.84359193 LCAO eigensolver (22880.73524s) stopped
T25 >> 1462771407.32128310 Density (4929.30960s) started
T25 >> 1462771407.32129693 Pseudo density (4029.44798s) started
T25 >> 1462771407.32395411 Calculate density matrix (3553.74689s) started
T25 << 1462771419.99988389 Calculate density matrix (3566.42282s) stopped
T25 >> 1462771419.99993801 Construct density (464.00011s) started
T25 << 1462771421.65688491 Construct density (465.65706s) stopped
T25 >> 1462771421.70883894 Symmetrize density (0.02243s) started
T25 << 1462771421.70890188 Symmetrize density (0.02249s) stopped
T25 << 1462771421.71129894 Pseudo density (4043.83798s) stopped
T25 >> 1462771421.71135807 Atomic density matrices (749.02755s) started
T25 << 1462771424.36267710 Atomic density matrices (751.67887s) stopped
T25 >> 1462771424.36273098 Multipole moments (2.77414s) started
T25 << 1462771424.37336206 Multipole moments (2.78477s) stopped
T25 >> 1462771424.37342501 Normalize (2.36906s) started
T25 << 1462771424.38385391 Normalize (2.37949s) stopped
T25 >> 1462771424.38390303 Mix (145.65738s) started
T25 << 1462771424.90821409 Mix (146.18169s) stopped
T25 << 1462771424.90830588 Density (4946.89662s) stopped
T25 >> 1462771424.90865707 Hamiltonian (38036.28552s) started
T25 >> 1462771424.90873909 vbar (7.80890s) started
T25 << 1462771424.94457793 vbar (7.84474s) stopped
T25 >> 1462771424.94472098 XC 3D grid (32197.37144s) started
T25 >> 1462771425.42811608 van der Waals (31915.02397s) started
T25 >> 1462771425.56460905 semilocal (22722.21578s) started
T25 << 1462772045.75615001 semilocal (23342.40732s) stopped
T25 >> 1462772045.85598111 redistribute (3722.59791s) started
T25 << 1462772047.06292605 redistribute (3723.80485s) stopped
T25 >> 1462772047.06306410 libvdwxc nonlocal (5410.06213s) started
T25 << 1462772065.93396497 libvdwxc nonlocal (5428.93303s) stopped
T25 >> 1462772065.93405604 redistribute (3723.80490s) started
T25 << 1462772067.84600902 redistribute (3725.71685s) stopped
T25 << 1462772067.84768891 van der Waals (32557.44354s) stopped
T25 << 1462772068.35954404 XC 3D grid (32840.78627s) stopped
T25 >> 1462772068.35958505 Poisson (2200.95849s) started
T25 << 1462772073.24672699 Poisson (2205.84563s) stopped
T25 >> 1462772073.24682593 Hartree integrate/restrict (110.49421s) started
T25 << 1462772073.28039002 Hartree integrate/restrict (110.52778s) stopped
T25 >> 1462772073.28044605 Hartree integrate/restrict (110.52781s) started
T25 << 1462772073.65075898 Hartree integrate/restrict (110.89812s) stopped
T25 >> 1462772073.72351193 Atomic (3116.66552s) started
T25 >> 1462772073.74559212 XC Correction (2359.34662s) started
T25 << 1462772084.47869396 XC Correction (2370.07972s) stopped
T25 << 1462772088.81052494 Atomic (3131.75253s) stopped
T25 >> 1462772088.81087804 Communicate (386.52321s) started
T25 << 1462772089.09158301 Communicate (386.80392s) stopped
T25 << 1462772089.09160900 Hamiltonian (38700.46847s) stopped
T25 >> 1462772089.09172606 LCAO eigensolver (22880.73526s) started
T25 >> 1462772089.09174204 Potential matrix (766.47313s) started
T25 << 1462772091.51961589 Potential matrix (768.90101s) stopped
T25 >> 1462772091.51972103 DistributedAtomicCorrection (323.20688s) started
T25 << 1462772092.62446094 DistributedAtomicCorrection (324.31162s) stopped
T25 >> 1462772092.62455797 Distribute overlap matrix (1786.87405s) started
T25 >> 1462772092.62458396 blocked summation (1747.88319s) started
T25 << 1462772098.53665495 blocked summation (1753.79526s) stopped
T25 >> 1462772098.54581404 Scalapack redistribute (35.92991s) started
T25 << 1462772098.67970204 Scalapack redistribute (36.06380s) stopped
T25 << 1462772098.68002510 Distribute overlap matrix (1792.92952s) stopped
T25 >> 1462772098.68653703 Blacs Orbital Layouts (18430.64939s) started
T25 >> 1462772098.69538498 General diagonalize (18353.34612s) started
T25 << 1462772161.47267509 General diagonalize (18416.12341s) stopped
T25 >> 1462772161.47274399 Redistribute coefs (6.32467s) started
T25 << 1462772161.48929811 Redistribute coefs (6.34122s) stopped
T25 >> 1462772161.48934007 Send coefs to domains (68.12096s) started
T25 << 1462772161.84029007 Send coefs to domains (68.47191s) stopped
T25 << 1462772161.84088993 Blacs Orbital Layouts (18493.80374s) stopped
T25 >> 1462772161.84094906 Calculate projections (1571.66750s) started
T25 << 1462772166.75894308 Calculate projections (1576.58549s) stopped
T25 << 1462772166.75913692 LCAO eigensolver (22958.40267s) stopped
T25 << 1462772169.21498799 SCF-cycle (67042.73857s) stopped
T25 >> 1462772172.06339598 Force calculation (3226.16046s) started
T25 >> 1462772172.06347203 LCAO forces (2893.53722s) started
T25 >> 1462772172.06385303 Initial (0.00083s) started
T25 << 1462772172.06386399 Initial (0.00084s) stopped
T25 >> 1462772172.07032394 Get density matrix (1350.51260s) started
T25 << 1462772181.46465302 Get density matrix (1359.90693s) stopped
T25 >> 1462772181.46469688 Potential (460.01460s) started
T25 << 1462772193.97679901 Potential (472.52671s) stopped
T25 >> 1462772193.97685790 Get density matrix (1359.90696s) started
T25 << 1462772221.05355406 Get density matrix (1386.98366s) stopped
T25 >> 1462772221.05361795 Prepare TCI loop (91.63307s) started
T25 >> 1462772221.05421710 Get neighbors (82.35801s) started
T25 << 1462772223.29457808 Get neighbors (84.59837s) stopped
T25 >> 1462772223.29550791 broadcast dH (9.22543s) started
T25 << 1462772223.54238105 broadcast dH (9.47230s) stopped
T25 << 1462772223.54243112 Prepare TCI loop (94.12189s) stopped
T25 >> 1462772223.54244995 Not so complicated loop (388.06366s) started
T25 << 1462772234.22107291 Not so complicated loop (398.74229s) stopped
T25 >> 1462772234.33911610 Complicated loop (598.51961s) started
T25 << 1462772250.65550995 Complicated loop (614.83600s) stopped
T25 >> 1462772250.65874600 Wait for sum (0.00398s) started
T25 << 1462772250.65883398 Wait for sum (0.00407s) stopped
T25 << 1462772250.65884805 LCAO forces (2972.13259s) stopped
T25 << 1462772259.89343691 Force calculation (3313.99050s) stopped
T25 >> 1462772259.91434503 Initialization (4911.11564s) started
T25 << 1462772259.91459394 Initialization (4911.11589s) stopped
T25 >> 1462772259.91488600 Initialization (4911.11591s) started
T25 << 1462772259.91505003 Initialization (4911.11607s) stopped
T25 >> 1462772259.91520405 Initialization (4911.11609s) started
T25 << 1462772259.91536307 Initialization (4911.11625s) stopped
T25 >> 1462772283.19236302 Initialization (4911.11627s) started
T25 >> 1462772283.62368011 Basic WFS set positions (5.25885s) started
T25 >> 1462772283.62370491 Redistribute (0.29178s) started
T25 << 1462772283.62597799 Redistribute (0.29405s) stopped
T25 << 1462772283.78850007 Basic WFS set positions (5.42367s) stopped
T25 >> 1462772283.78855395 Basis functions set positions (78.42489s) started
T25 << 1462772286.01162791 Basis functions set positions (80.64796s) stopped
T25 >> 1462772286.02019095 TCI: Calculate S, T, P (963.97271s) started
T25 << 1462772314.17140388 TCI: Calculate S, T, P (992.12393s) stopped
T25 >> 1462772314.17151499 blocked summation (1009.33299s) started
T25 << 1462772347.30268788 blocked summation (1042.46416s) stopped
T25 >> 1462772347.31541491 Scalapack redistribute (10.85597s) started
T25 << 1462772347.43333912 Scalapack redistribute (10.97390s) stopped
T25 >> 1462772347.43430996 blocked summation (1042.46420s) started
T25 << 1462772348.79435992 blocked summation (1043.82425s) stopped
T25 >> 1462772348.80385303 Scalapack redistribute (10.97396s) started
T25 << 1462772348.91051006 Scalapack redistribute (11.08061s) stopped
T25 >> 1462772348.91374302 Redistribute (0.82485s) started
T25 << 1462772348.91508007 Redistribute (0.82619s) stopped
T25 >> 1462772350.99857497 Redistribute (0.82621s) started
T25 << 1462772351.00278807 Redistribute (0.83042s) stopped
T25 >> 1462772351.02859592 LCAO WFS Initialize (2749.72447s) started
T25 >> 1462772351.02862310 Density initialize from wavefunctions (548.11022s) started
T25 >> 1462772351.03160691 Calculate density matrix (373.09657s) started
T25 << 1462772361.07228708 Calculate density matrix (383.13725s) stopped
T25 >> 1462772361.07234311 Construct density (60.71495s) started
T25 << 1462772362.72707605 Construct density (62.36968s) stopped
T25 >> 1462772362.74008298 Symmetrize density (0.00289s) started
T25 << 1462772362.74014497 Symmetrize density (0.00295s) stopped
T25 << 1462772365.78817105 Density initialize from wavefunctions (562.86977s) stopped
T25 >> 1462772365.78914595 Hamiltonian (2200.56993s) started
T25 >> 1462772365.78917193 vbar (0.93516s) started
T25 << 1462772365.81728292 vbar (0.96327s) stopped
T25 >> 1462772365.81744289 XC 3D grid (1140.71070s) started
T25 >> 1462772366.32043791 van der Waals (1102.83142s) started
T25 >> 1462772366.45632100 semilocal (252.49747s) started
T25 << 1462772373.86586595 semilocal (259.90701s) stopped
T25 >> 1462772373.92844796 redistribute (115.77141s) started
T25 << 1462772374.89944911 redistribute (116.74241s) stopped
T25 >> 1462772374.89956188 libvdwxc nonlocal (726.84624s) started
T25 << 1462772393.89455295 libvdwxc nonlocal (745.84123s) stopped
T25 >> 1462772393.89463592 redistribute (116.74244s) started
T25 << 1462772395.92884707 redistribute (118.77665s) stopped
T25 << 1462772395.93070292 van der Waals (1132.44168s) stopped
T25 << 1462772396.41304398 XC 3D grid (1171.30630s) stopped
T25 >> 1462772396.41308594 Poisson (526.39428s) started
T25 << 1462772408.58223701 Poisson (538.56343s) stopped
T25 >> 1462772408.58231997 Hartree integrate/restrict (15.10357s) started
T25 << 1462772408.61754298 Hartree integrate/restrict (15.13879s) stopped
T25 >> 1462772408.61761189 Hartree integrate/restrict (15.13884s) started
T25 << 1462772408.98415494 Hartree integrate/restrict (15.50538s) stopped
T25 >> 1462772409.04428411 Atomic (491.97536s) started
T25 >> 1462772409.06710911 XC Correction (360.12940s) started
T25 << 1462772420.40110111 XC Correction (371.46339s) stopped
T25 << 1462772425.69646406 Atomic (508.62754s) stopped
T25 >> 1462772425.69682693 Communicate (23.12635s) started
T25 << 1462772425.69705105 Communicate (23.12658s) stopped
T25 << 1462772425.69707799 Hamiltonian (2260.47787s) stopped
T25 << 1462772425.69713712 LCAO WFS Initialize (2824.39302s) stopped
T25 << 1462772425.70941305 Initialization (5053.63332s) stopped
T25 >> 1462772425.73932505 SCF-cycle (67042.73859s) started
T25 >> 1462772425.73938203 LCAO eigensolver (22958.40269s) started
T25 >> 1462772425.73939610 Potential matrix (768.90107s) started
T25 << 1462772428.15981889 Potential matrix (771.32149s) stopped
T25 >> 1462772428.15990710 DistributedAtomicCorrection (324.31166s) started
T25 << 1462772429.23944712 DistributedAtomicCorrection (325.39120s) stopped
T25 >> 1462772429.23953795 Distribute overlap matrix (1792.92953s) started
T25 >> 1462772429.23956108 blocked summation (1753.79530s) started
T25 << 1462772435.00994897 blocked summation (1759.56568s) stopped
T25 >> 1462772435.01920605 Scalapack redistribute (36.06386s) started
T25 << 1462772435.13446593 Scalapack redistribute (36.17912s) stopped
T25 << 1462772435.13479996 Distribute overlap matrix (1798.82480s) stopped
T25 >> 1462772435.13999701 Blacs Orbital Layouts (18493.80376s) started
T25 >> 1462772435.14831305 General diagonalize (18416.12346s) started
T25 << 1462772494.18208599 General diagonalize (18475.15724s) stopped
T25 >> 1462772494.18213511 Redistribute coefs (6.34125s) started
T25 << 1462772494.20811105 Redistribute coefs (6.36723s) stopped
T25 >> 1462772494.20815110 Send coefs to domains (68.47194s) started
T25 << 1462772494.39587402 Send coefs to domains (68.65967s) stopped
T25 << 1462772494.39657092 Blacs Orbital Layouts (18553.06033s) stopped
T25 >> 1462772494.39660096 Calculate projections (1576.58555s) started
T25 << 1462772499.34797001 Calculate projections (1581.53692s) stopped
T25 << 1462772499.34839511 LCAO eigensolver (23032.01170s) stopped
T25 >> 1462772500.60571790 Density (4946.89664s) started
T25 >> 1462772500.60573196 Pseudo density (4043.83803s) started
T25 >> 1462772500.60696912 Calculate density matrix (3566.42285s) started
T25 << 1462772513.41348100 Calculate density matrix (3579.22936s) stopped
T25 >> 1462772513.41354108 Construct density (465.65711s) started
T25 << 1462772515.06144094 Construct density (467.30501s) stopped
T25 >> 1462772515.10239410 Symmetrize density (0.02251s) started
T25 << 1462772515.10245705 Symmetrize density (0.02257s) stopped
T25 << 1462772515.10455704 Pseudo density (4058.33686s) stopped
T25 >> 1462772515.10461998 Atomic density matrices (751.67890s) started
T25 << 1462772517.77842212 Atomic density matrices (754.35270s) stopped
T25 >> 1462772517.77847600 Multipole moments (2.78479s) started
T25 << 1462772517.81106305 Multipole moments (2.81738s) stopped
T25 >> 1462772517.81128907 Normalize (2.37953s) started
T25 << 1462772517.81701303 Normalize (2.38525s) stopped
T25 >> 1462772517.81705904 Mix (146.18178s) started
T25 << 1462772518.25882196 Mix (146.62354s) stopped
T25 << 1462772518.25891089 Density (4964.54983s) stopped
T25 >> 1462772518.25921297 Hamiltonian (38700.46848s) started
T25 >> 1462772518.25923491 vbar (7.84482s) started
T25 << 1462772518.28108096 vbar (7.86666s) stopped
T25 >> 1462772518.28119111 XC 3D grid (32840.78630s) started
T25 >> 1462772518.83523989 van der Waals (32557.44360s) started
T25 >> 1462772518.96325302 semilocal (23342.40743s) started
T25 << 1462772525.61159801 semilocal (23349.05577s) stopped
T25 >> 1462772525.72143006 redistribute (3725.71693s) started
T25 << 1462772527.04981589 redistribute (3727.04532s) stopped
T25 >> 1462772527.04993200 libvdwxc nonlocal (5428.93310s) started
T25 << 1462772546.00208402 libvdwxc nonlocal (5447.88525s) stopped
T25 >> 1462772546.00213909 redistribute (3727.04535s) started
T25 << 1462772547.95202208 redistribute (3728.99524s) stopped
T25 << 1462772547.95430303 van der Waals (32586.56266s) stopped
T25 << 1462772548.46500301 XC 3D grid (32870.97011s) stopped
T25 >> 1462772548.46505308 Poisson (2205.84570s) started
T25 << 1462772554.36227298 Poisson (2211.74292s) stopped
T25 >> 1462772554.36239696 Hartree integrate/restrict (110.89817s) started
T25 << 1462772554.40131903 Hartree integrate/restrict (110.93710s) stopped
T25 >> 1462772554.40147996 Hartree integrate/restrict (110.93721s) started
T25 << 1462772554.77047610 Hartree integrate/restrict (111.30620s) stopped
T25 >> 1462772554.83086109 Atomic (3131.75256s) started
T25 >> 1462772554.85351706 XC Correction (2370.07976s) started
T25 << 1462772566.16016793 XC Correction (2381.38641s) stopped
T25 << 1462772571.49557090 Atomic (3148.41727s) stopped
T25 >> 1462772571.49592209 Communicate (386.80394s) started
T25 << 1462772571.49604106 Communicate (386.80405s) stopped
T25 << 1462772571.49606609 Hamiltonian (38753.70534s) stopped
T25 >> 1462772571.49616790 LCAO eigensolver (23032.01172s) started
T25 >> 1462772571.49618196 Potential matrix (771.32154s) started
T25 << 1462772573.92080498 Potential matrix (773.74616s) stopped
T25 >> 1462772573.92089295 DistributedAtomicCorrection (325.39124s) started
T25 << 1462772575.03244805 DistributedAtomicCorrection (326.50279s) stopped
T25 >> 1462772575.03254509 Distribute overlap matrix (1798.82481s) started
T25 >> 1462772575.03256798 blocked summation (1759.56572s) started
T25 << 1462772580.94613600 blocked summation (1765.47929s) stopped
T25 >> 1462772580.95549893 Scalapack redistribute (36.17942s) started
T25 << 1462772581.07329702 Scalapack redistribute (36.29722s) stopped
T25 << 1462772581.07337809 Distribute overlap matrix (1804.86564s) stopped
T25 >> 1462772581.07877302 Blacs Orbital Layouts (18553.06035s) started
T25 >> 1462772581.08714890 General diagonalize (18475.15728s) started
T25 << 1462772641.99712491 General diagonalize (18536.06725s) stopped
T25 >> 1462772641.99717212 Redistribute coefs (6.36726s) started
T25 << 1462772642.01757312 Redistribute coefs (6.38766s) stopped
T25 >> 1462772642.01761103 Send coefs to domains (68.65970s) started
T25 << 1462772642.33296990 Send coefs to domains (68.97506s) stopped
T25 << 1462772642.33371091 Blacs Orbital Layouts (18614.31529s) stopped
T25 >> 1462772642.33375001 Calculate projections (1581.53698s) started
T25 << 1462772647.28967309 Calculate projections (1586.49291s) stopped
T25 << 1462772647.28989005 LCAO eigensolver (23107.80544s) stopped
T25 >> 1462772648.58710408 Density (4964.54984s) started
T25 >> 1462772648.58711910 Pseudo density (4058.33691s) started
T25 >> 1462772648.58858299 Calculate density matrix (3579.22940s) started
T25 << 1462772661.36532688 Calculate density matrix (3592.00615s) stopped
T25 >> 1462772661.36538410 Construct density (467.30507s) started
T25 << 1462772663.01060295 Construct density (468.95029s) stopped
T25 >> 1462772663.02303696 Symmetrize density (0.02259s) started
T25 << 1462772663.02309990 Symmetrize density (0.02265s) stopped
T25 << 1462772663.02526498 Pseudo density (4072.77505s) stopped
T25 >> 1462772663.02532601 Atomic density matrices (754.35272s) started
T25 << 1462772665.72884202 Atomic density matrices (757.05624s) stopped
T25 >> 1462772665.72889590 Multipole moments (2.81741s) started
T25 << 1462772665.73940802 Multipole moments (2.82792s) stopped
T25 >> 1462772665.73947191 Normalize (2.38528s) started
T25 << 1462772665.74719691 Normalize (2.39301s) stopped
T25 >> 1462772665.74725103 Mix (146.62363s) started
T25 << 1462772666.20121002 Mix (147.07759s) stopped
T25 << 1462772666.20129800 Density (4982.16404s) stopped
T25 >> 1462772666.20162201 Hamiltonian (38753.70535s) started
T25 >> 1462772666.20164299 vbar (7.86672s) started
T25 << 1462772666.23374200 vbar (7.89882s) stopped
T25 >> 1462772666.23392296 XC 3D grid (32870.97015s) started
T25 >> 1462772666.73088408 van der Waals (32586.56278s) started
T25 >> 1462772666.86174798 semilocal (23349.05585s) started
T25 << 1462772673.73474407 semilocal (23355.92884s) stopped
T25 >> 1462772673.81379390 redistribute (3728.99532s) started
T25 << 1462772674.95441103 redistribute (3730.13594s) stopped
T25 >> 1462772674.95452499 libvdwxc nonlocal (5447.88529s) started
T25 << 1462772694.09829807 libvdwxc nonlocal (5467.02907s) stopped
T25 >> 1462772694.09835505 redistribute (3730.13597s) started
T25 << 1462772696.16712403 redistribute (3732.20474s) stopped
T25 << 1462772696.16877699 van der Waals (32616.00067s) stopped
T25 << 1462772696.65809703 XC 3D grid (32901.39432s) stopped
T25 >> 1462772696.65814090 Poisson (2211.74302s) started
T25 << 1462772702.69395804 Poisson (2217.77883s) stopped
T25 >> 1462772702.69404197 Hartree integrate/restrict (111.30624s) started
T25 << 1462772702.73522997 Hartree integrate/restrict (111.34743s) stopped
T25 >> 1462772702.73540497 Hartree integrate/restrict (111.34755s) started
T25 << 1462772703.07986808 Hartree integrate/restrict (111.69202s) stopped
T25 >> 1462772703.14251208 Atomic (3148.41729s) started
T25 >> 1462772703.16518497 XC Correction (2381.38644s) started
T25 << 1462772713.98128390 XC Correction (2392.20254s) stopped
T25 << 1462772719.36956406 Atomic (3164.64434s) stopped
T25 >> 1462772719.36981392 Communicate (386.80407s) started
T25 << 1462772719.37106109 Communicate (386.80532s) stopped
T25 << 1462772719.37108397 Hamiltonian (38806.87481s) stopped
T25 >> 1462772719.37118101 LCAO eigensolver (23107.80546s) started
T25 >> 1462772719.37119603 Potential matrix (773.74621s) started
T25 << 1462772721.78082108 Potential matrix (776.15584s) stopped
T25 >> 1462772721.78092003 DistributedAtomicCorrection (326.50283s) started
T25 << 1462772722.83760810 DistributedAtomicCorrection (327.55952s) stopped
T25 >> 1462772722.83770490 Distribute overlap matrix (1804.86566s) started
T25 >> 1462772722.83773088 blocked summation (1765.47932s) started
T25 << 1462772728.81951904 blocked summation (1771.46111s) stopped
T25 >> 1462772728.82824492 Scalapack redistribute (36.29728s) started
T25 << 1462772728.93308997 Scalapack redistribute (36.40212s) stopped
T25 << 1462772728.93320799 Distribute overlap matrix (1810.96116s) stopped
T25 >> 1462772728.94053197 Blacs Orbital Layouts (18614.31531s) started
T25 >> 1462772728.94904399 General diagonalize (18536.06729s) started
T25 << 1462772789.84401393 General diagonalize (18596.96226s) stopped
T25 >> 1462772789.84406900 Redistribute coefs (6.38769s) started
T25 << 1462772789.86559391 Redistribute coefs (6.40922s) stopped
T25 >> 1462772789.86564589 Send coefs to domains (68.97510s) started
T25 << 1462772789.95783401 Send coefs to domains (69.06729s) stopped
T25 << 1462772789.95846510 Blacs Orbital Layouts (18675.33324s) stopped
T25 >> 1462772789.95850611 Calculate projections (1586.49296s) started
T25 << 1462772794.89408398 Calculate projections (1591.42854s) stopped
T25 << 1462772794.89430094 LCAO eigensolver (23183.32858s) stopped
T25 >> 1462772796.19368291 Density (4982.16406s) started
T25 >> 1462772796.19369793 Pseudo density (4072.77510s) started
T25 >> 1462772796.19648600 Calculate density matrix (3592.00618s) started
T25 << 1462772809.10758710 Calculate density matrix (3604.91729s) stopped
T25 >> 1462772809.10765505 Construct density (468.95034s) started
T25 << 1462772810.75734210 Construct density (470.60003s) stopped
T25 >> 1462772810.77133894 Symmetrize density (0.02267s) started
T25 << 1462772810.77139711 Symmetrize density (0.02273s) stopped
T25 << 1462772810.77374601 Pseudo density (4087.35515s) stopped
T25 >> 1462772810.77379894 Atomic density matrices (757.05626s) started
T25 << 1462772813.48760295 Atomic density matrices (759.77007s) stopped
T25 >> 1462772813.48765707 Multipole moments (2.82794s) started
T25 << 1462772813.50036907 Multipole moments (2.84065s) stopped
T25 >> 1462772813.50043106 Normalize (2.39305s) started
T25 << 1462772813.51392508 Normalize (2.40654s) stopped
T25 >> 1462772813.51398993 Mix (147.07767s) started
T25 << 1462772814.05421209 Mix (147.61789s) stopped
T25 << 1462772814.05430388 Density (5000.02468s) stopped
T25 >> 1462772814.05460811 Hamiltonian (38806.87482s) started
T25 >> 1462772814.05462790 vbar (7.89894s) started
T25 << 1462772814.07780910 vbar (7.92212s) stopped
T25 >> 1462772814.07792401 XC 3D grid (32901.39436s) started
T25 >> 1462772814.59435105 van der Waals (32616.00076s) started
T25 >> 1462772814.72508097 semilocal (23355.92889s) started
T25 << 1462772821.89850998 semilocal (23363.10232s) stopped
T25 >> 1462772821.96111107 redistribute (3732.20486s) started
T25 << 1462772822.87275600 redistribute (3733.11650s) stopped
T25 >> 1462772822.87287307 libvdwxc nonlocal (5467.02911s) started
T25 << 1462772841.95605111 libvdwxc nonlocal (5486.11229s) stopped
T25 >> 1462772841.95610690 redistribute (3733.11653s) started
T25 << 1462772843.99745798 redistribute (3735.15789s) stopped
T25 << 1462772843.99964499 van der Waals (32645.40606s) stopped
T25 << 1462772844.49529791 XC 3D grid (32931.81173s) stopped
T25 >> 1462772844.49533796 Poisson (2217.77889s) started
T25 << 1462772850.91896796 Poisson (2224.20252s) stopped
T25 >> 1462772850.91908193 Hartree integrate/restrict (111.69205s) started
T25 << 1462772850.97704506 Hartree integrate/restrict (111.75002s) stopped
T25 >> 1462772850.97713399 Hartree integrate/restrict (111.75008s) started
T25 << 1462772851.30750299 Hartree integrate/restrict (112.08045s) stopped
T25 >> 1462772851.36835599 Atomic (3164.64436s) started
T25 >> 1462772851.39070106 XC Correction (2392.20256s) started
T25 << 1462772862.00534511 XC Correction (2402.81720s) stopped
T25 << 1462772866.79029202 Atomic (3180.06630s) stopped
T25 >> 1462772866.79062390 Communicate (386.80533s) started
T25 << 1462772866.79074192 Communicate (386.80545s) stopped
T25 << 1462772866.79076600 Hamiltonian (38859.61098s) stopped
T25 >> 1462772866.79086494 LCAO eigensolver (23183.32860s) started
T25 >> 1462772866.79087996 Potential matrix (776.15589s) started
T25 << 1462772869.21863008 Potential matrix (778.58364s) stopped
T25 >> 1462772869.21871901 DistributedAtomicCorrection (327.55956s) started
T25 << 1462772870.31501794 DistributedAtomicCorrection (328.65586s) stopped
T25 >> 1462772870.31511497 Distribute overlap matrix (1810.96117s) started
T25 >> 1462772870.31513906 blocked summation (1771.46114s) started
T25 << 1462772876.19819093 blocked summation (1777.34419s) stopped
T25 >> 1462772876.20679498 Scalapack redistribute (36.40219s) started
T25 << 1462772876.33105111 Scalapack redistribute (36.52645s) stopped
T25 << 1462772876.33114409 Distribute overlap matrix (1816.97720s) stopped
T25 >> 1462772876.33658004 Blacs Orbital Layouts (18675.33326s) started
T25 >> 1462772876.34433293 General diagonalize (18596.96230s) started
T25 << 1462772933.00481510 General diagonalize (18653.62279s) stopped
T25 >> 1462772933.00486398 Redistribute coefs (6.40926s) started
T25 << 1462772933.02200198 Redistribute coefs (6.42639s) stopped
T25 >> 1462772933.02204895 Send coefs to domains (69.06734s) started
T25 << 1462772933.13458991 Send coefs to domains (69.17988s) stopped
T25 << 1462772933.13521194 Blacs Orbital Layouts (18732.13189s) stopped
T25 >> 1462772933.13525200 Calculate projections (1591.42859s) started
T25 << 1462772938.07332706 Calculate projections (1596.36667s) stopped
T25 << 1462772938.07352090 LCAO eigensolver (23254.61125s) stopped
T25 >> 1462772939.38169098 Density (5000.02469s) started
T25 >> 1462772939.38170600 Pseudo density (4087.35519s) started
T25 >> 1462772939.38368297 Calculate density matrix (3604.91733s) started
T25 << 1462772952.23673105 Calculate density matrix (3617.77038s) stopped
T25 >> 1462772952.23679304 Construct density (470.60008s) started
T25 << 1462772953.89110398 Construct density (472.25440s) stopped
T25 >> 1462772953.90510893 Symmetrize density (0.02274s) started
T25 << 1462772953.90516591 Symmetrize density (0.02280s) stopped
T25 << 1462772953.90751505 Pseudo density (4101.88100s) stopped
T25 >> 1462772953.90756893 Atomic density matrices (759.77009s) started
T25 << 1462772956.62333894 Atomic density matrices (762.48586s) stopped
T25 >> 1462772956.62339401 Multipole moments (2.84067s) started
T25 << 1462772956.63529706 Multipole moments (2.85257s) stopped
T25 >> 1462772956.63535690 Normalize (2.40659s) started
T25 << 1462772956.64780903 Normalize (2.41904s) stopped
T25 >> 1462772956.64789391 Mix (147.61798s) started
T25 << 1462772957.17560005 Mix (148.14569s) stopped
T25 << 1462772957.17571211 Density (5017.81871s) stopped
T25 >> 1462772957.17608190 Hamiltonian (38859.61100s) started
T25 >> 1462772957.17610788 vbar (7.92218s) started
T25 << 1462772957.20305705 vbar (7.94913s) stopped
T25 >> 1462772957.20320511 XC 3D grid (32931.81176s) started
T25 >> 1462772957.71932411 van der Waals (32645.40611s) started
T25 >> 1462772957.84724593 semilocal (23363.10238s) started
T25 << 1462773872.84201002 semilocal (24278.09715s) stopped
T25 >> 1462773872.90930104 redistribute (3735.15800s) started
T25 << 1462773874.01149988 redistribute (3736.26019s) stopped
T25 >> 1462773874.01161194 libvdwxc nonlocal (5486.11233s) started
T25 << 1462773893.41866994 libvdwxc nonlocal (5505.51939s) stopped
T25 >> 1462773893.41873407 redistribute (3736.26023s) started
T25 << 1462773895.21969295 redistribute (3738.06119s) stopped
T25 << 1462773895.22234988 van der Waals (33582.90914s) stopped
T25 << 1462773895.71144390 XC 3D grid (33870.32000s) stopped
T25 >> 1462773895.71148896 Poisson (2224.20261s) started
T25 << 1462773900.07466602 Poisson (2228.56578s) stopped
T25 >> 1462773900.07478404 Hartree integrate/restrict (112.08048s) started
T25 << 1462773900.12988997 Hartree integrate/restrict (112.13559s) stopped
T25 >> 1462773900.12999392 Hartree integrate/restrict (112.13566s) started
T25 << 1462773900.45519495 Hartree integrate/restrict (112.46086s) stopped
T25 >> 1462773900.52736712 Atomic (3180.06632s) started
T25 >> 1462773900.54983592 XC Correction (2402.81723s) started
T25 << 1462773911.19315696 XC Correction (2413.46055s) stopped
T25 << 1462773915.79746294 Atomic (3195.33642s) stopped
T25 >> 1462773915.79779005 Communicate (386.80547s) started
T25 << 1462773915.79790902 Communicate (386.80558s) stopped
T25 << 1462773915.79793191 Hamiltonian (39818.23285s) stopped
T25 >> 1462773915.79803109 LCAO eigensolver (23254.61127s) started
T25 >> 1462773915.79804611 Potential matrix (778.58370s) started
T25 << 1462773918.21224809 Potential matrix (780.99790s) stopped
T25 >> 1462773918.21234298 DistributedAtomicCorrection (328.65589s) started
T25 << 1462773919.32747889 DistributedAtomicCorrection (329.77103s) stopped
T25 >> 1462773919.32756996 Distribute overlap matrix (1816.97722s) started
T25 >> 1462773919.32759309 blocked summation (1777.34423s) started
T25 << 1462773925.20841193 blocked summation (1783.22504s) stopped
T25 >> 1462773925.21785903 Scalapack redistribute (36.52651s) started
T25 << 1462773925.32165194 Scalapack redistribute (36.63030s) stopped
T25 << 1462773925.32171798 Distribute overlap matrix (1822.97136s) stopped
T25 >> 1462773925.32745790 Blacs Orbital Layouts (18732.13191s) started
T25 >> 1462773925.33530998 General diagonalize (18653.62282s) started
T25 << 1462773987.10135508 General diagonalize (18715.38887s) stopped
T25 >> 1462773987.10140491 Redistribute coefs (6.42643s) started
T25 << 1462773987.12537503 Redistribute coefs (6.45040s) stopped
T25 >> 1462773987.12542295 Send coefs to domains (69.17991s) started
T25 << 1462773987.22198391 Send coefs to domains (69.27648s) stopped
T25 << 1462773987.22252393 Blacs Orbital Layouts (18794.02698s) stopped
T25 >> 1462773987.22256398 Calculate projections (1596.36672s) started
T25 << 1462773992.16538405 Calculate projections (1601.30954s) stopped
T25 << 1462773992.16574502 LCAO eigensolver (23330.97899s) stopped
T25 << 1462773993.47216201 SCF-cycle (68610.47143s) stopped
T25 >> 1462773996.29106688 Force calculation (3313.99053s) started
T25 >> 1462773996.29114890 LCAO forces (2972.13260s) started
T25 >> 1462773996.29152393 Initial (0.00085s) started
T25 << 1462773996.29153490 Initial (0.00086s) stopped
T25 >> 1462773996.29806709 Get density matrix (1386.98369s) started
T25 << 1462774005.77049804 Get density matrix (1396.45612s) stopped
T25 >> 1462774005.77056193 Potential (472.52675s) started
T25 << 1462774018.27472806 Potential (485.03092s) stopped
T25 >> 1462774018.27478194 Get density matrix (1396.45618s) started
T25 << 1462774045.54274797 Get density matrix (1423.72414s) stopped
T25 >> 1462774045.54282904 Prepare TCI loop (94.12190s) started
T25 >> 1462774045.54344392 Get neighbors (84.59843s) started
T25 << 1462774047.80009794 Get neighbors (86.85508s) stopped
T25 >> 1462774047.80049205 broadcast dH (9.47233s) started
T25 << 1462774048.05663490 broadcast dH (9.72848s) stopped
T25 << 1462774048.05668402 Prepare TCI loop (96.63575s) stopped
T25 >> 1462774048.05670309 Not so complicated loop (398.74232s) started
T25 << 1462774058.56035304 Not so complicated loop (409.24597s) stopped
T25 >> 1462774058.67999697 Complicated loop (614.83604s) started
T25 << 1462774074.90514493 Complicated loop (631.06119s) stopped
T25 >> 1462774074.90829492 Wait for sum (0.00408s) started
T25 << 1462774074.90837407 Wait for sum (0.00416s) stopped
T25 << 1462774074.90838695 LCAO forces (3050.74984s) stopped
T25 << 1462774084.22973299 Force calculation (3401.92920s) stopped
T25 >> 1462774084.25085711 Initialization (5053.63334s) started
T25 << 1462774084.25106692 Initialization (5053.63355s) stopped
T25 >> 1462774084.25158596 Initialization (5053.63357s) started
T25 << 1462774084.25174809 Initialization (5053.63373s) stopped
T25 >> 1462774084.25189900 Initialization (5053.63374s) started
T25 << 1462774084.25205207 Initialization (5053.63390s) stopped
T25 >> 1462774107.63518190 Initialization (5053.63392s) started
T25 >> 1462774107.85422802 Basic WFS set positions (5.42370s) started
T25 >> 1462774107.85425210 Redistribute (0.29407s) started
T25 << 1462774107.85438704 Redistribute (0.29420s) stopped
T25 << 1462774108.02530408 Basic WFS set positions (5.59478s) stopped
T25 >> 1462774108.02536392 Basis functions set positions (80.64799s) started
T25 << 1462774110.24257708 Basis functions set positions (82.86521s) stopped
T25 >> 1462774110.25017905 TCI: Calculate S, T, P (992.12397s) started
T25 << 1462774138.28581691 TCI: Calculate S, T, P (1020.15960s) stopped
T25 >> 1462774138.28592110 blocked summation (1043.82431s) started
T25 << 1462774172.68148899 blocked summation (1078.21988s) stopped
T25 >> 1462774172.69380093 Scalapack redistribute (11.08068s) started
T25 << 1462774173.31293797 Scalapack redistribute (11.69981s) stopped
T25 >> 1462774173.31396103 blocked summation (1078.21991s) started
T25 << 1462774174.71919894 blocked summation (1079.62515s) stopped
T25 >> 1462774174.72949910 Scalapack redistribute (11.69988s) started
T25 << 1462774174.82872009 Scalapack redistribute (11.79910s) stopped
T25 >> 1462774174.83325601 Redistribute (0.83053s) started
T25 << 1462774174.83448005 Redistribute (0.83175s) stopped
T25 >> 1462774176.88556290 Redistribute (0.83177s) started
T25 << 1462774176.88718891 Redistribute (0.83339s) stopped
T25 >> 1462774176.91032505 LCAO WFS Initialize (2824.39303s) started
T25 >> 1462774176.91036010 Density initialize from wavefunctions (562.86985s) started
T25 >> 1462774176.91397190 Calculate density matrix (383.13729s) started
T25 << 1462774186.95889401 Calculate density matrix (393.18221s) stopped
T25 >> 1462774186.95895290 Construct density (62.36974s) started
T25 << 1462774188.61382508 Construct density (64.02461s) stopped
T25 >> 1462774188.62649703 Symmetrize density (0.00297s) started
T25 << 1462774188.62655306 Symmetrize density (0.00302s) stopped
T25 << 1462774191.70378304 Density initialize from wavefunctions (577.66327s) stopped
T25 >> 1462774191.70467901 Hamiltonian (2260.47788s) started
T25 >> 1462774191.70470500 vbar (0.96337s) started
T25 << 1462774191.72961903 vbar (0.98828s) stopped
T25 >> 1462774191.72973895 XC 3D grid (1171.30633s) started
T25 >> 1462774192.28308010 van der Waals (1132.44176s) started
T25 >> 1462774192.41879606 semilocal (259.90707s) started
T25 << 1462774199.25865793 semilocal (266.74694s) stopped
T25 >> 1462774199.33814812 redistribute (118.77677s) started
T25 << 1462774200.67075610 redistribute (120.10938s) stopped
T25 >> 1462774200.67086792 libvdwxc nonlocal (745.84129s) started
T25 << 1462774219.77135205 libvdwxc nonlocal (764.94177s) stopped
T25 >> 1462774219.77142000 redistribute (120.10941s) started
T25 << 1462774221.52676105 redistribute (121.86475s) stopped
T25 << 1462774221.52869201 van der Waals (1161.68737s) stopped
T25 << 1462774222.03755808 XC 3D grid (1201.61415s) stopped
T25 >> 1462774222.03761792 Poisson (538.56349s) started
T25 << 1462774233.57981801 Poisson (550.10569s) stopped
T25 >> 1462774233.57991791 Hartree integrate/restrict (15.50542s) started
T25 << 1462774233.62885094 Hartree integrate/restrict (15.55435s) stopped
T25 >> 1462774233.62893009 Hartree integrate/restrict (15.55441s) started
T25 << 1462774233.96968007 Hartree integrate/restrict (15.89516s) stopped
T25 >> 1462774234.03195500 Atomic (508.62756s) started
T25 >> 1462774234.05457211 XC Correction (371.46342s) started
T25 << 1462774245.88675594 XC Correction (383.29560s) stopped
T25 << 1462774250.89097595 Atomic (525.48658s) stopped
T25 >> 1462774250.89139605 Communicate (23.12659s) started
T25 << 1462774250.89155793 Communicate (23.12675s) stopped
T25 << 1462774250.89158010 Hamiltonian (2319.66478s) stopped
T25 << 1462774250.89164090 LCAO WFS Initialize (2898.37435s) stopped
T25 << 1462774250.90408301 Initialization (5196.90282s) stopped
T25 >> 1462774250.93375397 SCF-cycle (68610.47145s) started
T25 >> 1462774250.93380690 LCAO eigensolver (23330.97900s) started
T25 >> 1462774250.93382001 Potential matrix (780.99795s) started
T25 << 1462774253.35343003 Potential matrix (783.41756s) stopped
T25 >> 1462774253.35352111 DistributedAtomicCorrection (329.77107s) started
T25 << 1462774254.44954205 DistributedAtomicCorrection (330.86709s) stopped
T25 >> 1462774254.44963408 Distribute overlap matrix (1822.97138s) started
T25 >> 1462774254.44965696 blocked summation (1783.22508s) started
T25 << 1462774260.28238511 blocked summation (1789.05781s) stopped
T25 >> 1462774260.29149008 Scalapack redistribute (36.63034s) started
T25 << 1462774260.39766908 Scalapack redistribute (36.73652s) stopped
T25 << 1462774260.39775491 Distribute overlap matrix (1828.91950s) stopped
T25 >> 1462774260.40200210 Blacs Orbital Layouts (18794.02700s) started
T25 >> 1462774260.40975308 General diagonalize (18715.38891s) started
T25 << 1462774322.46354795 General diagonalize (18777.44270s) stopped
T25 >> 1462774322.46359897 Redistribute coefs (6.45044s) started
T25 << 1462774322.48023295 Redistribute coefs (6.46707s) stopped
T25 >> 1462774322.48027706 Send coefs to domains (69.27652s) started
T25 << 1462774322.60653710 Send coefs to domains (69.40278s) stopped
T25 << 1462774322.60712099 Blacs Orbital Layouts (18856.23212s) stopped
T25 >> 1462774322.60715008 Calculate projections (1601.30960s) started
T25 << 1462774327.51279807 Calculate projections (1606.21524s) stopped
T25 << 1462774327.51299191 LCAO eigensolver (23407.55819s) stopped
T25 >> 1462774329.23162889 Density (5017.81873s) started
T25 >> 1462774329.23164392 Pseudo density (4101.88105s) started
T25 >> 1462774329.23286200 Calculate density matrix (3617.77042s) started
T25 << 1462774341.96978211 Calculate density matrix (3630.50734s) stopped
T25 >> 1462774341.96983910 Construct density (472.25445s) started
T25 << 1462774343.61088109 Construct density (473.89549s) stopped
T25 >> 1462774343.65772891 Symmetrize density (0.02282s) started
T25 << 1462774343.65778804 Symmetrize density (0.02288s) stopped
T25 << 1462774343.65984702 Pseudo density (4116.30925s) stopped
T25 >> 1462774343.65990305 Atomic density matrices (762.48589s) started
T25 << 1462774346.33208108 Atomic density matrices (765.15807s) stopped
T25 >> 1462774346.33213592 Multipole moments (2.85259s) started
T25 << 1462774346.34270811 Multipole moments (2.86316s) stopped
T25 >> 1462774346.34277105 Normalize (2.41911s) started
T25 << 1462774346.34964895 Normalize (2.42598s) stopped
T25 >> 1462774346.34976697 Mix (148.14580s) started
T25 << 1462774346.77018094 Mix (148.56622s) stopped
T25 << 1462774346.77028489 Density (5035.35739s) stopped
T25 >> 1462774346.77062893 Hamiltonian (39818.23286s) started
T25 >> 1462774346.77065492 vbar (7.94922s) started
T25 << 1462774346.80512404 vbar (7.98369s) stopped
T25 >> 1462774346.80521607 XC 3D grid (33870.32003s) started
T25 >> 1462774347.37061000 van der Waals (33582.90926s) started
T25 >> 1462774347.50133109 semilocal (24278.09723s) started
T25 << 1462774353.91921592 semilocal (24284.51511s) stopped
T25 >> 1462774354.01929092 redistribute (3738.06127s) started
T25 << 1462774355.41671491 redistribute (3739.45870s) stopped
T25 >> 1462774355.41682792 libvdwxc nonlocal (5505.51944s) started
T25 << 1462774374.52436209 libvdwxc nonlocal (5524.62697s) stopped
T25 >> 1462774374.52442789 redistribute (3739.45873s) started
T25 << 1462774376.13103199 redistribute (3741.06534s) stopped
T25 << 1462774376.13370705 van der Waals (33611.67236s) stopped
T25 << 1462774376.63776302 XC 3D grid (33900.15258s) stopped
T25 >> 1462774376.63780689 Poisson (2228.56588s) started
T25 << 1462774382.86799002 Poisson (2234.79606s) stopped
T25 >> 1462774382.86806297 Hartree integrate/restrict (112.46099s) started
T25 << 1462774382.93239808 Hartree integrate/restrict (112.52532s) stopped
T25 >> 1462774382.93247294 Hartree integrate/restrict (112.52537s) started
T25 << 1462774383.24841690 Hartree integrate/restrict (112.84131s) stopped
T25 >> 1462774383.30904508 Atomic (3195.33644s) started
T25 >> 1462774383.33144403 XC Correction (2413.46058s) started
T25 << 1462774394.80610490 XC Correction (2424.93524s) stopped
T25 << 1462774400.14548993 Atomic (3212.17289s) stopped
T25 >> 1462774400.14575696 Communicate (386.80560s) started
T25 << 1462774400.14640808 Communicate (386.80625s) stopped
T25 << 1462774400.14643002 Hamiltonian (39871.60866s) stopped
T25 >> 1462774400.14652801 LCAO eigensolver (23407.55821s) started
T25 >> 1462774400.14654207 Potential matrix (783.41762s) started
T25 << 1462774402.56409693 Potential matrix (785.83517s) stopped
T25 >> 1462774402.56418395 DistributedAtomicCorrection (330.86712s) started
T25 << 1462774403.66562605 DistributedAtomicCorrection (331.96856s) stopped
T25 >> 1462774403.66571808 Distribute overlap matrix (1828.91951s) started
T25 >> 1462774403.66574311 blocked summation (1789.05784s) started
T25 << 1462774409.55743289 blocked summation (1794.94953s) stopped
T25 >> 1462774409.56702495 Scalapack redistribute (36.73658s) started
T25 << 1462774409.70226502 Scalapack redistribute (36.87182s) stopped
T25 << 1462774409.70234990 Distribute overlap matrix (1834.95614s) stopped
T25 >> 1462774409.70762801 Blacs Orbital Layouts (18856.23214s) started
T25 >> 1462774409.71612191 General diagonalize (18777.44275s) started
T25 << 1462774468.13520503 General diagonalize (18835.86183s) stopped
T25 >> 1462774468.13525510 Redistribute coefs (6.46711s) started
T25 << 1462774468.16038203 Redistribute coefs (6.49223s) stopped
T25 >> 1462774468.16042209 Send coefs to domains (69.40281s) started
T25 << 1462774468.46727610 Send coefs to domains (69.70967s) stopped
T25 << 1462774468.46789408 Blacs Orbital Layouts (18914.99240s) stopped
T25 >> 1462774468.46793604 Calculate projections (1606.21530s) started
T25 << 1462774473.38789296 Calculate projections (1611.13525s) stopped
T25 << 1462774473.38825607 LCAO eigensolver (23480.79994s) stopped
T25 >> 1462774474.64329505 Density (5035.35740s) started
T25 >> 1462774474.64331007 Pseudo density (4116.30929s) started
T25 >> 1462774474.64454889 Calculate density matrix (3630.50738s) started
T25 << 1462774487.46682096 Calculate density matrix (3643.32966s) stopped
T25 >> 1462774487.46688008 Construct density (473.89554s) started
T25 << 1462774489.11759090 Construct density (475.54625s) stopped
T25 >> 1462774489.13020611 Symmetrize density (0.02290s) started
T25 << 1462774489.13026309 Symmetrize density (0.02295s) stopped
T25 << 1462774489.13233399 Pseudo density (4130.79832s) stopped
T25 >> 1462774489.13239098 Atomic density matrices (765.15809s) started
T25 << 1462774491.85732007 Atomic density matrices (767.88302s) stopped
T25 >> 1462774491.85740709 Multipole moments (2.86318s) started
T25 << 1462774491.86909199 Multipole moments (2.87486s) stopped
T25 >> 1462774491.86915398 Normalize (2.42607s) started
T25 << 1462774491.87585998 Normalize (2.43278s) stopped
T25 >> 1462774491.87596512 Mix (148.56632s) started
T25 << 1462774492.36607194 Mix (149.05642s) stopped
T25 << 1462774492.36613393 Density (5053.08024s) stopped
T25 >> 1462774492.36632800 Hamiltonian (39871.60868s) started
T25 >> 1462774492.36634398 vbar (7.98374s) started
T25 << 1462774492.39227104 vbar (8.00966s) stopped
T25 >> 1462774492.39236403 XC 3D grid (33900.15262s) started
T25 >> 1462774492.93740702 van der Waals (33611.67244s) started
T25 >> 1462774493.06801510 semilocal (24284.51522s) started
T25 << 1462774499.59059000 semilocal (24291.03780s) stopped
T25 >> 1462774499.66881204 redistribute (3741.06543s) started
T25 << 1462774501.02753401 redistribute (3742.42415s) stopped
T25 >> 1462774501.02764702 libvdwxc nonlocal (5524.62702s) started
T25 << 1462774520.59032297 libvdwxc nonlocal (5544.18970s) stopped
T25 >> 1462774520.59038997 redistribute (3742.42419s) started
T25 << 1462774522.28360009 redistribute (3744.11740s) stopped
T25 << 1462774522.28517890 van der Waals (33641.02021s) stopped
T25 << 1462774522.77870011 XC 3D grid (33930.53895s) stopped
T25 >> 1462774522.77874303 Poisson (2234.79611s) started
T25 << 1462774528.75436306 Poisson (2240.77173s) stopped
T25 >> 1462774528.75448799 Hartree integrate/restrict (112.84136s) started
T25 << 1462774528.81900406 Hartree integrate/restrict (112.90588s) stopped
T25 >> 1462774528.81905103 Hartree integrate/restrict (112.90591s) started
T25 << 1462774529.13847709 Hartree integrate/restrict (113.22533s) stopped
T25 >> 1462774529.19802403 Atomic (3212.17290s) started
T25 >> 1462774529.22005796 XC Correction (2424.93527s) started
T25 << 1462774540.43766308 XC Correction (2436.15287s) stopped
T25 << 1462774545.54295993 Atomic (3228.51784s) stopped
T25 >> 1462774545.54330206 Communicate (386.80626s) started
T25 << 1462774545.54341793 Communicate (386.80638s) stopped
T25 << 1462774545.54344106 Hamiltonian (39924.78579s) stopped
T25 >> 1462774545.54354501 LCAO eigensolver (23480.79996s) started
T25 >> 1462774545.54356003 Potential matrix (785.83522s) started
T25 << 1462774547.97757506 Potential matrix (788.26924s) stopped
T25 >> 1462774547.97765708 DistributedAtomicCorrection (331.96860s) started
T25 << 1462774549.09112501 DistributedAtomicCorrection (333.08207s) stopped
T25 >> 1462774549.09121990 Distribute overlap matrix (1834.95615s) started
T25 >> 1462774549.09124398 blocked summation (1794.94956s) started
T25 << 1462774554.96858692 blocked summation (1800.82691s) stopped
T25 >> 1462774554.97819805 Scalapack redistribute (36.87188s) started
T25 << 1462774555.08586097 Scalapack redistribute (36.97954s) stopped
T25 << 1462774555.08596206 Distribute overlap matrix (1840.95090s) stopped
T25 >> 1462774555.09054494 Blacs Orbital Layouts (18914.99242s) started
T25 >> 1462774555.09858489 General diagonalize (18835.86187s) started
T25 << 1462774612.71873307 General diagonalize (18893.48202s) stopped
T25 >> 1462774612.71881390 Redistribute coefs (6.49226s) started
T25 << 1462774612.73577404 Redistribute coefs (6.50923s) stopped
T25 >> 1462774612.73581910 Send coefs to domains (69.70973s) started
T25 << 1462774612.86749005 Send coefs to domains (69.84140s) stopped
T25 << 1462774612.86806297 Blacs Orbital Layouts (18972.76994s) stopped
T25 >> 1462774612.86811709 Calculate projections (1611.13531s) started
T25 << 1462774617.78623104 Calculate projections (1616.05342s) stopped
T25 << 1462774617.78658295 LCAO eigensolver (23553.04299s) stopped
T25 >> 1462774619.30657792 Density (5053.08026s) started
T25 >> 1462774619.30659294 Pseudo density (4130.79836s) started
T25 >> 1462774619.30798101 Calculate density matrix (3643.32970s) started
T25 << 1462774632.07871509 Calculate density matrix (3656.10043s) stopped
T25 >> 1462774632.07877207 Construct density (475.54631s) started
T25 << 1462774633.73153996 Construct density (477.19907s) stopped
T25 >> 1462774633.74469399 Symmetrize density (0.02297s) started
T25 << 1462774633.74475002 Symmetrize density (0.02303s) stopped
T25 << 1462774633.74683094 Pseudo density (4145.23860s) stopped
T25 >> 1462774633.74688911 Atomic density matrices (767.88308s) started
T25 << 1462774636.48397589 Atomic density matrices (770.62017s) stopped
T25 >> 1462774636.48402905 Multipole moments (2.87488s) started
T25 << 1462774636.49583197 Multipole moments (2.88668s) stopped
T25 >> 1462774636.49589300 Normalize (2.43286s) started
T25 << 1462774636.50255203 Normalize (2.43951s) stopped
T25 >> 1462774636.50266409 Mix (149.05649s) started
T25 << 1462774636.96951795 Mix (149.52334s) stopped
T25 << 1462774636.96958899 Density (5070.74327s) stopped
T25 >> 1462774636.96981907 Hamiltonian (39924.78580s) started
T25 >> 1462774636.96983790 vbar (8.00971s) started
T25 << 1462774636.98783708 vbar (8.02771s) stopped
T25 >> 1462774636.98794103 XC 3D grid (33930.53898s) started
T25 >> 1462774637.55656505 van der Waals (33641.02029s) started
T25 >> 1462774637.68682289 semilocal (24291.03789s) started
T25 << 1462774654.66392803 semilocal (24308.01500s) stopped
T25 >> 1462774654.72428203 redistribute (3744.11747s) started
T25 << 1462774655.83796000 redistribute (3745.23114s) stopped
T25 >> 1462774655.83807898 libvdwxc nonlocal (5544.18975s) started
T25 << 1462774675.28068709 libvdwxc nonlocal (5563.63235s) stopped
T25 >> 1462774675.28074694 redistribute (3745.23118s) started
T25 << 1462774676.89545798 redistribute (3746.84589s) stopped
T25 << 1462774676.89721799 van der Waals (33680.36094s) stopped
T25 << 1462774677.38507199 XC 3D grid (33970.93612s) stopped
T25 >> 1462774677.38512707 Poisson (2240.77182s) started
T25 << 1462774683.49207401 Poisson (2246.87877s) stopped
T25 >> 1462774683.49216509 Hartree integrate/restrict (113.22537s) started
T25 << 1462774683.56001806 Hartree integrate/restrict (113.29323s) stopped
T25 >> 1462774683.56008291 Hartree integrate/restrict (113.29326s) started
T25 << 1462774683.87717390 Hartree integrate/restrict (113.61036s) stopped
T25 >> 1462774683.97761607 Atomic (3228.51786s) started
T25 >> 1462774683.99973106 XC Correction (2436.15290s) started
T25 << 1462774695.19353795 XC Correction (2447.34671s) stopped
T25 << 1462774699.63336992 Atomic (3244.17362s) stopped
T25 >> 1462774699.63369799 Communicate (386.80639s) started
T25 << 1462774699.63381410 Communicate (386.80651s) stopped
T25 << 1462774699.63383698 Hamiltonian (39987.44982s) stopped
T25 >> 1462774699.63393903 LCAO eigensolver (23553.04301s) started
T25 >> 1462774699.63395405 Potential matrix (788.26928s) started
T25 << 1462774702.05131602 Potential matrix (790.68665s) stopped
T25 >> 1462774702.05139995 DistributedAtomicCorrection (333.08210s) started
T25 << 1462774703.17678094 DistributedAtomicCorrection (334.20749s) stopped
T25 >> 1462774703.17687607 Distribute overlap matrix (1840.95091s) started
T25 >> 1462774703.17689991 blocked summation (1800.82694s) started
T25 << 1462774709.01566100 blocked summation (1806.66570s) stopped
T25 >> 1462774709.02571702 Scalapack redistribute (36.97961s) started
T25 << 1462774709.13552499 Scalapack redistribute (37.08941s) stopped
T25 << 1462774709.13559890 Distribute overlap matrix (1846.90963s) stopped
T25 >> 1462774709.14344311 Blacs Orbital Layouts (18972.76997s) started
T25 >> 1462774709.15323997 General diagonalize (18893.48209s) started
T25 << 1462774769.22150993 General diagonalize (18953.55036s) stopped
T25 >> 1462774769.22156405 Redistribute coefs (6.50926s) started
T25 << 1462774769.23801589 Redistribute coefs (6.52571s) stopped
T25 >> 1462774769.23805690 Send coefs to domains (69.84144s) started
T25 << 1462774769.37360907 Send coefs to domains (69.97699s) stopped
T25 << 1462774769.37426496 Blacs Orbital Layouts (19033.00079s) stopped
T25 >> 1462774769.37430811 Calculate projections (1616.05347s) started
T25 << 1462774774.35743093 Calculate projections (1621.03659s) stopped
T25 << 1462774774.35782909 LCAO eigensolver (23627.76690s) stopped
T25 >> 1462774776.08159995 Density (5070.74328s) started
T25 >> 1462774776.08163905 Pseudo density (4145.23865s) started
T25 >> 1462774776.08352709 Calculate density matrix (3656.10047s) started
T25 << 1462774788.78097892 Calculate density matrix (3668.79792s) stopped
T25 >> 1462774788.78103590 Construct density (477.19912s) started
T25 << 1462774790.43386793 Construct density (478.85195s) stopped
T25 >> 1462774790.44807792 Symmetrize density (0.02304s) started
T25 << 1462774790.44814301 Symmetrize density (0.02311s) stopped
T25 << 1462774790.45048809 Pseudo density (4159.60749s) stopped
T25 >> 1462774790.45054793 Atomic density matrices (770.62020s) started
T25 << 1462774793.16248798 Atomic density matrices (773.33214s) stopped
T25 >> 1462774793.16254210 Multipole moments (2.88670s) started
T25 << 1462774793.17108488 Multipole moments (2.89524s) stopped
T25 >> 1462774793.17114902 Normalize (2.43960s) started
T25 << 1462774793.18026495 Normalize (2.44872s) stopped
T25 >> 1462774793.18033099 Mix (149.52341s) started
T25 << 1462774793.66542912 Mix (150.00851s) stopped
T25 << 1462774793.66546392 Density (5088.32715s) stopped
T25 >> 1462774793.66568899 Hamiltonian (39987.44983s) started
T25 >> 1462774793.66570807 vbar (8.02777s) started
T25 << 1462774793.68993592 vbar (8.05200s) stopped
T25 >> 1462774793.69010592 XC 3D grid (33970.93616s) started
T25 >> 1462774794.37275696 van der Waals (33680.36101s) started
T25 >> 1462774794.50182891 semilocal (24308.01508s) started
T25 << 1462775874.15159702 semilocal (25387.66485s) stopped
T25 >> 1462775874.20693994 redistribute (3746.84600s) started
T25 << 1462775875.16916394 redistribute (3747.80822s) stopped
T25 >> 1462775875.16928005 libvdwxc nonlocal (5563.63240s) started
T25 << 1462775895.36529112 libvdwxc nonlocal (5583.82841s) stopped
T25 >> 1462775895.36533689 redistribute (3747.80825s) started
T25 << 1462775897.00636101 redistribute (3749.44928s) stopped
T25 << 1462775897.00869989 van der Waals (34782.99696s) stopped
T25 << 1462775897.50665092 XC 3D grid (35074.75271s) stopped
T25 >> 1462775897.50669408 Poisson (2246.87884s) started
T25 << 1462775902.03198409 Poisson (2251.40413s) stopped
T25 >> 1462775902.03205800 Hartree integrate/restrict (113.61039s) started
T25 << 1462775902.10255790 Hartree integrate/restrict (113.68089s) stopped
T25 >> 1462775902.10261989 Hartree integrate/restrict (113.68093s) started
T25 << 1462775902.42752194 Hartree integrate/restrict (114.00583s) stopped
T25 >> 1462775902.48831296 Atomic (3244.17364s) started
T25 >> 1462775902.51125693 XC Correction (2447.34673s) started
T25 << 1462775913.89690399 XC Correction (2458.73238s) stopped
T25 << 1462775917.79935789 Atomic (3259.48468s) stopped
T25 >> 1462775917.79968810 Communicate (386.80652s) started
T25 << 1462775917.79980803 Communicate (386.80664s) stopped
T25 << 1462775917.79983211 Hamiltonian (41111.58398s) stopped
T25 >> 1462775917.79993510 LCAO eigensolver (23627.76692s) started
T25 >> 1462775917.79994988 Potential matrix (790.68669s) started
T25 << 1462775920.22915506 Potential matrix (793.11590s) stopped
T25 >> 1462775920.22924209 DistributedAtomicCorrection (334.20752s) started
T25 << 1462775921.35548997 DistributedAtomicCorrection (335.33377s) stopped
T25 >> 1462775921.35558391 Distribute overlap matrix (1846.90965s) started
T25 >> 1462775921.35560799 blocked summation (1806.66573s) started
T25 << 1462775927.16167688 blocked summation (1812.47180s) stopped
T25 >> 1462775927.17072606 Scalapack redistribute (37.08945s) started
T25 << 1462775927.29474092 Scalapack redistribute (37.21347s) stopped
T25 << 1462775927.29483509 Distribute overlap matrix (1852.84890s) stopped
T25 >> 1462775927.30036807 Blacs Orbital Layouts (19033.00081s) started
T25 >> 1462775927.30860806 General diagonalize (18953.55040s) started
T25 << 1462775987.01757002 General diagonalize (19013.25936s) stopped
T25 >> 1462775987.01762009 Redistribute coefs (6.52574s) started
T25 << 1462775987.03419209 Redistribute coefs (6.54232s) stopped
T25 >> 1462775987.03423595 Send coefs to domains (69.97702s) started
T25 << 1462775987.36032510 Send coefs to domains (70.30311s) stopped
T25 << 1462775987.36100101 Blacs Orbital Layouts (19093.06144s) stopped
T25 >> 1462775987.36104202 Calculate projections (1621.03665s) started
T25 << 1462775992.28063393 Calculate projections (1625.95624s) stopped
T25 << 1462775992.28099203 LCAO eigensolver (23702.24798s) stopped
T25 >> 1462775993.53580999 Density (5088.32716s) started
T25 >> 1462775993.53582597 Pseudo density (4159.60754s) started
T25 >> 1462775993.53712296 Calculate density matrix (3668.79796s) started
T25 << 1462776006.67311096 Calculate density matrix (3681.93395s) stopped
T25 >> 1462776006.67316794 Construct density (478.85201s) started
T25 << 1462776008.32847095 Construct density (480.50731s) stopped
T25 >> 1462776008.36050510 Symmetrize density (0.02313s) started
T25 << 1462776008.36056495 Symmetrize density (0.02319s) stopped
T25 << 1462776008.36260796 Pseudo density (4174.43432s) stopped
T25 >> 1462776008.36266398 Atomic density matrices (773.33216s) started
T25 << 1462776011.04143906 Atomic density matrices (776.01094s) stopped
T25 >> 1462776011.04149389 Multipole moments (2.89526s) started
T25 << 1462776011.05201411 Multipole moments (2.90578s) stopped
T25 >> 1462776011.05208302 Normalize (2.44877s) started
T25 << 1462776011.05873203 Normalize (2.45542s) stopped
T25 >> 1462776011.05881095 Mix (150.00854s) started
T25 << 1462776011.66742611 Mix (150.61715s) stopped
T25 << 1462776011.66748810 Density (5106.45884s) stopped
T25 >> 1462776011.66769099 Hamiltonian (41111.58399s) started
T25 >> 1462776011.66770792 vbar (8.05210s) started
T25 << 1462776011.68721795 vbar (8.07161s) stopped
T25 >> 1462776011.68730688 XC 3D grid (35074.75274s) started
T25 >> 1462776012.16520596 van der Waals (34782.99703s) started
T25 >> 1462776012.29844189 semilocal (25387.66492s) started
T25 << 1462777284.25246000 semilocal (26659.61894s) stopped
T25 >> 1462777284.34362888 redistribute (3749.44940s) started
T25 << 1462777285.64269304 redistribute (3750.74847s) stopped
T25 >> 1462777285.64280510 libvdwxc nonlocal (5583.82844s) started
T25 << 1462777305.24476790 libvdwxc nonlocal (5603.43041s) stopped
T25 >> 1462777305.24482894 redistribute (3750.74850s) started
T25 << 1462777306.86215591 redistribute (3752.36583s) stopped
T25 << 1462777306.86425900 van der Waals (36077.69609s) stopped
T25 << 1462777307.35177588 XC 3D grid (36370.41721s) stopped
T25 >> 1462777307.35181904 Poisson (2251.40418s) started
T25 << 1462777312.07161307 Poisson (2256.12397s) stopped
T25 >> 1462777312.07170010 Hartree integrate/restrict (114.00591s) started
T25 << 1462777312.13540506 Hartree integrate/restrict (114.06961s) stopped
T25 >> 1462777312.13548398 Hartree integrate/restrict (114.06966s) started
T25 << 1462777312.46190310 Hartree integrate/restrict (114.39608s) stopped
T25 >> 1462777312.54198503 Atomic (3259.48471s) started
T25 >> 1462777312.56503105 XC Correction (2458.73241s) started
T25 << 1462777323.97942901 XC Correction (2470.14680s) stopped
T25 << 1462777327.84734702 Atomic (3274.79007s) stopped
T25 >> 1462777327.84760308 Communicate (386.80666s) started
T25 << 1462777327.84831595 Communicate (386.80737s) stopped
T25 << 1462777327.84833789 Hamiltonian (42427.76463s) stopped
T25 >> 1462777327.84843493 LCAO eigensolver (23702.24799s) started
T25 >> 1462777327.84844995 Potential matrix (793.11595s) started
T25 << 1462777330.27301407 Potential matrix (795.54051s) stopped
T25 >> 1462777330.27310610 DistributedAtomicCorrection (335.33380s) started
T25 << 1462777331.39250207 DistributedAtomicCorrection (336.45320s) stopped
T25 >> 1462777331.39259505 Distribute overlap matrix (1852.84891s) started
T25 >> 1462777331.39261889 blocked summation (1812.47184s) started
T25 << 1462777337.29017091 blocked summation (1818.36939s) stopped
T25 >> 1462777337.29967189 Scalapack redistribute (37.21353s) started
T25 << 1462777337.39688611 Scalapack redistribute (37.31074s) stopped
T25 << 1462777337.39696002 Distribute overlap matrix (1858.85328s) stopped
T25 >> 1462777337.40139890 Blacs Orbital Layouts (19093.06146s) started
T25 >> 1462777337.40931106 General diagonalize (19013.25940s) started
T25 << 1462777398.06675506 General diagonalize (19073.91685s) stopped
T25 >> 1462777398.06683612 Redistribute coefs (6.54235s) started
T25 << 1462777398.08383703 Redistribute coefs (6.55935s) stopped
T25 >> 1462777398.08387995 Send coefs to domains (70.30316s) started
T25 << 1462777398.23363304 Send coefs to domains (70.45292s) stopped
T25 << 1462777398.23434997 Blacs Orbital Layouts (19153.89441s) stopped
T25 >> 1462777398.23439193 Calculate projections (1625.95629s) started
T25 << 1462777403.21092510 Calculate projections (1630.93282s) stopped
T25 << 1462777403.21131897 LCAO eigensolver (23777.61088s) stopped
T25 << 1462777404.66123199 SCF-cycle (71764.19893s) stopped
T25 >> 1462777407.46145105 Force calculation (3401.92922s) started
T25 >> 1462777407.46153092 LCAO forces (3050.74985s) started
T25 >> 1462777407.46191311 Initial (0.00087s) started
T25 << 1462777407.46192503 Initial (0.00088s) stopped
T25 >> 1462777407.46809697 Get density matrix (1423.72419s) started
T25 << 1462777417.73026991 Get density matrix (1433.98636s) stopped
T25 >> 1462777417.73031497 Potential (485.03096s) started
T25 << 1462777430.32710195 Potential (497.62775s) stopped
T25 >> 1462777430.32715988 Get density matrix (1433.98640s) started
T25 << 1462777457.64829111 Get density matrix (1461.30753s) stopped
T25 >> 1462777457.64839101 Prepare TCI loop (96.63577s) started
T25 >> 1462777457.64917994 Get neighbors (86.85513s) started
T25 << 1462777459.95899606 Get neighbors (89.16495s) stopped
T25 >> 1462777459.95933604 broadcast dH (9.72850s) started
T25 << 1462777460.19785595 broadcast dH (9.96702s) stopped
T25 << 1462777460.19790697 Prepare TCI loop (99.18528s) stopped
T25 >> 1462777460.19792700 Not so complicated loop (409.24601s) started
T25 << 1462777470.87093997 Not so complicated loop (419.91902s) stopped
T25 >> 1462777470.99057198 Complicated loop (631.06122s) started
T25 << 1462777487.34510803 Complicated loop (647.41576s) stopped
T25 >> 1462777487.34834504 Wait for sum (0.00418s) started
T25 << 1462777487.34842300 Wait for sum (0.00426s) stopped
T25 << 1462777487.34843707 LCAO forces (3130.63676s) stopped
T25 << 1462777496.42723298 Force calculation (3490.89500s) stopped
T25 >> 1462777496.44843698 Initialization (5196.90284s) started
T25 << 1462777496.44865894 Initialization (5196.90306s) stopped
T25 >> 1462777496.44915700 Initialization (5196.90308s) started
T25 << 1462777496.44931197 Initialization (5196.90324s) stopped
T25 >> 1462777496.44946003 Initialization (5196.90325s) started
T25 << 1462777496.44961309 Initialization (5196.90340s) stopped
T25 >> 1462777519.70554590 Initialization (5196.90342s) started
T25 >> 1462777519.98306394 Basic WFS set positions (5.59481s) started
T25 >> 1462777519.98308992 Redistribute (0.29422s) started
T25 << 1462777519.98323202 Redistribute (0.29436s) stopped
T25 << 1462777520.15059590 Basic WFS set positions (5.76234s) stopped
T25 >> 1462777520.15066695 Basis functions set positions (82.86524s) started
T25 << 1462777522.39160991 Basis functions set positions (85.10618s) stopped
T25 >> 1462777522.40013099 TCI: Calculate S, T, P (1020.15964s) started
T25 << 1462777550.42059708 TCI: Calculate S, T, P (1048.18011s) stopped
T25 >> 1462777550.42070699 blocked summation (1079.62519s) started
T25 << 1462777586.71590805 blocked summation (1115.92039s) stopped
T25 >> 1462777586.72831011 Scalapack redistribute (11.79915s) started
T25 << 1462777586.84101510 Scalapack redistribute (11.91186s) stopped
T25 >> 1462777586.84201694 blocked summation (1115.92043s) started
T25 << 1462777588.21607804 blocked summation (1117.29449s) stopped
T25 >> 1462777588.22566795 Scalapack redistribute (11.91192s) started
T25 << 1462777588.33167911 Scalapack redistribute (12.01793s) stopped
T25 >> 1462777588.33482409 Redistribute (0.83344s) started
T25 << 1462777588.33607888 Redistribute (0.83470s) stopped
T25 >> 1462777590.39999604 Redistribute (0.83472s) started
T25 << 1462777590.40126395 Redistribute (0.83598s) stopped
T25 >> 1462777590.43236804 LCAO WFS Initialize (2898.37436s) started
T25 >> 1462777590.43239307 Density initialize from wavefunctions (577.66335s) started
T25 >> 1462777590.43533206 Calculate density matrix (393.18225s) started
T25 << 1462777600.43627906 Calculate density matrix (403.18319s) stopped
T25 >> 1462777600.43633509 Construct density (64.02466s) started
T25 << 1462777602.08894396 Construct density (65.67727s) stopped
T25 >> 1462777602.10193300 Symmetrize density (0.00304s) started
T25 << 1462777602.10199690 Symmetrize density (0.00311s) stopped
T25 << 1462777605.23652196 Density initialize from wavefunctions (592.46748s) stopped
T25 >> 1462777605.23737001 Hamiltonian (2319.66479s) started
T25 >> 1462777605.23740101 vbar (0.98834s) started
T25 << 1462777605.26827192 vbar (1.01921s) stopped
T25 >> 1462777605.26845503 XC 3D grid (1201.61420s) started
T25 >> 1462777605.74769998 van der Waals (1161.68747s) started
T25 >> 1462777605.88253999 semilocal (266.74706s) started
T25 << 1462777613.20441198 semilocal (274.06893s) stopped
T25 >> 1462777613.26732612 redistribute (121.86482s) started
T25 << 1462777614.18011189 redistribute (122.77760s) stopped
T25 >> 1462777614.18023205 libvdwxc nonlocal (764.94182s) started
T25 << 1462777633.22481108 libvdwxc nonlocal (783.98640s) stopped
T25 >> 1462777633.22488594 redistribute (122.77764s) started
T25 << 1462777635.16688895 redistribute (124.71964s) stopped
T25 << 1462777635.16857100 van der Waals (1191.10834s) stopped
T25 << 1462777635.66163611 XC 3D grid (1232.00738s) stopped
T25 >> 1462777635.66170597 Poisson (550.10577s) started
T25 << 1462777646.43147707 Poisson (560.87554s) stopped
T25 >> 1462777646.43162203 Hartree integrate/restrict (15.89520s) started
T25 << 1462777646.46677995 Hartree integrate/restrict (15.93036s) stopped
T25 >> 1462777646.46688890 Hartree integrate/restrict (15.93043s) started
T25 << 1462777646.83065009 Hartree integrate/restrict (16.29419s) stopped
T25 >> 1462777646.89036107 Atomic (525.48660s) started
T25 >> 1462777646.91367888 XC Correction (383.29563s) started
T25 << 1462777658.46511507 XC Correction (394.84706s) stopped
T25 << 1462777664.51625204 Atomic (543.11249s) stopped
T25 >> 1462777664.51671696 Communicate (23.12677s) started
T25 << 1462777664.51685905 Communicate (23.12691s) stopped
T25 << 1462777664.51688194 Hamiltonian (2378.94431s) stopped
T25 << 1462777664.51694798 LCAO WFS Initialize (2972.45894s) stopped
T25 << 1462777664.52947497 Initialization (5341.72735s) stopped
T25 >> 1462777664.55950189 SCF-cycle (71764.19895s) started
T25 >> 1462777664.55956292 LCAO eigensolver (23777.61090s) started
T25 >> 1462777664.55957699 Potential matrix (795.54057s) started
T25 << 1462777666.96214509 Potential matrix (797.94314s) stopped
T25 >> 1462777666.96223998 DistributedAtomicCorrection (336.45324s) started
T25 << 1462777668.02145696 DistributedAtomicCorrection (337.51245s) stopped
T25 >> 1462777668.02155304 Distribute overlap matrix (1858.85329s) started
T25 >> 1462777668.02157903 blocked summation (1818.36942s) started
T25 << 1462777673.83731008 blocked summation (1824.18516s) stopped
T25 >> 1462777673.84649491 Scalapack redistribute (37.31078s) started
T25 << 1462777673.98884511 Scalapack redistribute (37.45313s) stopped
T25 << 1462777673.98890209 Distribute overlap matrix (1864.82064s) stopped
T25 >> 1462777673.99612403 Blacs Orbital Layouts (19153.89443s) started
T25 >> 1462777674.00488591 General diagonalize (19073.91691s) started
T25 << 1462777732.18420601 General diagonalize (19132.09623s) stopped
T25 >> 1462777732.18425202 Redistribute coefs (6.55938s) started
T25 << 1462777732.20829010 Redistribute coefs (6.58342s) stopped
T25 >> 1462777732.20832705 Send coefs to domains (70.45295s) started
T25 << 1462777732.54413009 Send coefs to domains (70.78875s) stopped
T25 << 1462777732.54470491 Blacs Orbital Layouts (19212.44301s) stopped
T25 >> 1462777732.54473495 Calculate projections (1630.93287s) started
T25 << 1462777737.47763705 Calculate projections (1635.86578s) stopped
T25 << 1462777737.47804093 LCAO eigensolver (23850.52937s) stopped
T25 >> 1462777738.75404501 Density (5106.45885s) started
T25 >> 1462777738.75406504 Pseudo density (4174.43437s) started
T25 >> 1462777738.75601506 Calculate density matrix (3681.93398s) started
T25 << 1462777751.54727602 Calculate density matrix (3694.72525s) stopped
T25 >> 1462777751.54733610 Construct density (480.50737s) started
T25 << 1462777753.20541406 Construct density (482.16544s) stopped
T25 >> 1462777754.12364507 Symmetrize density (0.02321s) started
T25 << 1462777754.12370300 Symmetrize density (0.02326s) stopped
T25 << 1462777754.12603903 Pseudo density (4189.80634s) stopped
T25 >> 1462777754.12609601 Atomic density matrices (776.01096s) started
T25 << 1462777756.03496194 Atomic density matrices (777.91983s) stopped
T25 >> 1462777756.03501606 Multipole moments (2.90580s) started
T25 << 1462777756.04752803 Multipole moments (2.91831s) stopped
T25 >> 1462777756.04759002 Normalize (2.45547s) started
T25 << 1462777756.05734706 Normalize (2.46523s) stopped
T25 >> 1462777756.05743289 Mix (150.61721s) started
T25 << 1462777756.48134494 Mix (151.04113s) stopped
T25 << 1462777756.48141789 Density (5124.18622s) stopped
T25 >> 1462777756.48167300 Hamiltonian (42427.76465s) started
T25 >> 1462777756.48170590 vbar (8.07166s) started
T25 << 1462777756.51093602 vbar (8.10089s) stopped
T25 >> 1462777756.51106811 XC 3D grid (36370.41724s) started
T25 >> 1462777757.00965595 van der Waals (36077.69614s) started
T25 >> 1462777757.13863897 semilocal (26659.61904s) started
T25 << 1462777763.79663205 semilocal (26666.27703s) stopped
T25 >> 1462777763.89780593 redistribute (3752.36593s) started
T25 << 1462777765.41146898 redistribute (3753.87959s) stopped
T25 >> 1462777765.41158605 libvdwxc nonlocal (5603.43045s) started
T25 << 1462777784.56727505 libvdwxc nonlocal (5622.58614s) stopped
T25 >> 1462777784.56734395 redistribute (3753.87963s) started
T25 << 1462777786.15489411 redistribute (3755.46718s) stopped
T25 << 1462777786.15627408 van der Waals (36106.84276s) stopped
T25 << 1462777786.64821911 XC 3D grid (36400.55439s) stopped
T25 >> 1462777786.64826703 Poisson (2256.12404s) started
T25 << 1462777791.03084397 Poisson (2260.50661s) stopped
T25 >> 1462777791.03092909 Hartree integrate/restrict (114.39614s) started
T25 << 1462777791.08525896 Hartree integrate/restrict (114.45047s) stopped
T25 >> 1462777791.08534789 Hartree integrate/restrict (114.45053s) started
T25 << 1462777791.40915108 Hartree integrate/restrict (114.77433s) stopped
T25 >> 1462777791.46537089 Atomic (3274.79009s) started
T25 >> 1462777791.48800302 XC Correction (2470.14683s) started
T25 << 1462777802.90739393 XC Correction (2481.56622s) stopped
T25 << 1462777809.06812406 Atomic (3292.39284s) stopped
T25 >> 1462777809.06847596 Communicate (386.80739s) started
T25 << 1462777809.06860399 Communicate (386.80751s) stopped
T25 << 1462777809.06862712 Hamiltonian (42480.35160s) stopped
T25 >> 1462777809.06873012 LCAO eigensolver (23850.52940s) started
T25 >> 1462777809.06874490 Potential matrix (797.94319s) started
T25 << 1462777811.48460007 Potential matrix (800.35904s) stopped
T25 >> 1462777811.48468494 DistributedAtomicCorrection (337.51249s) started
T25 << 1462777812.57523704 DistributedAtomicCorrection (338.60304s) stopped
T25 >> 1462777812.57533097 Distribute overlap matrix (1864.82065s) started
T25 >> 1462777812.57535505 blocked summation (1824.18519s) started
T25 << 1462777818.51487494 blocked summation (1830.12471s) stopped
T25 >> 1462777818.52490592 Scalapack redistribute (37.45317s) started
T25 << 1462777818.63622308 Scalapack redistribute (37.56448s) stopped
T25 << 1462777818.63631296 Distribute overlap matrix (1870.88163s) stopped
T25 >> 1462777818.64203596 Blacs Orbital Layouts (19212.44303s) started
T25 >> 1462777818.65046811 General diagonalize (19132.09627s) started
T25 << 1462777880.13158298 General diagonalize (19193.57739s) stopped
T25 >> 1462777880.13166690 Redistribute coefs (6.58345s) started
T25 << 1462777880.15407896 Redistribute coefs (6.60586s) stopped
T25 >> 1462777880.15411806 Send coefs to domains (70.78880s) started
T25 << 1462777880.70083904 Send coefs to domains (71.33552s) stopped
T25 << 1462777880.70147395 Blacs Orbital Layouts (19274.50247s) stopped
T25 >> 1462777880.70151401 Calculate projections (1635.86583s) started
T25 << 1462777885.66892409 Calculate projections (1640.83324s) stopped
T25 << 1462777885.66913891 LCAO eigensolver (23927.12980s) stopped
T25 >> 1462777886.89200401 Density (5124.18624s) started
T25 >> 1462777886.89201903 Pseudo density (4189.80639s) started
T25 >> 1462777886.89346790 Calculate density matrix (3694.72529s) started
T25 << 1462777899.69684792 Calculate density matrix (3707.52867s) stopped
T25 >> 1462777899.69690490 Construct density (482.16550s) started
T25 << 1462777901.34782505 Construct density (483.81642s) stopped
T25 >> 1462777901.36032009 Symmetrize density (0.02328s) started
T25 << 1462777901.36038208 Symmetrize density (0.02334s) stopped
T25 << 1462777901.36246490 Pseudo density (4204.27683s) stopped
T25 >> 1462777901.36252403 Atomic density matrices (777.91986s) started
T25 << 1462777904.16412592 Atomic density matrices (780.72146s) stopped
T25 >> 1462777904.16417909 Multipole moments (2.91833s) started
T25 << 1462777904.17769194 Multipole moments (2.93184s) stopped
T25 >> 1462777904.17775393 Normalize (2.46529s) started
T25 << 1462777904.18506598 Normalize (2.47261s) stopped
T25 >> 1462777904.18511796 Mix (151.04120s) started
T25 << 1462777904.66163993 Mix (151.51772s) stopped
T25 << 1462777904.66171408 Density (5141.95595s) stopped
T25 >> 1462777904.66204691 Hamiltonian (42480.35162s) started
T25 >> 1462777904.66207910 vbar (8.10096s) started
T25 << 1462777904.69305205 vbar (8.13193s) stopped
T25 >> 1462777904.69318509 XC 3D grid (36400.55443s) started
T25 >> 1462777905.18560696 van der Waals (36106.84280s) started
T25 >> 1462777905.31769800 semilocal (26666.27714s) started
T25 << 1462777912.33152103 semilocal (26673.29096s) stopped
T25 >> 1462777912.39383698 redistribute (3755.46725s) started
T25 << 1462777913.31122494 redistribute (3756.38463s) stopped
T25 >> 1462777913.31134391 libvdwxc nonlocal (5622.58619s) started
T25 << 1462777932.14438009 libvdwxc nonlocal (5641.41923s) stopped
T25 >> 1462777932.14443493 redistribute (3756.38467s) started
T25 << 1462777934.04107308 redistribute (3758.28131s) stopped
T25 << 1462777934.04249310 van der Waals (36135.69968s) stopped
T25 << 1462777934.53382897 XC 3D grid (36430.39507s) stopped
T25 >> 1462777934.53387189 Poisson (2260.50668s) started
T25 << 1462777940.37735605 Poisson (2266.35016s) stopped
T25 >> 1462777940.37743592 Hartree integrate/restrict (114.77437s) started
T25 << 1462777940.42007995 Hartree integrate/restrict (114.81702s) stopped
T25 >> 1462777940.42018795 Hartree integrate/restrict (114.81709s) started
T25 << 1462777940.76800203 Hartree integrate/restrict (115.16491s) stopped
T25 >> 1462777940.83409691 Atomic (3292.39286s) started
T25 >> 1462777940.85672402 XC Correction (2481.56624s) started
T25 << 1462777951.83606291 XC Correction (2492.54558s) stopped
T25 << 1462777957.91279411 Atomic (3309.47156s) stopped
T25 >> 1462777957.91314793 Communicate (386.80753s) started
T25 << 1462777957.91326809 Communicate (386.80765s) stopped
T25 << 1462777957.91329193 Hamiltonian (42533.60286s) stopped
T25 >> 1462777957.91339588 LCAO eigensolver (23927.12982s) started
T25 >> 1462777957.91341209 Potential matrix (800.35909s) started
T25 << 1462777960.33407211 Potential matrix (802.77975s) stopped
T25 >> 1462777960.33417106 DistributedAtomicCorrection (338.60308s) started
T25 << 1462777961.40430093 DistributedAtomicCorrection (339.67321s) stopped
T25 >> 1462777961.40440011 Distribute overlap matrix (1870.88165s) started
T25 >> 1462777961.40442610 blocked summation (1830.12474s) started
T25 << 1462777967.30588698 blocked summation (1836.02620s) stopped
T25 >> 1462777967.31480408 Scalapack redistribute (37.56453s) started
T25 << 1462777967.44091201 Scalapack redistribute (37.69064s) stopped
T25 << 1462777967.44101501 Distribute overlap matrix (1876.91826s) stopped
T25 >> 1462777967.44851398 Blacs Orbital Layouts (19274.50249s) started
T25 >> 1462777967.45706892 General diagonalize (19193.57746s) started
T25 << 1462778025.18137193 General diagonalize (19251.30176s) stopped
T25 >> 1462778025.18144298 Redistribute coefs (6.60589s) started
T25 << 1462778025.19705510 Redistribute coefs (6.62150s) stopped
T25 >> 1462778025.19710803 Send coefs to domains (71.33556s) started
T25 << 1462778025.52013302 Send coefs to domains (71.65859s) stopped
T25 << 1462778025.52063894 Blacs Orbital Layouts (19332.57462s) stopped
T25 >> 1462778025.52068090 Calculate projections (1640.83330s) started
T25 << 1462778030.49332690 Calculate projections (1645.80595s) stopped
T25 << 1462778030.49350595 LCAO eigensolver (23999.70993s) stopped
T25 >> 1462778031.84976292 Density (5141.95597s) started
T25 >> 1462778031.84978008 Pseudo density (4204.27688s) started
T25 >> 1462778031.85145593 Calculate density matrix (3707.52870s) started
T25 << 1462778044.66247106 Calculate density matrix (3720.33972s) stopped
T25 >> 1462778044.66253209 Construct density (483.81648s) started
T25 << 1462778046.31437492 Construct density (485.46832s) stopped
T25 >> 1462778046.32700491 Symmetrize density (0.02336s) started
T25 << 1462778046.32706904 Symmetrize density (0.02343s) stopped
T25 << 1462778046.32915497 Pseudo density (4218.75626s) stopped
T25 >> 1462778046.32921600 Atomic density matrices (780.72148s) started
T25 << 1462778049.12092710 Atomic density matrices (783.51319s) stopped
T25 >> 1462778049.12098408 Multipole moments (2.93186s) started
T25 << 1462778049.13357806 Multipole moments (2.94445s) stopped
T25 >> 1462778049.13364506 Normalize (2.47264s) started
T25 << 1462778049.14094710 Normalize (2.47995s) stopped
T25 >> 1462778049.14100599 Mix (151.51779s) started
T25 << 1462778049.61820412 Mix (151.99499s) stopped
T25 << 1462778049.61830711 Density (5159.72451s) stopped
T25 >> 1462778049.61866593 Hamiltonian (42533.60287s) started
T25 >> 1462778049.61869597 vbar (8.13200s) started
T25 << 1462778049.65617609 vbar (8.16948s) stopped
T25 >> 1462778049.65633702 XC 3D grid (36430.39511s) started
T25 >> 1462778050.15744400 van der Waals (36135.69975s) started
T25 >> 1462778050.28860998 semilocal (26673.29100s) started
T25 << 1462778057.02490592 semilocal (26680.02729s) stopped
T25 >> 1462778057.10150409 redistribute (3758.28138s) started
T25 << 1462778087.46704292 redistribute (3788.64692s) stopped
T25 >> 1462778087.46715903 libvdwxc nonlocal (5641.41927s) started
T25 << 1462778106.44389296 libvdwxc nonlocal (5660.39601s) stopped
T25 >> 1462778106.44395399 redistribute (3788.64695s) started
T25 << 1462778108.43249393 redistribute (3790.63549s) stopped
T25 << 1462778108.43384790 van der Waals (36193.97616s) stopped
T25 << 1462778108.93221307 XC 3D grid (36489.67098s) stopped
T25 >> 1462778108.93225408 Poisson (2266.35022s) started
T25 << 1462778114.74824810 Poisson (2272.16621s) stopped
T25 >> 1462778114.74830508 Hartree integrate/restrict (115.16500s) started
T25 << 1462778114.79329491 Hartree integrate/restrict (115.20999s) stopped
T25 >> 1462778114.79334402 Hartree integrate/restrict (115.21002s) started
T25 << 1462778115.13021207 Hartree integrate/restrict (115.54689s) stopped
T25 >> 1462778115.19078898 Atomic (3309.47159s) started
T25 >> 1462778115.21362209 XC Correction (2492.54561s) started
T25 << 1462778126.19840193 XC Correction (2503.53039s) stopped
T25 << 1462778131.44143796 Atomic (3325.72223s) stopped
T25 >> 1462778131.44175506 Communicate (386.80766s) started
T25 << 1462778131.44187593 Communicate (386.80778s) stopped
T25 << 1462778131.44189906 Hamiltonian (42615.42611s) stopped
T25 >> 1462778131.44200706 LCAO eigensolver (23999.70995s) started
T25 >> 1462778131.44202209 Potential matrix (802.77981s) started
T25 << 1462778133.86723900 Potential matrix (805.20503s) stopped
T25 >> 1462778133.86733794 DistributedAtomicCorrection (339.67325s) started
T25 << 1462778134.95741701 DistributedAtomicCorrection (340.76333s) stopped
T25 >> 1462778134.95751691 Distribute overlap matrix (1876.91828s) started
T25 >> 1462778134.95754290 blocked summation (1836.02623s) started
T25 << 1462778140.84333396 blocked summation (1841.91202s) stopped
T25 >> 1462778140.85294604 Scalapack redistribute (37.69070s) started
T25 << 1462778140.97912407 Scalapack redistribute (37.81688s) stopped
T25 << 1462778140.97921610 Distribute overlap matrix (1882.93997s) stopped
T25 >> 1462778140.98617101 Blacs Orbital Layouts (19332.57463s) started
T25 >> 1462778140.99509597 General diagonalize (19251.30182s) started
T25 << 1462778196.82930589 General diagonalize (19307.13603s) stopped
T25 >> 1462778196.82938695 Redistribute coefs (6.62155s) started
T25 << 1462778196.84467602 Redistribute coefs (6.63684s) stopped
T25 >> 1462778196.84471798 Send coefs to domains (71.65863s) started
T25 << 1462778196.98702693 Send coefs to domains (71.80094s) stopped
T25 << 1462778196.98753595 Blacs Orbital Layouts (19388.57600s) stopped
T25 >> 1462778196.98769307 Calculate projections (1645.80600s) started
T25 << 1462778201.94437599 Calculate projections (1650.76269s) stopped
T25 << 1462778201.94469810 LCAO eigensolver (24070.21264s) stopped
T25 >> 1462778203.20808601 Density (5159.72453s) started
T25 >> 1462778203.20810294 Pseudo density (4218.75631s) started
T25 >> 1462778203.20933890 Calculate density matrix (3720.33976s) started
T25 << 1462778215.96258807 Calculate density matrix (3733.09300s) stopped
T25 >> 1462778215.96264601 Construct density (485.46837s) started
T25 << 1462778217.60710812 Construct density (487.11284s) stopped
T25 >> 1462778217.61936092 Symmetrize density (0.02344s) started
T25 << 1462778217.61942410 Symmetrize density (0.02351s) stopped
T25 << 1462778217.62149596 Pseudo density (4233.16970s) stopped
T25 >> 1462778217.62155604 Atomic density matrices (783.51322s) started
T25 << 1462778220.42284203 Atomic density matrices (786.31450s) stopped
T25 >> 1462778220.42289591 Multipole moments (2.94447s) started
T25 << 1462778220.43605590 Multipole moments (2.95763s) stopped
T25 >> 1462778220.43612099 Normalize (2.47999s) started
T25 << 1462778220.44329190 Normalize (2.48716s) stopped
T25 >> 1462778220.44335103 Mix (151.99509s) started
T25 << 1462778221.02171707 Mix (152.57345s) stopped
T25 << 1462778221.02178693 Density (5177.53823s) stopped
T25 >> 1462778221.02203894 Hamiltonian (42615.42612s) started
T25 >> 1462778221.02206612 vbar (8.16957s) started
T25 << 1462778221.04606605 vbar (8.19357s) stopped
T25 >> 1462778221.04619789 XC 3D grid (36489.67102s) started
T25 >> 1462778221.53778911 van der Waals (36193.97622s) started
T25 >> 1462778221.67494202 semilocal (26680.02740s) started
T25 << 1462778228.41804004 semilocal (26686.77049s) stopped
T25 >> 1462778228.48356509 redistribute (3790.63558s) started
T25 << 1462778230.98397589 redistribute (3793.13599s) stopped
T25 >> 1462778230.98409510 libvdwxc nonlocal (5660.39605s) started
T25 << 1462778249.95622396 libvdwxc nonlocal (5679.36818s) stopped
T25 >> 1462778249.95628500 redistribute (3793.13602s) started
T25 << 1462778251.73976302 redistribute (3794.91950s) stopped
T25 << 1462778251.74179602 van der Waals (36224.18023s) stopped
T25 << 1462778252.23350310 XC 3D grid (36520.85832s) stopped
T25 >> 1462778252.23354697 Poisson (2272.16625s) started
T25 << 1462778256.56671810 Poisson (2276.49942s) stopped
T25 >> 1462778256.56678200 Hartree integrate/restrict (115.54696s) started
T25 << 1462778256.60883498 Hartree integrate/restrict (115.58901s) stopped
T25 >> 1462778256.60896707 Hartree integrate/restrict (115.58911s) started
T25 << 1462778256.96373606 Hartree integrate/restrict (115.94387s) stopped
T25 >> 1462778257.02272797 Atomic (3325.72226s) started
T25 >> 1462778257.04581690 XC Correction (2503.53041s) started
T25 << 1462778268.09761500 XC Correction (2514.58221s) stopped
T25 << 1462778272.99990702 Atomic (3341.69944s) stopped
T25 >> 1462778273.00214291 Communicate (386.80780s) started
T25 << 1462778273.00226808 Communicate (386.80792s) stopped
T25 << 1462778273.00229311 Hamiltonian (42667.40637s) stopped
T25 >> 1462778273.00239611 LCAO eigensolver (24070.21266s) started
T25 >> 1462778273.00241089 Potential matrix (805.20508s) started
T25 << 1462778275.41417098 Potential matrix (807.61684s) stopped
T25 >> 1462778275.41426110 DistributedAtomicCorrection (340.76338s) started
T25 << 1462778276.50530601 DistributedAtomicCorrection (341.85442s) stopped
T25 >> 1462778276.50543690 Distribute overlap matrix (1882.93999s) started
T25 >> 1462778276.50546098 blocked summation (1841.91205s) started
T25 << 1462778282.41032195 blocked summation (1847.81692s) stopped
T25 >> 1462778282.42070198 Scalapack redistribute (37.81695s) started
T25 << 1462778282.51624799 Scalapack redistribute (37.91249s) stopped
T25 << 1462778282.51631308 Distribute overlap matrix (1888.95087s) stopped
T25 >> 1462778282.52131200 Blacs Orbital Layouts (19388.57602s) started
T25 >> 1462778282.52932191 General diagonalize (19307.13609s) started
T25 << 1462778342.24090910 General diagonalize (19366.84768s) stopped
T25 >> 1462778342.24097991 Redistribute coefs (6.63687s) started
T25 << 1462778342.25650311 Redistribute coefs (6.65239s) stopped
T25 >> 1462778342.25654697 Send coefs to domains (71.80098s) started
T25 << 1462778342.46421099 Send coefs to domains (72.00864s) stopped
T25 << 1462778342.46491194 Blacs Orbital Layouts (19448.51962s) stopped
T25 >> 1462778342.46495509 Calculate projections (1650.76275s) started
T25 << 1462778347.41978598 Calculate projections (1655.71758s) stopped
T25 << 1462778347.42020106 LCAO eigensolver (24144.63047s) stopped
T25 >> 1462778348.77466393 Density (5177.53824s) started
T25 >> 1462778348.77467895 Pseudo density (4233.16975s) started
T25 >> 1462778348.77595806 Calculate density matrix (3733.09304s) started
T25 << 1462778361.57132912 Calculate density matrix (3745.88841s) stopped
T25 >> 1462778361.57138491 Construct density (487.11290s) started
T25 << 1462778363.21955395 Construct density (488.76107s) stopped
T25 >> 1462778363.23231792 Symmetrize density (0.02352s) started
T25 << 1462778363.23238111 Symmetrize density (0.02359s) stopped
T25 << 1462778363.23447299 Pseudo density (4247.62954s) stopped
T25 >> 1462778363.23453498 Atomic density matrices (786.31453s) started
T25 << 1462778366.06909394 Atomic density matrices (789.14909s) stopped
T25 >> 1462778366.06914711 Multipole moments (2.95765s) started
T25 << 1462778366.08179903 Multipole moments (2.97030s) stopped
T25 >> 1462778366.08186197 Normalize (2.48720s) started
T25 << 1462778366.08894300 Normalize (2.49428s) stopped
T25 >> 1462778366.08901310 Mix (152.57352s) started
T25 << 1462778366.63710690 Mix (153.12161s) stopped
T25 << 1462778366.63716602 Density (5195.40074s) stopped
T25 >> 1462778366.63742304 Hamiltonian (42667.40638s) started
T25 >> 1462778366.63744307 vbar (8.19364s) started
T25 << 1462778366.66142201 vbar (8.21762s) stopped
T25 >> 1462778366.66156507 XC 3D grid (36520.85835s) started
T25 >> 1462778367.17470789 van der Waals (36224.18028s) started
T25 >> 1462778367.30616093 semilocal (26686.77056s) started
T25 << 1462780118.54017997 semilocal (28438.00458s) stopped
T25 >> 1462780118.61719704 redistribute (3794.91957s) started
T25 << 1462780119.89716101 redistribute (3796.19953s) stopped
T25 >> 1462780119.89727998 libvdwxc nonlocal (5679.36823s) started
T25 << 1462780138.60268307 libvdwxc nonlocal (5698.07363s) stopped
T25 >> 1462780138.60275793 redistribute (3796.19957s) started
T25 << 1462780140.54870296 redistribute (3798.14551s) stopped
T25 << 1462780140.55056000 van der Waals (37997.55613s) stopped
T25 << 1462780141.03783011 XC 3D grid (38295.23462s) stopped
T25 >> 1462780141.03788996 Poisson (2276.49947s) started
T25 << 1462780145.49214101 Poisson (2280.95372s) stopped
T25 >> 1462780145.49220395 Hartree integrate/restrict (115.94392s) started
T25 << 1462780145.53456593 Hartree integrate/restrict (115.98628s) stopped
T25 >> 1462780145.53463292 Hartree integrate/restrict (115.98632s) started
T25 << 1462780145.88131499 Hartree integrate/restrict (116.33301s) stopped
T25 >> 1462780145.94288206 Atomic (3341.69946s) started
T25 >> 1462780145.96635795 XC Correction (2514.58224s) started
T25 << 1462780157.08874607 XC Correction (2525.70463s) stopped
T25 << 1462780161.90597010 Atomic (3357.66255s) stopped
T25 >> 1462780161.90624809 Communicate (386.80794s) started
T25 << 1462780161.90666604 Communicate (386.80835s) stopped
T25 << 1462780161.90668797 Hamiltonian (44462.67565s) stopped
T25 >> 1462780161.90678811 LCAO eigensolver (24144.63048s) started
T25 >> 1462780161.90680289 Potential matrix (807.61689s) started
T25 << 1462780164.31684589 Potential matrix (810.02694s) stopped
T25 >> 1462780164.31693101 DistributedAtomicCorrection (341.85449s) started
T25 << 1462780165.38315010 DistributedAtomicCorrection (342.92071s) stopped
T25 >> 1462780165.38324690 Distribute overlap matrix (1888.95088s) started
T25 >> 1462780165.38327408 blocked summation (1847.81695s) started
T25 << 1462780171.41856003 blocked summation (1853.85224s) stopped
T25 >> 1462780171.42890310 Scalapack redistribute (37.91253s) started
T25 << 1462780171.54989600 Scalapack redistribute (38.03352s) stopped
T25 << 1462780171.54999709 Distribute overlap matrix (1895.11763s) stopped
T25 >> 1462780171.55582905 Blacs Orbital Layouts (19448.51963s) started
T25 >> 1462780171.56527996 General diagonalize (19366.84774s) started
T25 << 1462780235.83548689 General diagonalize (19431.11795s) stopped
T25 >> 1462780235.83553696 Redistribute coefs (6.65243s) started
T25 << 1462780235.85957289 Redistribute coefs (6.67646s) stopped
T25 >> 1462780235.85961008 Send coefs to domains (72.00868s) started
T25 << 1462780236.13248396 Send coefs to domains (72.28155s) stopped
T25 << 1462780236.13306189 Blacs Orbital Layouts (19513.09687s) stopped
T25 >> 1462780236.13310504 Calculate projections (1655.71763s) started
T25 << 1462780241.06939101 Calculate projections (1660.65392s) stopped
T25 << 1462780241.06978989 LCAO eigensolver (24223.79348s) stopped
T25 << 1462780242.36707401 SCF-cycle (74342.00652s) stopped
T25 >> 1462780245.19693398 Force calculation (3490.89503s) started
T25 >> 1462780245.19701600 LCAO forces (3130.63677s) started
T25 >> 1462780245.19739294 Initial (0.00089s) started
T25 << 1462780245.19740391 Initial (0.00090s) stopped
T25 >> 1462780245.20872211 Get density matrix (1461.30759s) started
T25 << 1462780254.61209607 Get density matrix (1470.71096s) stopped
T25 >> 1462780254.61214304 Potential (497.62780s) started
T25 << 1462780267.19342399 Potential (510.20908s) stopped
T25 >> 1462780267.19347692 Get density matrix (1470.71100s) started
T25 << 1462780294.24384904 Get density matrix (1497.76137s) stopped
T25 >> 1462780294.24392605 Prepare TCI loop (99.18529s) started
T25 >> 1462780294.24448800 Get neighbors (89.16499s) started
T25 << 1462780296.50632691 Get neighbors (91.42683s) stopped
T25 >> 1462780296.50753808 broadcast dH (9.96705s) started
T25 << 1462780296.80875802 broadcast dH (10.26827s) stopped
T25 << 1462780296.80880594 Prepare TCI loop (101.75017s) stopped
T25 >> 1462780296.80882502 Not so complicated loop (419.91906s) started
T25 << 1462780307.35501504 Not so complicated loop (430.46525s) stopped
T25 >> 1462780307.47179294 Complicated loop (647.41579s) started
T25 << 1462780323.84193993 Complicated loop (663.78594s) stopped
T25 >> 1462780323.84568405 Wait for sum (0.00427s) started
T25 << 1462780323.84577107 Wait for sum (0.00436s) stopped
T25 << 1462780323.84578609 LCAO forces (3209.28554s) stopped
T25 << 1462780331.93334198 Force calculation (3577.63144s) stopped
T25 >> 1462780331.95338702 Initialization (5341.72737s) started
T25 << 1462780331.95358610 Initialization (5341.72757s) stopped
T25 >> 1462780331.95387697 Initialization (5341.72759s) started
T25 << 1462780331.95402789 Initialization (5341.72774s) stopped
T25 >> 1462780331.95418191 Initialization (5341.72776s) started
T25 << 1462780331.95433307 Initialization (5341.72791s) stopped
T25 >> 1462780355.32779288 Initialization (5341.72793s) started
T25 >> 1462780355.48039603 Basic WFS set positions (5.76236s) started
T25 >> 1462780355.48042011 Redistribute (0.29437s) started
T25 << 1462780355.48055291 Redistribute (0.29451s) stopped
T25 << 1462780355.64927006 Basic WFS set positions (5.93124s) stopped
T25 >> 1462780355.64933205 Basis functions set positions (85.10621s) started
T25 << 1462780357.91912889 Basis functions set positions (87.37601s) stopped
T25 >> 1462780357.92754889 TCI: Calculate S, T, P (1048.18015s) started
T25 << 1462780386.35961795 TCI: Calculate S, T, P (1076.61221s) stopped
T25 >> 1462780386.35972190 blocked summation (1117.29463s) started
T25 << 1462780422.70666790 blocked summation (1153.64157s) stopped
T25 >> 1462780422.72088790 Scalapack redistribute (12.01799s) started
T25 << 1462780422.82571793 Scalapack redistribute (12.12282s) stopped
T25 >> 1462780422.82690692 blocked summation (1153.64164s) started
T25 << 1462780424.14914989 blocked summation (1154.96389s) stopped
T25 >> 1462780424.15859890 Scalapack redistribute (12.12289s) started
T25 << 1462780424.34096098 Scalapack redistribute (12.30525s) stopped
T25 >> 1462780424.34489012 Redistribute (0.83602s) started
T25 << 1462780424.34616399 Redistribute (0.83730s) stopped
T25 >> 1462780426.42449999 Redistribute (0.83732s) started
T25 << 1462780426.42594695 Redistribute (0.83877s) stopped
T25 >> 1462780426.45014191 LCAO WFS Initialize (2972.45895s) started
T25 >> 1462780426.45017099 Density initialize from wavefunctions (592.46755s) started
T25 >> 1462780426.45400095 Calculate density matrix (403.18323s) started
T25 << 1462780436.47255492 Calculate density matrix (413.20179s) stopped
T25 >> 1462780436.47261405 Construct density (65.67733s) started
T25 << 1462780438.13591504 Construct density (67.34063s) stopped
T25 >> 1462780438.14881897 Symmetrize density (0.00313s) started
T25 << 1462780438.14887595 Symmetrize density (0.00318s) stopped
T25 << 1462780441.28402805 Density initialize from wavefunctions (607.30141s) stopped
T25 >> 1462780441.28504491 Hamiltonian (2378.94433s) started
T25 >> 1462780441.28508306 vbar (1.01931s) started
T25 << 1462780441.31186604 vbar (1.04610s) stopped
T25 >> 1462780441.31200099 XC 3D grid (1232.00744s) started
T25 >> 1462780441.81924891 van der Waals (1191.10842s) started
T25 >> 1462780441.95077610 semilocal (274.06899s) started
T25 << 1462780448.58337688 semilocal (280.70159s) stopped
T25 >> 1462780448.64692307 redistribute (124.71973s) started
T25 << 1462780449.98730612 redistribute (126.06011s) stopped
T25 >> 1462780449.98741889 libvdwxc nonlocal (783.98645s) started
T25 << 1462780468.69730711 libvdwxc nonlocal (802.69634s) stopped
T25 >> 1462780468.69738507 redistribute (126.06015s) started
T25 << 1462780470.36859488 redistribute (127.73136s) stopped
T25 << 1462780470.37032199 van der Waals (1219.65950s) stopped
T25 << 1462780470.86952209 XC 3D grid (1261.56496s) stopped
T25 >> 1462780470.86957598 Poisson (560.87565s) started
T25 << 1462780482.60857105 Poisson (572.61465s) stopped
T25 >> 1462780482.60863209 Hartree integrate/restrict (16.29425s) started
T25 << 1462780482.65096688 Hartree integrate/restrict (16.33658s) stopped
T25 >> 1462780482.65108490 Hartree integrate/restrict (16.33667s) started
T25 << 1462780482.99010992 Hartree integrate/restrict (16.67569s) stopped
T25 >> 1462780483.05163503 Atomic (543.11252s) started
T25 >> 1462780483.07436609 XC Correction (394.84709s) started
T25 << 1462780494.90106797 XC Correction (406.67380s) stopped
T25 << 1462780499.67313790 Atomic (559.73402s) stopped
T25 >> 1462780499.67357492 Communicate (23.12692s) started
T25 << 1462780499.67371607 Communicate (23.12707s) stopped
T25 << 1462780499.67373800 Hamiltonian (2437.33302s) stopped
T25 << 1462780499.67379904 LCAO WFS Initialize (3045.68261s) stopped
T25 << 1462780499.68640304 Initialization (5486.08654s) stopped
T25 >> 1462780499.71687508 SCF-cycle (74342.00654s) started
T25 >> 1462780499.71692896 LCAO eigensolver (24223.79350s) started
T25 >> 1462780499.71694207 Potential matrix (810.02698s) started
T25 << 1462780502.12933803 Potential matrix (812.43938s) stopped
T25 >> 1462780502.12943196 DistributedAtomicCorrection (342.92075s) started
T25 << 1462780503.22487211 DistributedAtomicCorrection (344.01619s) stopped
T25 >> 1462780503.22496891 Distribute overlap matrix (1895.11764s) started
T25 >> 1462780503.22499299 blocked summation (1853.85227s) started
T25 << 1462780508.96611309 blocked summation (1859.59339s) stopped
T25 >> 1462780508.97520399 Scalapack redistribute (38.03358s) started
T25 << 1462780509.07831001 Scalapack redistribute (38.13668s) stopped
T25 << 1462780509.07838202 Distribute overlap matrix (1900.97106s) stopped
T25 >> 1462780509.08344007 Blacs Orbital Layouts (19513.09689s) started
T25 >> 1462780509.09131098 General diagonalize (19431.11798s) started
T25 << 1462780569.27085710 General diagonalize (19491.29753s) stopped
T25 >> 1462780569.27090502 Redistribute coefs (6.67649s) started
T25 << 1462780569.28711796 Redistribute coefs (6.69270s) stopped
T25 >> 1462780569.28716207 Send coefs to domains (72.28159s) started
T25 << 1462780569.44905901 Send coefs to domains (72.44349s) stopped
T25 << 1462780569.44966507 Blacs Orbital Layouts (19573.46311s) stopped
T25 >> 1462780569.44969296 Calculate projections (1660.65397s) started
T25 << 1462780574.37150502 Calculate projections (1665.57578s) stopped
T25 << 1462780574.37169695 LCAO eigensolver (24298.44827s) stopped
T25 >> 1462780575.55657196 Density (5195.40076s) started
T25 >> 1462780575.55658698 Pseudo density (4247.62959s) started
T25 >> 1462780575.55805206 Calculate density matrix (3745.88845s) started
T25 << 1462780588.45501089 Calculate density matrix (3758.78541s) stopped
T25 >> 1462780588.45507312 Construct density (488.76112s) started
T25 << 1462780590.11686397 Construct density (490.42291s) stopped
T25 >> 1462780590.13006091 Symmetrize density (0.02360s) started
T25 << 1462780590.13011694 Symmetrize density (0.02366s) stopped
T25 << 1462780590.13224101 Pseudo density (4262.20525s) stopped
T25 >> 1462780590.13229895 Atomic density matrices (789.14911s) started
T25 << 1462780592.84604502 Atomic density matrices (791.86286s) stopped
T25 >> 1462780592.84610105 Multipole moments (2.97032s) started
T25 << 1462780592.85843301 Multipole moments (2.98265s) stopped
T25 >> 1462780592.85849500 Normalize (2.49433s) started
T25 << 1462780592.86524105 Normalize (2.50108s) stopped
T25 >> 1462780592.86530709 Mix (153.12167s) started
T25 << 1462780593.29031396 Mix (153.54668s) stopped
T25 << 1462780593.29040504 Density (5213.13459s) stopped
T25 >> 1462780593.29070210 Hamiltonian (44462.67566s) started
T25 >> 1462780593.29072595 vbar (8.21771s) started
T25 << 1462780593.31742907 vbar (8.24441s) stopped
T25 >> 1462780593.31753993 XC 3D grid (38295.23467s) started
T25 >> 1462780593.81424809 van der Waals (37997.55618s) started
T25 >> 1462780593.94620609 semilocal (28438.00468s) started
T25 << 1462780600.63224006 semilocal (28444.69071s) stopped
T25 >> 1462780600.70894003 redistribute (3798.14559s) started
T25 << 1462780602.06919289 redistribute (3799.50585s) stopped
T25 >> 1462780602.06930995 libvdwxc nonlocal (5698.07369s) started
T25 << 1462780621.11805105 libvdwxc nonlocal (5717.12243s) stopped
T25 >> 1462780621.11811996 redistribute (3799.50588s) started
T25 << 1462780622.84123111 redistribute (3801.22900s) stopped
T25 << 1462780622.84310699 van der Waals (38026.58504s) stopped
T25 << 1462780623.34271097 XC 3D grid (38325.25984s) stopped
T25 >> 1462780623.34275603 Poisson (2280.95376s) started
T25 << 1462780627.85920191 Poisson (2285.47021s) stopped
T25 >> 1462780627.85926390 Hartree integrate/restrict (116.33307s) started
T25 << 1462780627.90766811 Hartree integrate/restrict (116.38148s) stopped
T25 >> 1462780627.90771389 Hartree integrate/restrict (116.38151s) started
T25 << 1462780628.25599408 Hartree integrate/restrict (116.72979s) stopped
T25 >> 1462780628.32045698 Atomic (3357.66257s) started
T25 >> 1462780628.34281397 XC Correction (2525.70465s) started
T25 << 1462780639.96822906 XC Correction (2537.33006s) stopped
T25 << 1462780644.98865795 Atomic (3374.33077s) stopped
T25 >> 1462780644.98900795 Communicate (386.80837s) started
T25 << 1462780644.98912501 Communicate (386.80849s) stopped
T25 << 1462780644.98914909 Hamiltonian (44514.37411s) stopped
T25 >> 1462780644.98924804 LCAO eigensolver (24298.44829s) started
T25 >> 1462780644.98926401 Potential matrix (812.43943s) started
T25 << 1462780647.40156889 Potential matrix (814.85174s) stopped
T25 >> 1462780647.40165997 DistributedAtomicCorrection (344.01623s) started
T25 << 1462780648.50939298 DistributedAtomicCorrection (345.12396s) stopped
T25 >> 1462780648.50949097 Distribute overlap matrix (1900.97107s) started
T25 >> 1462780648.50951505 blocked summation (1859.59342s) started
T25 << 1462780654.35682797 blocked summation (1865.44073s) stopped
T25 >> 1462780654.36626101 Scalapack redistribute (38.13672s) started
T25 << 1462780654.47633290 Scalapack redistribute (38.24679s) stopped
T25 << 1462780654.47641993 Distribute overlap matrix (1906.93800s) stopped
T25 >> 1462780654.48124003 Blacs Orbital Layouts (19573.46313s) started
T25 >> 1462780654.48912692 General diagonalize (19491.29757s) started
T25 << 1462780714.33140993 General diagonalize (19551.13985s) stopped
T25 >> 1462780714.33146191 Redistribute coefs (6.69274s) started
T25 << 1462780714.34865403 Redistribute coefs (6.70993s) stopped
T25 >> 1462780714.34869599 Send coefs to domains (72.44352s) started
T25 << 1462780714.51995802 Send coefs to domains (72.61478s) stopped
T25 << 1462780714.52064610 Blacs Orbital Layouts (19633.50254s) stopped
T25 >> 1462780714.52079797 Calculate projections (1665.57584s) started
T25 << 1462780719.44954205 Calculate projections (1670.50458s) stopped
T25 << 1462780719.44989800 LCAO eigensolver (24372.90894s) stopped
T25 >> 1462780720.65508199 Density (5213.13461s) started
T25 >> 1462780720.65509701 Pseudo density (4262.20529s) started
T25 >> 1462780720.65644789 Calculate density matrix (3758.78545s) started
T25 << 1462780733.53252506 Calculate density matrix (3771.66153s) stopped
T25 >> 1462780733.53258109 Construct density (490.42296s) started
T25 << 1462780735.18275309 Construct density (492.07313s) stopped
T25 >> 1462780735.19556499 Symmetrize density (0.02368s) started
T25 << 1462780735.19562197 Symmetrize density (0.02373s) stopped
T25 << 1462780735.19772100 Pseudo density (4276.74792s) stopped
T25 >> 1462780735.19777608 Atomic density matrices (791.86289s) started
T25 << 1462780737.89239001 Atomic density matrices (794.55750s) stopped
T25 >> 1462780737.89244390 Multipole moments (2.98267s) started
T25 << 1462780737.90667892 Multipole moments (2.99691s) stopped
T25 >> 1462780737.90674090 Normalize (2.50112s) started
T25 << 1462780737.91358304 Normalize (2.50797s) stopped
T25 >> 1462780737.91363406 Mix (153.54676s) started
T25 << 1462780738.36643100 Mix (153.99956s) stopped
T25 << 1462780738.36654210 Density (5230.84607s) stopped
T25 >> 1462780738.36690998 Hamiltonian (44514.37412s) started
T25 >> 1462780738.36693311 vbar (8.24447s) started
T25 << 1462780738.39951801 vbar (8.27706s) stopped
T25 >> 1462780738.39963508 XC 3D grid (38325.25987s) started
T25 >> 1462780738.90473008 van der Waals (38026.58513s) started
T25 >> 1462780739.03769588 semilocal (28444.69082s) started
T25 << 1462780745.65941906 semilocal (28451.31255s) stopped
T25 >> 1462780745.72511601 redistribute (3801.22908s) started
T25 << 1462780746.81612706 redistribute (3802.32009s) stopped
T25 >> 1462780746.81623793 libvdwxc nonlocal (5717.12248s) started
T25 << 1462780766.96097207 libvdwxc nonlocal (5737.26721s) stopped
T25 >> 1462780766.96104002 redistribute (3802.32012s) started
T25 << 1462780768.57248902 redistribute (3803.93157s) stopped
T25 << 1462780768.57517600 van der Waals (38056.25558s) stopped
T25 << 1462780769.06561494 XC 3D grid (38355.92585s) stopped
T25 >> 1462780769.06565905 Poisson (2285.47025s) started
T25 << 1462780775.03477907 Poisson (2291.43937s) stopped
T25 >> 1462780775.03488111 Hartree integrate/restrict (116.72986s) started
T25 << 1462780775.10265398 Hartree integrate/restrict (116.79763s) stopped
T25 >> 1462780775.10270691 Hartree integrate/restrict (116.79767s) started
T25 << 1462780775.42241907 Hartree integrate/restrict (117.11738s) stopped
T25 >> 1462780775.48369598 Atomic (3374.33079s) started
T25 >> 1462780775.50561595 XC Correction (2537.33009s) started
T25 << 1462780786.66390491 XC Correction (2548.48838s) stopped
T25 << 1462780792.24223995 Atomic (3391.08934s) stopped
T25 >> 1462780792.24257112 Communicate (386.80850s) started
T25 << 1462780792.24268508 Communicate (386.80861s) stopped
T25 << 1462780792.24270797 Hamiltonian (44568.24992s) stopped
T25 >> 1462780792.24280691 LCAO eigensolver (24372.90896s) started
T25 >> 1462780792.24282193 Potential matrix (814.85179s) started
T25 << 1462780794.64356804 Potential matrix (817.25254s) stopped
T25 >> 1462780794.64364910 DistributedAtomicCorrection (345.12400s) started
T25 << 1462780795.73087406 DistributedAtomicCorrection (346.21122s) stopped
T25 >> 1462780795.73096991 Distribute overlap matrix (1906.93801s) started
T25 >> 1462780795.73099399 blocked summation (1865.44077s) started
T25 << 1462780801.54891610 blocked summation (1871.25869s) stopped
T25 >> 1462780801.55813694 Scalapack redistribute (38.24685s) started
T25 << 1462780801.66066599 Scalapack redistribute (38.34938s) stopped
T25 << 1462780801.66075301 Distribute overlap matrix (1912.86779s) stopped
T25 >> 1462780801.66563606 Blacs Orbital Layouts (19633.50256s) started
T25 >> 1462780801.67391300 General diagonalize (19551.13989s) started
T25 << 1462780857.71127391 General diagonalize (19607.17725s) stopped
T25 >> 1462780857.71132302 Redistribute coefs (6.70996s) started
T25 << 1462780857.74669504 Redistribute coefs (6.74534s) stopped
T25 >> 1462780857.74673295 Send coefs to domains (72.61482s) started
T25 << 1462780858.01823401 Send coefs to domains (72.88632s) stopped
T25 << 1462780858.01886201 Blacs Orbital Layouts (19689.85578s) stopped
T25 >> 1462780858.01889396 Calculate projections (1670.50463s) started
T25 << 1462780862.93653393 Calculate projections (1675.42227s) stopped
T25 << 1462780862.93688893 LCAO eigensolver (24443.60304s) stopped
T25 >> 1462780864.16235900 Density (5230.84609s) started
T25 >> 1462780864.16237402 Pseudo density (4276.74796s) started
T25 >> 1462780864.16365790 Calculate density matrix (3771.66157s) started
T25 << 1462780877.01481605 Calculate density matrix (3784.51273s) stopped
T25 >> 1462780877.01487589 Construct density (492.07318s) started
T25 << 1462780878.67126799 Construct density (493.72957s) stopped
T25 >> 1462780878.68426800 Symmetrize density (0.02375s) started
T25 << 1462780878.68432593 Symmetrize density (0.02381s) stopped
T25 << 1462780878.68641591 Pseudo density (4291.27200s) stopped
T25 >> 1462780878.68647289 Atomic density matrices (794.55753s) started
T25 << 1462780881.34899306 Atomic density matrices (797.22005s) stopped
T25 >> 1462780881.34905195 Multipole moments (2.99692s) started
T25 << 1462780881.36478996 Multipole moments (3.01266s) stopped
T25 >> 1462780881.36485004 Normalize (2.50800s) started
T25 << 1462780881.37175298 Normalize (2.51491s) stopped
T25 >> 1462780881.37180209 Mix (153.99967s) started
T25 << 1462780881.85339403 Mix (154.48126s) stopped
T25 << 1462780881.85346007 Density (5248.53719s) stopped
T25 >> 1462780881.85374999 Hamiltonian (44568.24994s) started
T25 >> 1462780881.85376811 vbar (8.27712s) started
T25 << 1462780881.88283801 vbar (8.30619s) stopped
T25 >> 1462780881.88296390 XC 3D grid (38355.92589s) started
T25 >> 1462780882.37816501 van der Waals (38056.25563s) started
T25 >> 1462780882.51200604 semilocal (28451.31263s) started
T25 << 1462780889.01256800 semilocal (28457.81319s) stopped
T25 >> 1462780889.08302212 redistribute (3803.93169s) started
T25 << 1462780893.84709597 redistribute (3808.69577s) stopped
T25 >> 1462780893.84720802 libvdwxc nonlocal (5737.26725s) started
T25 << 1462780912.80185604 libvdwxc nonlocal (5756.22190s) stopped
T25 >> 1462780912.80191803 redistribute (3808.69580s) started
T25 << 1462780914.56436610 redistribute (3810.45825s) stopped
T25 << 1462780914.56677794 van der Waals (38088.44425s) stopped
T25 << 1462780915.05765390 XC 3D grid (38389.10058s) stopped
T25 >> 1462780915.05769610 Poisson (2291.43944s) started
T25 << 1462780920.94473910 Poisson (2297.32649s) stopped
T25 >> 1462780920.94485307 Hartree integrate/restrict (117.11742s) started
T25 << 1462780920.98773599 Hartree integrate/restrict (117.16031s) stopped
T25 >> 1462780920.98784590 Hartree integrate/restrict (117.16039s) started
T25 << 1462780921.32597089 Hartree integrate/restrict (117.49851s) stopped
T25 >> 1462780921.38111997 Atomic (3391.08936s) started
T25 >> 1462780921.40313506 XC Correction (2548.48841s) started
T25 << 1462780932.44602990 XC Correction (2559.53130s) stopped
T25 << 1462780937.35889196 Atomic (3407.06713s) stopped
T25 >> 1462780937.35926700 Communicate (386.80863s) started
T25 << 1462780937.35938907 Communicate (386.80875s) stopped
T25 << 1462780937.35941291 Hamiltonian (44623.75560s) stopped
T25 >> 1462780937.35951996 LCAO eigensolver (24443.60306s) started
T25 >> 1462780937.35953498 Potential matrix (817.25258s) started
T25 << 1462780939.78366399 Potential matrix (819.67671s) stopped
T25 >> 1462780939.78376198 DistributedAtomicCorrection (346.21126s) started
T25 << 1462780940.88040090 DistributedAtomicCorrection (347.30790s) stopped
T25 >> 1462780940.88049889 Distribute overlap matrix (1912.86781s) started
T25 >> 1462780940.88052607 blocked summation (1871.25873s) started
T25 << 1462780946.65669990 blocked summation (1877.03490s) stopped
T25 >> 1462780946.66659093 Scalapack redistribute (38.34943s) started
T25 << 1462780946.78642988 Scalapack redistribute (38.46927s) stopped
T25 << 1462780946.78649712 Distribute overlap matrix (1918.77380s) stopped
T25 >> 1462780946.79226899 Blacs Orbital Layouts (19689.85580s) started
T25 >> 1462780946.80023909 General diagonalize (19607.17729s) started
T25 << 1462781005.25901103 General diagonalize (19665.63606s) stopped
T25 >> 1462781005.25905704 Redistribute coefs (6.74537s) started
T25 << 1462781005.28698897 Redistribute coefs (6.77330s) stopped
T25 >> 1462781005.28702903 Send coefs to domains (72.88636s) started
T25 << 1462781005.37831903 Send coefs to domains (72.97765s) stopped
T25 << 1462781005.37898898 Blacs Orbital Layouts (19748.44252s) stopped
T25 >> 1462781005.37901902 Calculate projections (1675.42232s) started
T25 << 1462781010.29914689 Calculate projections (1680.34245s) stopped
T25 << 1462781010.29955697 LCAO eigensolver (24516.54310s) stopped
T25 >> 1462781011.50700808 Density (5248.53720s) started
T25 >> 1462781011.50702405 Pseudo density (4291.27205s) started
T25 >> 1462781011.50830889 Calculate density matrix (3784.51277s) started
T25 << 1462781024.42587209 Calculate density matrix (3797.43033s) stopped
T25 >> 1462781024.42592907 Construct density (493.72963s) started
T25 << 1462781026.07779694 Construct density (495.38149s) stopped
T25 >> 1462781026.09092593 Symmetrize density (0.02383s) started
T25 << 1462781026.09098506 Symmetrize density (0.02388s) stopped
T25 << 1462781026.09309196 Pseudo density (4305.85811s) stopped
T25 >> 1462781026.09314990 Atomic density matrices (797.22007s) started
T25 << 1462781028.75992393 Atomic density matrices (799.88685s) stopped
T25 >> 1462781028.75997901 Multipole moments (3.01268s) started
T25 << 1462781028.77275991 Multipole moments (3.02546s) stopped
T25 >> 1462781028.77282000 Normalize (2.51494s) started
T25 << 1462781028.77987003 Normalize (2.52199s) stopped
T25 >> 1462781028.77992105 Mix (154.48132s) started
T25 << 1462781029.29036903 Mix (154.99177s) stopped
T25 << 1462781029.29043603 Density (5266.32063s) stopped
T25 >> 1462781029.29069901 Hamiltonian (44623.75561s) started
T25 >> 1462781029.29071689 vbar (8.30625s) started
T25 << 1462781029.31684494 vbar (8.33238s) stopped
T25 >> 1462781029.31695604 XC 3D grid (38389.10061s) started
T25 >> 1462781029.80816793 van der Waals (38088.44436s) started
T25 >> 1462781029.94365311 semilocal (28457.81329s) started
T25 << 1462781281.31375003 semilocal (28709.18339s) stopped
T25 >> 1462781281.37965703 redistribute (3810.45833s) started
T25 << 1462781283.44400311 redistribute (3812.52267s) stopped
T25 >> 1462781283.44411898 libvdwxc nonlocal (5756.22195s) started
T25 << 1462781303.17606401 libvdwxc nonlocal (5775.95389s) stopped
T25 >> 1462781303.17613196 redistribute (3812.52271s) started
T25 << 1462781304.92729712 redistribute (3814.27387s) stopped
T25 << 1462781304.92980194 van der Waals (38363.56599s) stopped
T25 << 1462781305.41738391 XC 3D grid (38665.20104s) stopped
T25 >> 1462781305.41742897 Poisson (2297.32657s) started
T25 << 1462781309.87930703 Poisson (2301.78844s) stopped
T25 >> 1462781309.87938595 Hartree integrate/restrict (117.49857s) started
T25 << 1462781309.93651009 Hartree integrate/restrict (117.55569s) stopped
T25 >> 1462781309.93656492 Hartree integrate/restrict (117.55573s) started
T25 << 1462781310.25712609 Hartree integrate/restrict (117.87629s) stopped
T25 >> 1462781310.31829000 Atomic (3407.06718s) started
T25 >> 1462781310.34038210 XC Correction (2559.53133s) started
T25 << 1462781321.47365808 XC Correction (2570.66461s) stopped
T25 << 1462781325.76990390 Atomic (3422.51879s) stopped
T25 >> 1462781325.77021503 Communicate (386.80876s) started
T25 << 1462781325.77033305 Communicate (386.80888s) stopped
T25 << 1462781325.77035594 Hamiltonian (44920.23527s) stopped
T25 >> 1462781325.77045703 LCAO eigensolver (24516.54311s) started
T25 >> 1462781325.77047205 Potential matrix (819.67677s) started
T25 << 1462781328.19550395 Potential matrix (822.10180s) stopped
T25 >> 1462781328.19559407 DistributedAtomicCorrection (347.30794s) started
T25 << 1462781329.28163409 DistributedAtomicCorrection (348.39398s) stopped
T25 >> 1462781329.28172708 Distribute overlap matrix (1918.77382s) started
T25 >> 1462781329.28175211 blocked summation (1877.03493s) started
T25 << 1462781335.06321812 blocked summation (1882.81640s) stopped
T25 >> 1462781335.07262897 Scalapack redistribute (38.46931s) started
T25 << 1462781335.20353389 Scalapack redistribute (38.60021s) stopped
T25 << 1462781335.20364594 Distribute overlap matrix (1924.69574s) stopped
T25 >> 1462781335.20899391 Blacs Orbital Layouts (19748.44254s) started
T25 >> 1462781335.21731210 General diagonalize (19665.63610s) started
T25 << 1462781394.88431811 General diagonalize (19725.30311s) stopped
T25 >> 1462781394.88436508 Redistribute coefs (6.77333s) started
T25 << 1462781394.91590691 Redistribute coefs (6.80487s) stopped
T25 >> 1462781394.91594696 Send coefs to domains (72.97769s) started
T25 << 1462781395.11049700 Send coefs to domains (73.17224s) stopped
T25 << 1462781395.11110091 Blacs Orbital Layouts (19808.34465s) stopped
T25 >> 1462781395.11113310 Calculate projections (1680.34251s) started
T25 << 1462781400.02730203 Calculate projections (1685.25867s) stopped
T25 << 1462781400.02765298 LCAO eigensolver (24590.80031s) stopped
T25 << 1462781401.25871611 SCF-cycle (75243.54838s) stopped
T25 >> 1462781404.14013195 Force calculation (3577.63146s) started
T25 >> 1462781404.14020991 LCAO forces (3209.28555s) started
T25 >> 1462781404.14057994 Initial (0.00092s) started
T25 << 1462781404.14059091 Initial (0.00093s) stopped
T25 >> 1462781404.14742589 Get density matrix (1497.76142s) started
T25 << 1462781413.54283905 Get density matrix (1507.15683s) stopped
T25 >> 1462781413.54294205 Potential (510.20912s) started
T25 << 1462781426.03927898 Potential (522.70546s) stopped
T25 >> 1462781426.03933501 Get density matrix (1507.15687s) started
T25 << 1462781453.29349089 Get density matrix (1534.41102s) stopped
T25 >> 1462781453.29362106 Prepare TCI loop (101.75019s) started
T25 >> 1462781453.29410291 Get neighbors (91.42689s) started
T25 << 1462781455.53005600 Get neighbors (93.66284s) stopped
T25 >> 1462781455.53077292 broadcast dH (10.26830s) started
T25 << 1462781456.05438805 broadcast dH (10.79192s) stopped
T25 << 1462781456.05443501 Prepare TCI loop (104.51100s) stopped
T25 >> 1462781456.05445409 Not so complicated loop (430.46529s) started
T25 << 1462781466.67450690 Not so complicated loop (441.08534s) stopped
T25 >> 1462781466.79663491 Complicated loop (663.78597s) started
T25 << 1462781483.10584998 Complicated loop (680.09519s) stopped
T25 >> 1462781483.10988688 Wait for sum (0.00437s) started
T25 << 1462781483.10997891 Wait for sum (0.00446s) stopped
T25 << 1462781483.10999298 LCAO forces (3288.25533s) stopped
T25 << 1462781491.34875393 Force calculation (3664.84009s) stopped
T25 >> 1462781491.37020802 Initialization (5486.08656s) started
T25 << 1462781491.37041211 Initialization (5486.08677s) stopped
T25 >> 1462781491.37071609 Initialization (5486.08678s) started
T25 << 1462781491.37088203 Initialization (5486.08695s) stopped
T25 >> 1462781491.37104297 Initialization (5486.08697s) started
T25 << 1462781491.37120509 Initialization (5486.08713s) stopped
T25 >> 1462781514.72010398 Initialization (5486.08715s) started
T25 >> 1462781515.00024390 Basic WFS set positions (5.93127s) started
T25 >> 1462781515.00026703 Redistribute (0.29452s) started
T25 << 1462781515.00040197 Redistribute (0.29466s) stopped
T25 << 1462781515.16832709 Basic WFS set positions (6.09935s) stopped
T25 >> 1462781515.16842508 Basis functions set positions (87.37604s) started
T25 << 1462781517.46766400 Basis functions set positions (89.67528s) stopped
T25 >> 1462781517.47476912 TCI: Calculate S, T, P (1076.61225s) started
T25 << 1462781545.66880608 TCI: Calculate S, T, P (1104.80629s) stopped
T25 >> 1462781545.66890907 blocked summation (1154.96394s) started
T25 << 1462781581.76361203 blocked summation (1191.05864s) stopped
T25 >> 1462781581.77596593 Scalapack redistribute (12.30530s) started
T25 << 1462781581.89787412 Scalapack redistribute (12.42721s) stopped
T25 >> 1462781581.89899611 blocked summation (1191.05868s) started
T25 << 1462781583.19551492 blocked summation (1192.35520s) stopped
T25 >> 1462781583.20458698 Scalapack redistribute (12.42728s) started
T25 << 1462781583.32375503 Scalapack redistribute (12.54645s) stopped
T25 >> 1462781583.32711911 Redistribute (0.83881s) started
T25 << 1462781583.32835507 Redistribute (0.84005s) stopped
T25 >> 1462781585.43861198 Redistribute (0.84006s) started
T25 << 1462781585.44015789 Redistribute (0.84161s) stopped
T25 >> 1462781585.46138597 LCAO WFS Initialize (3045.68263s) started
T25 >> 1462781585.46145010 Density initialize from wavefunctions (607.30151s) started
T25 >> 1462781585.46619105 Calculate density matrix (413.20183s) started
T25 << 1462781595.51349807 Calculate density matrix (423.24913s) stopped
T25 >> 1462781595.51356602 Construct density (67.34068s) started
T25 << 1462781597.16340709 Construct density (68.99052s) stopped
T25 >> 1462781597.17595100 Symmetrize density (0.00320s) started
T25 << 1462781597.17600799 Symmetrize density (0.00326s) stopped
T25 << 1462781600.23416090 Density initialize from wavefunctions (622.07422s) stopped
T25 >> 1462781600.23494196 Hamiltonian (2437.33303s) started
T25 >> 1462781600.23496604 vbar (1.04617s) started
T25 << 1462781600.25754809 vbar (1.06875s) stopped
T25 >> 1462781600.25766206 XC 3D grid (1261.56500s) started
T25 >> 1462781600.78874612 van der Waals (1219.65955s) started
T25 >> 1462781600.92444897 semilocal (280.70168s) started
T25 << 1462781607.55604792 semilocal (287.33328s) stopped
T25 >> 1462781607.63275099 redistribute (127.73144s) started
T25 << 1462781608.99400401 redistribute (129.09270s) stopped
T25 >> 1462781608.99411511 libvdwxc nonlocal (802.69639s) started
T25 << 1462781627.88956809 libvdwxc nonlocal (821.59185s) stopped
T25 >> 1462781627.88964391 redistribute (129.09273s) started
T25 << 1462781629.65287900 redistribute (130.85597s) stopped
T25 << 1462781629.65446997 van der Waals (1248.52527s) stopped
T25 << 1462781630.14779997 XC 3D grid (1291.45514s) stopped
T25 >> 1462781630.14785409 Poisson (572.61469s) started
T25 << 1462781640.53857303 Poisson (583.00541s) stopped
T25 >> 1462781640.53868794 Hartree integrate/restrict (16.67576s) started
T25 << 1462781640.58756900 Hartree integrate/restrict (16.72464s) stopped
T25 >> 1462781640.58765888 Hartree integrate/restrict (16.72471s) started
T25 << 1462781640.97102094 Hartree integrate/restrict (17.10807s) stopped
T25 >> 1462781641.02286100 Atomic (559.73405s) started
T25 >> 1462781641.04659104 XC Correction (406.67383s) started
T25 << 1462781652.97121000 XC Correction (418.59844s) stopped
T25 << 1462781658.33267403 Atomic (577.04386s) stopped
T25 >> 1462781658.33311510 Communicate (23.12708s) started
T25 << 1462781658.33327603 Communicate (23.12724s) stopped
T25 << 1462781658.33329892 Hamiltonian (2495.43139s) stopped
T25 << 1462781658.33336306 LCAO WFS Initialize (3118.55461s) stopped
T25 << 1462781658.34606409 Initialization (5629.71311s) stopped
T25 >> 1462781658.37618709 SCF-cycle (75243.54840s) started
T25 >> 1462781658.37624192 LCAO eigensolver (24590.80033s) started
T25 >> 1462781658.37625599 Potential matrix (822.10185s) started
T25 << 1462781660.79566193 Potential matrix (824.52126s) stopped
T25 >> 1462781660.79575109 DistributedAtomicCorrection (348.39401s) started
T25 << 1462781661.89558506 DistributedAtomicCorrection (349.49385s) stopped
T25 >> 1462781661.89567804 Distribute overlap matrix (1924.69575s) started
T25 >> 1462781661.89570093 blocked summation (1882.81643s) started
T25 << 1462781667.76368093 blocked summation (1888.68441s) stopped
T25 >> 1462781667.77293301 Scalapack redistribute (38.60028s) started
T25 << 1462781667.88228703 Scalapack redistribute (38.70963s) stopped
T25 << 1462781667.88239098 Distribute overlap matrix (1930.68246s) stopped
T25 >> 1462781667.88710189 Blacs Orbital Layouts (19808.34467s) started
T25 >> 1462781667.89511991 General diagonalize (19725.30314s) started
T25 << 1462781727.74163008 General diagonalize (19785.14965s) stopped
T25 >> 1462781727.74167800 Redistribute coefs (6.80490s) started
T25 << 1462781727.76125193 Redistribute coefs (6.82448s) stopped
T25 >> 1462781727.76129603 Send coefs to domains (73.17229s) started
T25 << 1462781727.85560298 Send coefs to domains (73.26660s) stopped
T25 << 1462781727.85614896 Blacs Orbital Layouts (19868.31372s) stopped
T25 >> 1462781727.85617805 Calculate projections (1685.25872s) started
T25 << 1462781732.77503896 Calculate projections (1690.17759s) stopped
T25 << 1462781732.77522993 LCAO eigensolver (24665.19931s) stopped
T25 >> 1462781733.97558498 Density (5266.32065s) started
T25 >> 1462781733.97559905 Pseudo density (4305.85816s) started
T25 >> 1462781733.97705197 Calculate density matrix (3797.43037s) started
T25 << 1462781746.89520097 Calculate density matrix (3810.34852s) stopped
T25 >> 1462781746.89525795 Construct density (495.38154s) started
T25 << 1462781748.55246997 Construct density (497.03876s) stopped
T25 >> 1462781748.56475997 Symmetrize density (0.02390s) started
T25 << 1462781748.56481695 Symmetrize density (0.02396s) stopped
T25 << 1462781748.56696391 Pseudo density (4320.44953s) stopped
T25 >> 1462781748.56701899 Atomic density matrices (799.88687s) started
T25 << 1462781751.27095604 Atomic density matrices (802.59081s) stopped
T25 >> 1462781751.27100706 Multipole moments (3.02548s) started
T25 << 1462781751.28451896 Multipole moments (3.03899s) stopped
T25 >> 1462781751.28457904 Normalize (2.52203s) started
T25 << 1462781751.29130006 Normalize (2.52875s) stopped
T25 >> 1462781751.29140496 Mix (154.99183s) started
T25 << 1462781751.75722504 Mix (155.45765s) stopped
T25 << 1462781751.75731111 Density (5284.10237s) stopped
T25 >> 1462781751.75758004 Hamiltonian (44920.23528s) started
T25 >> 1462781751.75759912 vbar (8.33244s) started
T25 << 1462781751.78808808 vbar (8.36293s) stopped
T25 >> 1462781751.78821397 XC 3D grid (38665.20107s) started
T25 >> 1462781752.28998804 van der Waals (38363.56611s) started
T25 >> 1462781752.42291689 semilocal (28709.18347s) started
T25 << 1462781758.82169700 semilocal (28715.58225s) stopped
T25 >> 1462781758.92770004 redistribute (3814.27399s) started
T25 << 1462781760.52827501 redistribute (3815.87457s) stopped
T25 >> 1462781760.52839208 libvdwxc nonlocal (5775.95394s) started
T25 << 1462781780.34275889 libvdwxc nonlocal (5795.76831s) stopped
T25 >> 1462781780.34282589 redistribute (3815.87460s) started
T25 << 1462781782.22015190 redistribute (3817.75193s) stopped
T25 << 1462781782.22149897 van der Waals (38393.49762s) stopped
T25 << 1462781782.71703911 XC 3D grid (38696.12990s) stopped
T25 >> 1462781782.71708703 Poisson (2301.78850s) started
T25 << 1462781787.14160705 Poisson (2306.21302s) stopped
T25 >> 1462781787.14171600 Hartree integrate/restrict (117.87634s) started
T25 << 1462781787.19729805 Hartree integrate/restrict (117.93192s) stopped
T25 >> 1462781787.19735909 Hartree integrate/restrict (117.93196s) started
T25 << 1462781787.52510595 Hartree integrate/restrict (118.25971s) stopped
T25 >> 1462781787.58587909 Atomic (3422.51881s) started
T25 >> 1462781787.60895395 XC Correction (2570.66463s) started
T25 << 1462781799.16811991 XC Correction (2582.22379s) stopped
T25 << 1462781804.84028292 Atomic (3439.77322s) stopped
T25 >> 1462781804.84062004 Communicate (386.80890s) started
T25 << 1462781804.84075189 Communicate (386.80903s) stopped
T25 << 1462781804.84077501 Hamiltonian (44973.31848s) stopped
T25 >> 1462781804.84087801 LCAO eigensolver (24665.19933s) started
T25 >> 1462781804.84089303 Potential matrix (824.52131s) started
T25 << 1462781807.26681209 Potential matrix (826.94723s) stopped
T25 >> 1462781807.26689911 DistributedAtomicCorrection (349.49389s) started
T25 << 1462781808.36385393 DistributedAtomicCorrection (350.59084s) stopped
T25 >> 1462781808.36394501 Distribute overlap matrix (1930.68248s) started
T25 >> 1462781808.36396909 blocked summation (1888.68445s) started
T25 << 1462781814.31518006 blocked summation (1894.63566s) stopped
T25 >> 1462781814.32538104 Scalapack redistribute (38.70971s) started
T25 << 1462781814.42679501 Scalapack redistribute (38.81112s) stopped
T25 << 1462781814.42687201 Distribute overlap matrix (1936.74540s) stopped
T25 >> 1462781814.43120193 Blacs Orbital Layouts (19868.31374s) started
T25 >> 1462781814.43973804 General diagonalize (19785.14969s) started
T25 << 1462781875.17985606 General diagonalize (19845.88981s) stopped
T25 >> 1462781875.17990494 Redistribute coefs (6.82451s) started
T25 << 1462781875.20665693 Redistribute coefs (6.85126s) stopped
T25 >> 1462781875.20670009 Send coefs to domains (73.26664s) started
T25 << 1462781875.65835810 Send coefs to domains (73.71830s) stopped
T25 << 1462781875.65896893 Blacs Orbital Layouts (19929.54151s) stopped
T25 >> 1462781875.65901399 Calculate projections (1690.17764s) started
T25 << 1462781880.57508302 Calculate projections (1695.09371s) stopped
T25 << 1462781880.57526803 LCAO eigensolver (24740.93372s) stopped
T25 >> 1462781881.79763198 Density (5284.10239s) started
T25 >> 1462781881.79764700 Pseudo density (4320.44957s) started
T25 >> 1462781881.79922009 Calculate density matrix (3810.34856s) started
T25 << 1462781894.65532398 Calculate density matrix (3823.20466s) stopped
T25 >> 1462781894.65538597 Construct density (497.03881s) started
T25 << 1462781896.31455302 Construct density (498.69798s) stopped
T25 >> 1462781896.32673812 Symmetrize density (0.02398s) started
T25 << 1462781896.32679701 Symmetrize density (0.02404s) stopped
T25 << 1462781896.32890296 Pseudo density (4334.98082s) stopped
T25 >> 1462781896.32895803 Atomic density matrices (802.59083s) started
T25 << 1462781899.02101588 Atomic density matrices (805.28289s) stopped
T25 >> 1462781899.02107191 Multipole moments (3.03901s) started
T25 << 1462781899.03500700 Multipole moments (3.05294s) stopped
T25 >> 1462781899.03507209 Normalize (2.52883s) started
T25 << 1462781899.04172111 Normalize (2.53548s) stopped
T25 >> 1462781899.04182601 Mix (155.45774s) started
T25 << 1462781899.48565507 Mix (155.90157s) stopped
T25 << 1462781899.48574591 Density (5301.79050s) stopped
T25 >> 1462781899.48602700 Hamiltonian (44973.31849s) started
T25 >> 1462781899.48604608 vbar (8.36301s) started
T25 << 1462781899.51824999 vbar (8.39521s) stopped
T25 >> 1462781899.51837492 XC 3D grid (38696.12994s) started
T25 >> 1462781900.00993991 van der Waals (38393.49766s) started
T25 >> 1462781900.14313197 semilocal (28715.58238s) started
T25 << 1462781906.61875296 semilocal (28722.05801s) stopped
T25 >> 1462781906.71539903 redistribute (3817.75201s) started
T25 << 1462781908.17428994 redistribute (3819.21090s) stopped
T25 >> 1462781908.17440701 libvdwxc nonlocal (5795.76836s) started
T25 << 1462781927.67258811 libvdwxc nonlocal (5815.26654s) stopped
T25 >> 1462781927.67264700 redistribute (3819.21093s) started
T25 << 1462781929.39612794 redistribute (3820.93441s) stopped
T25 << 1462781929.39771008 van der Waals (38422.88543s) stopped
T25 << 1462781929.89887595 XC 3D grid (38726.51044s) stopped
T25 >> 1462781929.89892507 Poisson (2306.21311s) started
T25 << 1462781935.73200297 Poisson (2312.04618s) stopped
T25 >> 1462781935.73208094 Hartree integrate/restrict (118.25977s) started
T25 << 1462781935.78703308 Hartree integrate/restrict (118.31472s) stopped
T25 >> 1462781935.78709102 Hartree integrate/restrict (118.31476s) started
T25 << 1462781936.12000895 Hartree integrate/restrict (118.64768s) stopped
T25 >> 1462781936.17930007 Atomic (3439.77324s) started
T25 >> 1462781936.20266008 XC Correction (2582.22382s) started
T25 << 1462781947.37977004 XC Correction (2593.40093s) stopped
T25 << 1462781952.98216105 Atomic (3456.57610s) stopped
T25 >> 1462781952.98249292 Communicate (386.80904s) started
T25 << 1462781952.98260689 Communicate (386.80916s) stopped
T25 << 1462781952.98263097 Hamiltonian (45026.81509s) stopped
T25 >> 1462781952.98273396 LCAO eigensolver (24740.93374s) started
T25 >> 1462781952.98274899 Potential matrix (826.94728s) started
T25 << 1462781955.39307594 Potential matrix (829.35760s) stopped
T25 >> 1462781955.39316392 DistributedAtomicCorrection (350.59088s) started
T25 << 1462781956.48342395 DistributedAtomicCorrection (351.68114s) stopped
T25 >> 1462781956.48351598 Distribute overlap matrix (1936.74542s) started
T25 >> 1462781956.48353910 blocked summation (1894.63569s) started
T25 << 1462781962.39522290 blocked summation (1900.54738s) stopped
T25 >> 1462781962.40448093 Scalapack redistribute (38.81118s) started
T25 << 1462781962.49640107 Scalapack redistribute (38.90310s) stopped
T25 << 1462781962.49649096 Distribute overlap matrix (1942.75839s) stopped
T25 >> 1462781962.50207496 Blacs Orbital Layouts (19929.54152s) started
T25 >> 1462781962.51030302 General diagonalize (19845.88985s) started
T25 << 1462782020.59995699 General diagonalize (19903.97951s) stopped
T25 >> 1462782020.60000610 Redistribute coefs (6.85129s) started
T25 << 1462782020.62271404 Redistribute coefs (6.87400s) stopped
T25 >> 1462782020.62275195 Send coefs to domains (73.71835s) started
T25 << 1462782021.28368711 Send coefs to domains (74.37928s) stopped
T25 << 1462782021.28439498 Blacs Orbital Layouts (19988.32384s) stopped
T25 >> 1462782021.28443599 Calculate projections (1695.09376s) started
T25 << 1462782026.27499294 Calculate projections (1700.08432s) stopped
T25 << 1462782026.27540898 LCAO eigensolver (24814.22642s) stopped
T25 >> 1462782027.36975193 Density (5301.79052s) started
T25 >> 1462782027.36976695 Pseudo density (4334.98087s) started
T25 >> 1462782027.37241697 Calculate density matrix (3823.20470s) started
T25 << 1462782040.39035106 Calculate density matrix (3836.22264s) stopped
T25 >> 1462782040.39040709 Construct density (498.69803s) started
T25 << 1462782042.05710006 Construct density (500.36472s) stopped
T25 >> 1462782042.07078695 Symmetrize density (0.02406s) started
T25 << 1462782042.07084894 Symmetrize density (0.02412s) stopped
T25 << 1462782042.07338691 Pseudo density (4349.68449s) stopped
T25 >> 1462782042.07344508 Atomic density matrices (805.28292s) started
T25 << 1462782044.75517201 Atomic density matrices (807.96464s) stopped
T25 >> 1462782044.75522494 Multipole moments (3.05296s) started
T25 << 1462782044.76847792 Multipole moments (3.06621s) stopped
T25 >> 1462782044.76853895 Normalize (2.53556s) started
T25 << 1462782044.77750611 Normalize (2.54452s) stopped
T25 >> 1462782044.77759099 Mix (155.90166s) started
T25 << 1462782045.35949111 Mix (156.48356s) stopped
T25 << 1462782045.35955191 Density (5319.78032s) stopped
T25 >> 1462782045.35977006 Hamiltonian (45026.81511s) started
T25 >> 1462782045.35978794 vbar (8.39528s) started
T25 << 1462782045.38240290 vbar (8.41789s) stopped
T25 >> 1462782045.38252401 XC 3D grid (38726.51048s) started
T25 >> 1462782045.87718391 van der Waals (38422.88549s) started
T25 >> 1462782046.00749111 semilocal (28722.05811s) started
T25 << 1462782052.60322499 semilocal (28728.65384s) stopped
T25 >> 1462782052.68434095 redistribute (3820.93448s) started
T25 << 1462782064.61912298 redistribute (3832.86927s) stopped
T25 >> 1462782064.61923003 libvdwxc nonlocal (5815.26658s) started
T25 << 1462782083.48098493 libvdwxc nonlocal (5834.12834s) stopped
T25 >> 1462782083.48105502 redistribute (3832.86930s) started
T25 << 1462782085.39834905 redistribute (3834.78659s) stopped
T25 << 1462782085.39973593 van der Waals (38462.40804s) stopped
T25 << 1462782085.88456011 XC 3D grid (38767.01251s) stopped
T25 >> 1462782085.88461494 Poisson (2312.04624s) started
T25 << 1462782091.86193395 Poisson (2318.02356s) stopped
T25 >> 1462782091.86202312 Hartree integrate/restrict (118.64772s) started
T25 << 1462782091.90059805 Hartree integrate/restrict (118.68630s) stopped
T25 >> 1462782091.90076590 Hartree integrate/restrict (118.68641s) started
T25 << 1462782092.25308800 Hartree integrate/restrict (119.03874s) stopped
T25 >> 1462782092.31227398 Atomic (3456.57613s) started
T25 >> 1462782092.33578491 XC Correction (2593.40096s) started
T25 << 1462782103.52739191 XC Correction (2604.59257s) stopped
T25 << 1462782108.26006389 Atomic (3472.52392s) stopped
T25 >> 1462782108.26040912 Communicate (386.80917s) started
T25 << 1462782108.26052809 Communicate (386.80929s) stopped
T25 << 1462782108.26055098 Hamiltonian (45089.71589s) stopped
T25 >> 1462782108.26065493 LCAO eigensolver (24814.22643s) started
T25 >> 1462782108.26066995 Potential matrix (829.35765s) started
T25 << 1462782110.67903399 Potential matrix (831.77602s) stopped
T25 >> 1462782110.67913389 DistributedAtomicCorrection (351.68117s) started
T25 << 1462782111.79479098 DistributedAtomicCorrection (352.79683s) stopped
T25 >> 1462782111.79488897 Distribute overlap matrix (1942.75840s) started
T25 >> 1462782111.79491401 blocked summation (1900.54741s) started
T25 << 1462782117.69348598 blocked summation (1906.44598s) stopped
T25 >> 1462782117.70297599 Scalapack redistribute (38.90316s) started
T25 << 1462782117.82568192 Scalapack redistribute (39.02586s) stopped
T25 << 1462782117.82579398 Distribute overlap matrix (1948.78931s) stopped
T25 >> 1462782117.83109307 Blacs Orbital Layouts (19988.32386s) started
T25 >> 1462782117.83980203 General diagonalize (19903.97955s) started
T25 << 1462782176.24811292 General diagonalize (19962.38786s) stopped
T25 >> 1462782176.24816608 Redistribute coefs (6.87403s) started
T25 << 1462782176.27886200 Redistribute coefs (6.90473s) stopped
T25 >> 1462782176.27889991 Send coefs to domains (74.37932s) started
T25 << 1462782176.49090505 Send coefs to domains (74.59133s) stopped
T25 << 1462782176.49176192 Blacs Orbital Layouts (20046.98453s) stopped
T25 >> 1462782176.49180198 Calculate projections (1700.08438s) started
T25 << 1462782181.40823603 Calculate projections (1705.00081s) stopped
T25 << 1462782181.40864491 LCAO eigensolver (24887.37442s) stopped
T25 >> 1462782182.58308291 Density (5319.78033s) started
T25 >> 1462782182.58309889 Pseudo density (4349.68454s) started
T25 >> 1462782182.58449793 Calculate density matrix (3836.22268s) started
T25 << 1462782196.44737911 Calculate density matrix (3850.08556s) stopped
T25 >> 1462782196.44743800 Construct density (500.36478s) started
T25 << 1462782198.10713911 Construct density (502.02448s) stopped
T25 >> 1462782198.11987710 Symmetrize density (0.02414s) started
T25 << 1462782198.11993504 Symmetrize density (0.02419s) stopped
T25 << 1462782198.12205505 Pseudo density (4365.22349s) stopped
T25 >> 1462782198.12211394 Atomic density matrices (807.96467s) started
T25 << 1462782200.77750397 Atomic density matrices (810.62006s) stopped
T25 >> 1462782200.77755594 Multipole moments (3.06623s) started
T25 << 1462782200.79022288 Multipole moments (3.07890s) stopped
T25 >> 1462782200.79028296 Normalize (2.54459s) started
T25 << 1462782200.79700589 Normalize (2.55131s) stopped
T25 >> 1462782200.79714799 Mix (156.48362s) started
T25 << 1462782201.29403305 Mix (156.98050s) stopped
T25 << 1462782201.29409695 Density (5338.49135s) stopped
T25 >> 1462782201.29440093 Hamiltonian (45089.71590s) started
T25 >> 1462782201.29442501 vbar (8.41796s) started
T25 << 1462782201.32126999 vbar (8.44480s) stopped
T25 >> 1462782201.32139707 XC 3D grid (38767.01256s) started
T25 >> 1462782201.81784010 van der Waals (38462.40810s) started
T25 >> 1462782201.94386792 semilocal (28728.65392s) started
T25 << 1462782273.00626302 semilocal (28799.71631s) stopped
T25 >> 1462782273.08292007 redistribute (3834.78666s) started
T25 << 1462782455.70124102 redistribute (4017.40498s) stopped
T25 >> 1462782455.70135689 libvdwxc nonlocal (5834.12839s) started
T25 << 1462782474.84560990 libvdwxc nonlocal (5853.27265s) stopped
T25 >> 1462782474.84568405 redistribute (4017.40502s) started
T25 << 1462782476.52162099 redistribute (4019.08096s) stopped
T25 << 1462782476.52371001 van der Waals (38737.11397s) stopped
T25 << 1462782477.01168895 XC 3D grid (39042.70285s) stopped
T25 >> 1462782477.01173210 Poisson (2318.02363s) started
T25 << 1462782481.37859893 Poisson (2322.39049s) stopped
T25 >> 1462782481.37868595 Hartree integrate/restrict (119.03877s) started
T25 << 1462782481.43397307 Hartree integrate/restrict (119.09406s) stopped
T25 >> 1462782481.43407011 Hartree integrate/restrict (119.09412s) started
T25 << 1462782481.75978088 Hartree integrate/restrict (119.41983s) stopped
T25 >> 1462782481.81796503 Atomic (3472.52394s) started
T25 >> 1462782481.84138489 XC Correction (2604.59260s) started
T25 << 1462782493.07666612 XC Correction (2615.82788s) stopped
T25 << 1462782497.61102295 Atomic (3488.31700s) stopped
T25 >> 1462782497.61135292 Communicate (386.80930s) started
T25 << 1462782497.61147308 Communicate (386.80943s) stopped
T25 << 1462782497.61149597 Hamiltonian (45386.03300s) stopped
T25 >> 1462782497.61159992 LCAO eigensolver (24887.37444s) started
T25 >> 1462782497.61161494 Potential matrix (831.77608s) started
T25 << 1462782500.02709699 Potential matrix (834.19156s) stopped
T25 >> 1462782500.02719092 DistributedAtomicCorrection (352.79687s) started
T25 << 1462782501.17121196 DistributedAtomicCorrection (353.94089s) stopped
T25 >> 1462782501.17130995 Distribute overlap matrix (1948.78932s) started
T25 >> 1462782501.17133594 blocked summation (1906.44601s) started
T25 << 1462782507.01962805 blocked summation (1912.29430s) stopped
T25 >> 1462782507.02922010 Scalapack redistribute (39.02593s) started
T25 << 1462782507.13404989 Scalapack redistribute (39.13076s) stopped
T25 << 1462782507.13414311 Distribute overlap matrix (1954.75215s) stopped
T25 >> 1462782507.13920212 Blacs Orbital Layouts (20046.98455s) started
T25 >> 1462782507.14685893 General diagonalize (19962.38790s) started
T25 << 1462782567.91555810 General diagonalize (20023.15660s) stopped
T25 >> 1462782567.91561007 Redistribute coefs (6.90476s) started
T25 << 1462782567.93259692 Redistribute coefs (6.92174s) stopped
T25 >> 1462782567.93264389 Send coefs to domains (74.59137s) started
T25 << 1462782568.07288790 Send coefs to domains (74.73162s) stopped
T25 << 1462782568.07349300 Blacs Orbital Layouts (20107.91884s) stopped
T25 >> 1462782568.07353592 Calculate projections (1705.00086s) started
T25 << 1462782572.98625708 Calculate projections (1709.91358s) stopped
T25 << 1462782572.98666406 LCAO eigensolver (24962.74951s) stopped
T25 >> 1462782574.34419990 Density (5338.49136s) started
T25 >> 1462782574.34421492 Pseudo density (4365.22354s) started
T25 >> 1462782574.34539199 Calculate density matrix (3850.08560s) started
T25 << 1462782587.22533202 Calculate density matrix (3862.96554s) stopped
T25 >> 1462782587.22542596 Construct density (502.02453s) started
T25 << 1462782588.88051105 Construct density (503.67962s) stopped
T25 >> 1462782588.89316392 Symmetrize density (0.02421s) started
T25 << 1462782588.89322090 Symmetrize density (0.02427s) stopped
T25 << 1462782588.89533496 Pseudo density (4379.77466s) stopped
T25 >> 1462782588.89538908 Atomic density matrices (810.62009s) started
T25 << 1462782591.59684896 Atomic density matrices (813.32155s) stopped
T25 >> 1462782591.59689999 Multipole moments (3.07892s) started
T25 << 1462782591.60958695 Multipole moments (3.09160s) stopped
T25 >> 1462782591.60964704 Normalize (2.55143s) started
T25 << 1462782591.61643910 Normalize (2.55822s) stopped
T25 >> 1462782591.61653996 Mix (156.98057s) started
T25 << 1462782592.18419003 Mix (157.54822s) stopped
T25 << 1462782592.18430090 Density (5356.33146s) stopped
T25 >> 1462782592.18468189 Hamiltonian (45386.03301s) started
T25 >> 1462782592.18470407 vbar (8.44488s) started
T25 << 1462782592.21229005 vbar (8.47246s) stopped
T25 >> 1462782592.21242690 XC 3D grid (39042.70288s) started
T25 >> 1462782592.71993399 van der Waals (38737.11405s) started
T25 >> 1462782592.84822798 semilocal (28799.71643s) started
T25 << 1462783816.95819306 semilocal (30023.82639s) stopped
T25 >> 1462783817.02903891 redistribute (4019.08106s) started
T25 << 1462783818.20014691 redistribute (4020.25217s) stopped
T25 >> 1462783818.20026398 libvdwxc nonlocal (5853.27270s) started
T25 << 1462783837.45718193 libvdwxc nonlocal (5872.52962s) stopped
T25 >> 1462783837.45724797 redistribute (4020.25220s) started
T25 << 1462783839.15347600 redistribute (4021.94843s) stopped
T25 << 1462783839.15589595 van der Waals (39983.55002s) stopped
T25 << 1462783839.64536405 XC 3D grid (40290.13582s) stopped
T25 >> 1462783839.64541006 Poisson (2322.39056s) started
T25 << 1462783844.10103893 Poisson (2326.84619s) stopped
T25 >> 1462783844.10114288 Hartree integrate/restrict (119.41988s) started
T25 << 1462783844.14285111 Hartree integrate/restrict (119.46159s) stopped
T25 >> 1462783844.14297700 Hartree integrate/restrict (119.46167s) started
T25 << 1462783844.48984194 Hartree integrate/restrict (119.80853s) stopped
T25 >> 1462783844.55119705 Atomic (3488.31702s) started
T25 >> 1462783844.57573104 XC Correction (2615.82791s) started
T25 << 1462783856.16012311 XC Correction (2627.41230s) stopped
T25 << 1462783860.27227306 Atomic (3504.03810s) stopped
T25 >> 1462783860.27261591 Communicate (386.80944s) started
T25 << 1462783860.27273393 Communicate (386.80956s) stopped
T25 << 1462783860.27275801 Hamiltonian (46654.12109s) stopped
T25 >> 1462783860.27286196 LCAO eigensolver (24962.74953s) started
T25 >> 1462783860.27287698 Potential matrix (834.19161s) started
T25 << 1462783862.69467497 Potential matrix (836.61341s) stopped
T25 >> 1462783862.69477606 DistributedAtomicCorrection (353.94093s) started
T25 << 1462783863.82176995 DistributedAtomicCorrection (355.06793s) stopped
T25 >> 1462783863.82187200 Distribute overlap matrix (1954.75217s) started
T25 >> 1462783863.82189798 blocked summation (1912.29434s) started
T25 << 1462783869.79763389 blocked summation (1918.27007s) stopped
T25 >> 1462783869.80737996 Scalapack redistribute (39.13082s) started
T25 << 1462783869.91196704 Scalapack redistribute (39.23540s) stopped
T25 << 1462783869.91204190 Distribute overlap matrix (1960.84234s) stopped
T25 >> 1462783869.91733003 Blacs Orbital Layouts (20107.91886s) started
T25 >> 1462783869.92543006 General diagonalize (20023.15664s) started
T25 << 1462783929.01481891 General diagonalize (20082.24603s) stopped
T25 >> 1462783929.01486802 Redistribute coefs (6.92178s) started
T25 << 1462783929.03142905 Redistribute coefs (6.93834s) stopped
T25 >> 1462783929.03147697 Send coefs to domains (74.73166s) started
T25 << 1462783929.12372804 Send coefs to domains (74.82391s) stopped
T25 << 1462783929.12448001 Blacs Orbital Layouts (20167.12601s) stopped
T25 >> 1462783929.12452412 Calculate projections (1709.91363s) started
T25 << 1462783934.04416490 Calculate projections (1714.83328s) stopped
T25 << 1462783934.04458094 LCAO eigensolver (25036.52124s) stopped
T25 << 1462783935.26612210 SCF-cycle (77520.43834s) stopped
T25 >> 1462783938.19204307 Force calculation (3664.84011s) started
T25 >> 1462783938.19211888 LCAO forces (3288.25534s) started
T25 >> 1462783938.19248295 Initial (0.00094s) started
T25 << 1462783938.19249392 Initial (0.00095s) stopped
T25 >> 1462783938.19885612 Get density matrix (1534.41106s) started
T25 << 1462783947.54345489 Get density matrix (1543.75566s) stopped
T25 >> 1462783947.54349995 Potential (522.70550s) started
T25 << 1462783960.05982804 Potential (535.22182s) stopped
T25 >> 1462783960.05988407 Get density matrix (1543.75569s) started
T25 << 1462783987.19364095 Get density matrix (1570.88945s) stopped
T25 >> 1462783987.19370198 Prepare TCI loop (104.51101s) started
T25 >> 1462783987.19424891 Get neighbors (93.66290s) started
T25 << 1462783989.47195196 Get neighbors (95.94060s) stopped
T25 >> 1462783989.47237301 broadcast dH (10.79195s) started
T25 << 1462783989.68839788 broadcast dH (11.00797s) stopped
T25 << 1462783989.68844604 Prepare TCI loop (107.00576s) stopped
T25 >> 1462783989.68846512 Not so complicated loop (441.08538s) started
T25 << 1462784000.24254298 Not so complicated loop (451.63945s) stopped
T25 >> 1462784000.36028695 Complicated loop (680.09522s) started
T25 << 1462784016.76001906 Complicated loop (696.49496s) stopped
T25 >> 1462784016.76400089 Wait for sum (0.00448s) started
T25 << 1462784016.76409411 Wait for sum (0.00457s) stopped
T25 << 1462784016.76410794 LCAO forces (3366.82733s) stopped
T25 << 1462784024.83083296 Force calculation (3751.47890s) stopped
T25 >> 1462784024.85152888 Initialization (5629.71313s) started
T25 << 1462784024.85173202 Initialization (5629.71334s) stopped
T25 >> 1462784024.85198593 Initialization (5629.71335s) started
T25 << 1462784024.85214806 Initialization (5629.71352s) stopped
T25 >> 1462784024.85229993 Initialization (5629.71353s) started
T25 << 1462784024.85245299 Initialization (5629.71368s) stopped
T25 >> 1462784048.15538692 Initialization (5629.71370s) started
T25 >> 1462784048.56452799 Basic WFS set positions (6.09938s) started
T25 >> 1462784048.56455207 Redistribute (0.29467s) started
T25 << 1462784048.56468701 Redistribute (0.29480s) stopped
T25 << 1462784048.73667002 Basic WFS set positions (6.27152s) stopped
T25 >> 1462784048.73672390 Basis functions set positions (89.67531s) started
T25 << 1462784050.93392611 Basis functions set positions (91.87251s) stopped
T25 >> 1462784050.94067001 TCI: Calculate S, T, P (1104.80632s) started
T25 << 1462784079.27765393 TCI: Calculate S, T, P (1133.14330s) stopped
T25 >> 1462784079.27775908 blocked summation (1192.35523s) started
T25 << 1462784115.83805299 blocked summation (1228.91553s) stopped
T25 >> 1462784115.85899591 Scalapack redistribute (12.54649s) started
T25 << 1462784115.97258210 Scalapack redistribute (12.66008s) stopped
T25 >> 1462784115.97358203 blocked summation (1228.91558s) started
T25 << 1462784117.19686794 blocked summation (1230.13886s) stopped
T25 >> 1462784117.20602107 Scalapack redistribute (12.66014s) started
T25 << 1462784117.41715908 Scalapack redistribute (12.87128s) stopped
T25 >> 1462784117.42001891 Redistribute (0.84168s) started
T25 << 1462784117.42123699 Redistribute (0.84289s) stopped
T25 >> 1462784119.51622510 Redistribute (0.84291s) started
T25 << 1462784119.51756096 Redistribute (0.84425s) stopped
T25 >> 1462784119.54087090 LCAO WFS Initialize (3118.55462s) started
T25 >> 1462784119.54089999 Density initialize from wavefunctions (622.07428s) started
T25 >> 1462784119.54487395 Calculate density matrix (423.24918s) started
T25 << 1462784129.51154399 Calculate density matrix (433.21585s) stopped
T25 >> 1462784129.51160192 Construct density (68.99058s) started
T25 << 1462784131.17390299 Construct density (70.65288s) stopped
T25 >> 1462784131.19305110 Symmetrize density (0.00328s) started
T25 << 1462784131.19310689 Symmetrize density (0.00333s) stopped
T25 << 1462784134.21226501 Density initialize from wavefunctions (636.74564s) stopped
T25 >> 1462784134.21398997 Hamiltonian (2495.43142s) started
T25 >> 1462784134.21408296 vbar (1.06882s) started
T25 << 1462784134.24168611 vbar (1.09642s) stopped
T25 >> 1462784134.24178290 XC 3D grid (1291.45519s) started
T25 >> 1462784134.75496888 van der Waals (1248.52534s) started
T25 >> 1462784134.89037895 semilocal (287.33336s) started
T25 << 1462784141.55768204 semilocal (294.00067s) stopped
T25 >> 1462784141.63562989 redistribute (130.85604s) started
T25 << 1462784143.09299302 redistribute (132.31341s) stopped
T25 >> 1462784143.09311891 libvdwxc nonlocal (821.59190s) started
T25 << 1462784162.31932807 libvdwxc nonlocal (840.81811s) stopped
T25 >> 1462784162.31938100 redistribute (132.31344s) started
T25 << 1462784163.96336293 redistribute (133.95742s) stopped
T25 << 1462784163.96596909 van der Waals (1277.73634s) stopped
T25 << 1462784164.44740701 XC 3D grid (1321.66081s) stopped
T25 >> 1462784164.44745207 Poisson (583.00550s) started
T25 << 1462784174.68220401 Poisson (593.24025s) stopped
T25 >> 1462784174.68235207 Hartree integrate/restrict (17.10811s) started
T25 << 1462784174.72371197 Hartree integrate/restrict (17.14947s) stopped
T25 >> 1462784174.72388792 Hartree integrate/restrict (17.14959s) started
T25 << 1462784175.07526398 Hartree integrate/restrict (17.50097s) stopped
T25 >> 1462784175.13482094 Atomic (577.04388s) started
T25 >> 1462784175.15782499 XC Correction (418.59847s) started
T25 << 1462784186.84734011 XC Correction (430.28799s) stopped
T25 << 1462784192.41012406 Atomic (594.31918s) stopped
T25 >> 1462784192.41046906 Communicate (23.12725s) started
T25 << 1462784192.41121602 Communicate (23.12800s) stopped
T25 << 1462784192.41123891 Hamiltonian (2553.62867s) stopped
T25 << 1462784192.41129804 LCAO WFS Initialize (3191.42505s) stopped
T25 << 1462784192.42352700 Initialization (5773.98184s) stopped
T25 >> 1462784192.45360708 SCF-cycle (77520.43836s) started
T25 >> 1462784192.45366311 LCAO eigensolver (25036.52126s) started
T25 >> 1462784192.45367789 Potential matrix (836.61347s) started
T25 << 1462784194.87000394 Potential matrix (839.02979s) stopped
T25 >> 1462784194.87009311 DistributedAtomicCorrection (355.06797s) started
T25 << 1462784195.94187307 DistributedAtomicCorrection (356.13975s) stopped
T25 >> 1462784195.94197106 Distribute overlap matrix (1960.84235s) started
T25 >> 1462784195.94199491 blocked summation (1918.27010s) started
T25 << 1462784201.81403494 blocked summation (1924.14214s) stopped
T25 >> 1462784201.82471108 Scalapack redistribute (39.23544s) started
T25 << 1462784201.92868400 Scalapack redistribute (39.33941s) stopped
T25 << 1462784201.92874098 Distribute overlap matrix (1966.82912s) stopped
T25 >> 1462784201.93443608 Blacs Orbital Layouts (20167.12603s) started
T25 >> 1462784201.94262195 General diagonalize (20082.24606s) started
T25 << 1462784259.91847801 General diagonalize (20140.22192s) stopped
T25 >> 1462784259.91852498 Redistribute coefs (6.93838s) started
T25 << 1462784259.94828296 Redistribute coefs (6.96814s) stopped
T25 >> 1462784259.94831991 Send coefs to domains (74.82395s) started
T25 << 1462784260.12202811 Send coefs to domains (74.99766s) stopped
T25 << 1462784260.12278605 Blacs Orbital Layouts (20225.31438s) stopped
T25 >> 1462784260.12281489 Calculate projections (1714.83333s) started
T25 << 1462784265.10381293 Calculate projections (1719.81432s) stopped
T25 << 1462784265.10422206 LCAO eigensolver (25109.17182s) stopped
T25 >> 1462784266.28520203 Density (5356.33148s) started
T25 >> 1462784266.28521705 Pseudo density (4379.77470s) started
T25 >> 1462784266.28674293 Calculate density matrix (3862.96557s) started
T25 << 1462784279.13858795 Calculate density matrix (3875.81742s) stopped
T25 >> 1462784279.13864303 Construct density (503.67967s) started
T25 << 1462784280.80269504 Construct density (505.34372s) stopped
T25 >> 1462784280.84809899 Symmetrize density (0.02429s) started
T25 << 1462784280.84816194 Symmetrize density (0.02435s) stopped
T25 << 1462784280.85052109 Pseudo density (4394.34000s) stopped
T25 >> 1462784280.85057998 Atomic density matrices (813.32157s) started
T25 << 1462784283.49789596 Atomic density matrices (815.96889s) stopped
T25 >> 1462784283.49794698 Multipole moments (3.09162s) started
T25 << 1462784283.50993204 Multipole moments (3.10360s) stopped
T25 >> 1462784283.50999904 Normalize (2.55829s) started
T25 << 1462784283.51721597 Normalize (2.56551s) stopped
T25 >> 1462784283.51726890 Mix (157.54832s) started
T25 << 1462784283.97066689 Mix (158.00172s) stopped
T25 << 1462784283.97071004 Density (5374.01699s) stopped
T25 >> 1462784283.97097301 Hamiltonian (46654.12110s) started
T25 >> 1462784283.97099400 vbar (8.47254s) started
T25 << 1462784283.99761510 vbar (8.49916s) stopped
T25 >> 1462784283.99770308 XC 3D grid (40290.13586s) started
T25 >> 1462784284.51021600 van der Waals (39983.55008s) started
T25 >> 1462784284.64208198 semilocal (30023.82650s) started
T25 << 1462784291.29912305 semilocal (30030.48354s) stopped
T25 >> 1462784291.37669802 redistribute (4021.94850s) started
T25 << 1462784292.74598503 redistribute (4023.31779s) stopped
T25 >> 1462784292.74610901 libvdwxc nonlocal (5872.52967s) started
T25 << 1462784312.66191196 libvdwxc nonlocal (5892.44548s) stopped
T25 >> 1462784312.66195798 redistribute (4023.31783s) started
T25 << 1462784314.52599192 redistribute (4025.18186s) stopped
T25 << 1462784314.52755094 van der Waals (40013.56741s) stopped
T25 << 1462784315.02569890 XC 3D grid (40321.16385s) stopped
T25 >> 1462784315.02574706 Poisson (2326.84627s) started
T25 << 1462784319.56602812 Poisson (2331.38655s) stopped
T25 >> 1462784319.56612992 Hartree integrate/restrict (119.80859s) started
T25 << 1462784319.62118101 Hartree integrate/restrict (119.86364s) stopped
T25 >> 1462784319.62123799 Hartree integrate/restrict (119.86368s) started
T25 << 1462784319.96897888 Hartree integrate/restrict (120.21142s) stopped
T25 >> 1462784320.02765608 Atomic (3504.03812s) started
T25 >> 1462784320.05024505 XC Correction (2627.41233s) started
T25 << 1462784331.64926100 XC Correction (2639.01135s) stopped
T25 << 1462784337.40732098 Atomic (3521.41779s) stopped
T25 >> 1462784337.40768290 Communicate (386.80957s) started
T25 << 1462784337.40780091 Communicate (386.80969s) stopped
T25 << 1462784337.40782499 Hamiltonian (46707.55795s) stopped
T25 >> 1462784337.40792608 LCAO eigensolver (25109.17184s) started
T25 >> 1462784337.40794110 Potential matrix (839.02984s) started
T25 << 1462784339.82808495 Potential matrix (841.44999s) stopped
T25 >> 1462784339.82817197 DistributedAtomicCorrection (356.13979s) started
T25 << 1462784340.93347692 DistributedAtomicCorrection (357.24509s) stopped
T25 >> 1462784340.93357301 Distribute overlap matrix (1966.82913s) started
T25 >> 1462784340.93359804 blocked summation (1924.14218s) started
T25 << 1462784346.76347494 blocked summation (1929.97206s) stopped
T25 >> 1462784346.77271390 Scalapack redistribute (39.33946s) started
T25 << 1462784346.88420796 Scalapack redistribute (39.45095s) stopped
T25 << 1462784346.88428593 Distribute overlap matrix (1972.77985s) stopped
T25 >> 1462784346.89171100 Blacs Orbital Layouts (20225.31440s) started
T25 >> 1462784346.90015006 General diagonalize (20140.22196s) started
T25 << 1462784406.83126903 General diagonalize (20200.15308s) stopped
T25 >> 1462784406.83132291 Redistribute coefs (6.96817s) started
T25 << 1462784406.84709597 Redistribute coefs (6.98394s) stopped
T25 >> 1462784406.84713602 Send coefs to domains (74.99769s) started
T25 << 1462784406.94498801 Send coefs to domains (75.09555s) stopped
T25 << 1462784406.94579697 Blacs Orbital Layouts (20285.36848s) stopped
T25 >> 1462784406.94583797 Calculate projections (1719.81438s) started
T25 << 1462784411.89992595 Calculate projections (1724.76847s) stopped
T25 << 1462784411.90013695 LCAO eigensolver (25183.66405s) stopped
T25 >> 1462784413.08714104 Density (5374.01701s) started
T25 >> 1462784413.08715510 Pseudo density (4394.34005s) started
T25 >> 1462784413.08865905 Calculate density matrix (3875.81745s) started
T25 << 1462784426.08707309 Calculate density matrix (3888.81587s) stopped
T25 >> 1462784426.08712912 Construct density (505.34378s) started
T25 << 1462784427.74157095 Construct density (506.99822s) stopped
T25 >> 1462784427.78725505 Symmetrize density (0.02437s) started
T25 << 1462784427.78731990 Symmetrize density (0.02443s) stopped
T25 << 1462784427.78968906 Pseudo density (4409.04259s) stopped
T25 >> 1462784427.78975105 Atomic density matrices (815.96891s) started
T25 << 1462784430.46771502 Atomic density matrices (818.64688s) stopped
T25 >> 1462784430.46776104 Multipole moments (3.10362s) started
T25 << 1462784430.48207998 Multipole moments (3.11794s) stopped
T25 >> 1462784430.48214293 Normalize (2.56554s) started
T25 << 1462784430.49194407 Normalize (2.57534s) stopped
T25 >> 1462784430.49203110 Mix (158.00176s) started
T25 << 1462784430.96263289 Mix (158.47236s) stopped
T25 << 1462784430.96271801 Density (5391.89259s) stopped
T25 >> 1462784430.96301603 Hamiltonian (46707.55797s) started
T25 >> 1462784430.96303701 vbar (8.49920s) started
T25 << 1462784430.99330211 vbar (8.52946s) stopped
T25 >> 1462784430.99342489 XC 3D grid (40321.16389s) started
T25 >> 1462784431.48699188 van der Waals (40013.56749s) started
T25 >> 1462784431.61665797 semilocal (30030.48365s) started
T25 << 1462784438.67916489 semilocal (30037.54615s) stopped
T25 >> 1462784438.75038505 redistribute (4025.18192s) started
T25 << 1462784439.67897606 redistribute (4026.11051s) stopped
T25 >> 1462784439.67902207 libvdwxc nonlocal (5892.44551s) started
T25 << 1462784458.87771297 libvdwxc nonlocal (5911.64420s) stopped
T25 >> 1462784458.87778497 redistribute (4026.11055s) started
T25 << 1462784460.89114094 redistribute (4028.12391s) stopped
T25 << 1462784460.89279389 van der Waals (40042.97329s) stopped
T25 << 1462784461.39152408 XC 3D grid (40351.56199s) stopped
T25 >> 1462784461.39156699 Poisson (2331.38663s) started
T25 << 1462784467.21023989 Poisson (2337.20530s) stopped
T25 >> 1462784467.21030688 Hartree integrate/restrict (120.21145s) started
T25 << 1462784467.25313497 Hartree integrate/restrict (120.25428s) stopped
T25 >> 1462784467.25320005 Hartree integrate/restrict (120.25432s) started
T25 << 1462784467.60050511 Hartree integrate/restrict (120.60163s) stopped
T25 >> 1462784467.65885901 Atomic (3521.41781s) started
T25 >> 1462784467.68136311 XC Correction (2639.01138s) started
T25 << 1462784478.80689812 XC Correction (2650.13691s) stopped
T25 << 1462784484.44081306 Atomic (3538.19977s) stopped
T25 >> 1462784484.44113207 Communicate (386.80970s) started
T25 << 1462784484.44145298 Communicate (386.81002s) stopped
T25 << 1462784484.44147611 Hamiltonian (46761.03643s) stopped
T25 >> 1462784484.44157696 LCAO eigensolver (25183.66407s) started
T25 >> 1462784484.44159198 Potential matrix (841.45004s) started
T25 << 1462784486.86287904 Potential matrix (843.87132s) stopped
T25 >> 1462784486.86298490 DistributedAtomicCorrection (357.24513s) started
T25 << 1462784487.91953611 DistributedAtomicCorrection (358.30168s) stopped
T25 >> 1462784487.91963196 Distribute overlap matrix (1972.77986s) started
T25 >> 1462784487.91965699 blocked summation (1929.97209s) started
T25 << 1462784493.86242509 blocked summation (1935.91486s) stopped
T25 >> 1462784493.87204409 Scalapack redistribute (39.45099s) started
T25 << 1462784493.97665501 Scalapack redistribute (39.55560s) stopped
T25 << 1462784493.97672606 Distribute overlap matrix (1978.83696s) stopped
T25 >> 1462784493.98232293 Blacs Orbital Layouts (20285.36850s) started
T25 >> 1462784493.99096704 General diagonalize (20200.15312s) started
T25 << 1462784552.17953610 General diagonalize (20258.34169s) stopped
T25 >> 1462784552.17958403 Redistribute coefs (6.98397s) started
T25 << 1462784552.19485903 Redistribute coefs (6.99924s) stopped
T25 >> 1462784552.19490290 Send coefs to domains (75.09558s) started
T25 << 1462784552.29174995 Send coefs to domains (75.19243s) stopped
T25 << 1462784552.29240608 Blacs Orbital Layouts (20343.67859s) stopped
T25 >> 1462784552.29244494 Calculate projections (1724.76853s) started
T25 << 1462784557.26059008 Calculate projections (1729.73667s) stopped
T25 << 1462784557.26077199 LCAO eigensolver (25256.48327s) stopped
T25 >> 1462784558.43034697 Density (5391.89260s) started
T25 >> 1462784558.43036294 Pseudo density (4409.04264s) started
T25 >> 1462784558.43237901 Calculate density matrix (3888.81590s) started
T25 << 1462784571.33258295 Calculate density matrix (3901.71610s) stopped
T25 >> 1462784571.33266807 Construct density (506.99828s) started
T25 << 1462784572.99037600 Construct density (508.65598s) stopped
T25 >> 1462784573.00422597 Symmetrize density (0.02445s) started
T25 << 1462784573.00428700 Symmetrize density (0.02451s) stopped
T25 << 1462784573.00662994 Pseudo density (4423.61890s) stopped
T25 >> 1462784573.00669098 Atomic density matrices (818.64690s) started
T25 << 1462784575.68808508 Atomic density matrices (821.32829s) stopped
T25 >> 1462784575.68813705 Multipole moments (3.11796s) started
T25 << 1462784575.70086503 Multipole moments (3.13069s) stopped
T25 >> 1462784575.70092893 Normalize (2.57541s) started
T25 << 1462784575.71059704 Normalize (2.58508s) stopped
T25 >> 1462784575.71068311 Mix (158.47245s) started
T25 << 1462784576.21422791 Mix (158.97599s) stopped
T25 << 1462784576.21428299 Density (5409.67654s) stopped
T25 >> 1462784576.21455097 Hamiltonian (46761.03644s) started
T25 >> 1462784576.21457005 vbar (8.52953s) started
T25 << 1462784576.24161410 vbar (8.55658s) stopped
T25 >> 1462784576.24175596 XC 3D grid (40351.56202s) started
T25 >> 1462784576.73648596 van der Waals (40042.97337s) started
T25 >> 1462784576.87182212 semilocal (30037.54627s) started
T25 << 1462784583.82409406 semilocal (30044.49854s) stopped
T25 >> 1462784583.89902806 redistribute (4028.12400s) started
T25 << 1462784584.88355398 redistribute (4029.10852s) stopped
T25 >> 1462784584.88367295 libvdwxc nonlocal (5911.64426s) started
T25 << 1462784604.18206692 libvdwxc nonlocal (5930.94265s) stopped
T25 >> 1462784604.18214011 redistribute (4029.10856s) started
T25 << 1462784606.23788500 redistribute (4031.16430s) stopped
T25 << 1462784606.23966098 van der Waals (40072.47654s) stopped
T25 << 1462784606.74131608 XC 3D grid (40382.06158s) stopped
T25 >> 1462784606.74135804 Poisson (2337.20535s) started
T25 << 1462784611.13339090 Poisson (2341.59738s) stopped
T25 >> 1462784611.13345194 Hartree integrate/restrict (120.60166s) started
T25 << 1462784611.16859388 Hartree integrate/restrict (120.63680s) stopped
T25 >> 1462784611.16871190 Hartree integrate/restrict (120.63689s) started
T25 << 1462784611.53284693 Hartree integrate/restrict (121.00102s) stopped
T25 >> 1462784611.59252691 Atomic (3538.19979s) started
T25 >> 1462784611.61502504 XC Correction (2650.13694s) started
T25 << 1462784622.59698105 XC Correction (2661.11890s) stopped
T25 << 1462784627.69673610 Atomic (3554.30400s) stopped
T25 >> 1462784627.69707799 Communicate (386.81004s) started
T25 << 1462784627.69748211 Communicate (386.81044s) stopped
T25 << 1462784627.69750500 Hamiltonian (46812.51939s) stopped
T25 >> 1462784627.69760609 LCAO eigensolver (25256.48328s) started
T25 >> 1462784627.69762206 Potential matrix (843.87138s) started
T25 << 1462784630.12332702 Potential matrix (846.29709s) stopped
T25 >> 1462784630.12342501 DistributedAtomicCorrection (358.30172s) started
T25 << 1462784631.23506689 DistributedAtomicCorrection (359.41336s) stopped
T25 >> 1462784631.23516607 Distribute overlap matrix (1978.83697s) started
T25 >> 1462784631.23519206 blocked summation (1935.91489s) started
T25 << 1462784637.07171988 blocked summation (1941.75142s) stopped
T25 >> 1462784637.08137703 Scalapack redistribute (39.55564s) started
T25 << 1462784637.17489791 Scalapack redistribute (39.64916s) stopped
T25 << 1462784637.17499590 Distribute overlap matrix (1984.77680s) stopped
T25 >> 1462784637.18021703 Blacs Orbital Layouts (20343.67861s) started
T25 >> 1462784637.18830895 General diagonalize (20258.34172s) started
T25 << 1462784695.01791406 General diagonalize (20316.17133s) stopped
T25 >> 1462784695.01796389 Redistribute coefs (6.99928s) started
T25 << 1462784695.03397298 Redistribute coefs (7.01529s) stopped
T25 >> 1462784695.03401899 Send coefs to domains (75.19247s) started
T25 << 1462784695.13958097 Send coefs to domains (75.29803s) stopped
T25 << 1462784695.14019108 Blacs Orbital Layouts (20401.63858s) stopped
T25 >> 1462784695.14023089 Calculate projections (1729.73673s) started
T25 << 1462784700.12134004 Calculate projections (1734.71784s) stopped
T25 << 1462784700.12167311 LCAO eigensolver (25328.90735s) stopped
T25 >> 1462784701.28435612 Density (5409.67655s) started
T25 >> 1462784701.28437090 Pseudo density (4423.61895s) started
T25 >> 1462784701.28599095 Calculate density matrix (3901.71614s) started
T25 << 1462784714.20301700 Calculate density matrix (3914.63317s) stopped
T25 >> 1462784714.20307112 Construct density (508.65604s) started
T25 << 1462784715.86573410 Construct density (510.31870s) stopped
T25 >> 1462784715.90916610 Symmetrize density (0.02453s) started
T25 << 1462784715.90922809 Symmetrize density (0.02459s) stopped
T25 << 1462784715.91158509 Pseudo density (4438.24617s) stopped
T25 >> 1462784715.91164494 Atomic density matrices (821.32832s) started
T25 << 1462784718.56745291 Atomic density matrices (823.98412s) stopped
T25 >> 1462784718.56750393 Multipole moments (3.13070s) started
T25 << 1462784718.58096600 Multipole moments (3.14417s) stopped
T25 >> 1462784718.58106089 Normalize (2.58515s) started
T25 << 1462784718.58917594 Normalize (2.59327s) stopped
T25 >> 1462784718.58924890 Mix (158.97604s) started
T25 << 1462784719.10229206 Mix (159.48909s) stopped
T25 << 1462784719.10240293 Density (5427.49460s) stopped
T25 >> 1462784719.10279202 Hamiltonian (46812.51941s) started
T25 >> 1462784719.10282898 vbar (8.55665s) started
T25 << 1462784719.14426088 vbar (8.59809s) stopped
T25 >> 1462784719.14442301 XC 3D grid (40382.06161s) started
T25 >> 1462784719.63426089 van der Waals (40072.47659s) started
T25 >> 1462784719.76527309 semilocal (30044.49861s) started
T25 << 1462784732.70861006 semilocal (30057.44195s) stopped
T25 >> 1462784732.76927805 redistribute (4031.16440s) started
T25 << 1462784757.82298708 redistribute (4056.21811s) stopped
T25 >> 1462784757.82311106 libvdwxc nonlocal (5930.94270s) started
T25 << 1462784776.96079898 libvdwxc nonlocal (5950.08039s) stopped
T25 >> 1462784776.96087003 redistribute (4056.21814s) started
T25 << 1462784779.10944796 redistribute (4058.36672s) stopped
T25 << 1462784779.11126900 van der Waals (40131.95360s) stopped
T25 << 1462784779.59966612 XC 3D grid (40442.51686s) stopped
T25 >> 1462784779.59971309 Poisson (2341.59743s) started
T25 << 1462784784.02380490 Poisson (2346.02152s) stopped
T25 >> 1462784784.02387094 Hartree integrate/restrict (121.00106s) started
T25 << 1462784784.05973291 Hartree integrate/restrict (121.03692s) stopped
T25 >> 1462784784.05982208 Hartree integrate/restrict (121.03698s) started
T25 << 1462784784.43362188 Hartree integrate/restrict (121.41078s) stopped
T25 >> 1462784784.50458097 Atomic (3554.30402s) started
T25 >> 1462784784.52749896 XC Correction (2661.11893s) started
T25 << 1462784795.56913805 XC Correction (2672.16057s) stopped
T25 << 1462784800.39507699 Atomic (3570.19452s) stopped
T25 >> 1462784800.39543700 Communicate (386.81045s) started
T25 << 1462784800.39555597 Communicate (386.81057s) stopped
T25 << 1462784800.39558005 Hamiltonian (46893.81220s) stopped
T25 >> 1462784800.39568496 LCAO eigensolver (25328.90737s) started
T25 >> 1462784800.39570093 Potential matrix (846.29714s) started
T25 << 1462784802.81238604 Potential matrix (848.71383s) stopped
T25 >> 1462784802.81248498 DistributedAtomicCorrection (359.41340s) started
T25 << 1462784803.93561912 DistributedAtomicCorrection (360.53654s) stopped
T25 >> 1462784803.93571806 Distribute overlap matrix (1984.77681s) started
T25 >> 1462784803.93574500 blocked summation (1941.75145s) started
T25 << 1462784809.80204010 blocked summation (1947.61775s) stopped
T25 >> 1462784809.81143999 Scalapack redistribute (39.64922s) started
T25 << 1462784809.91109991 Scalapack redistribute (39.74888s) stopped
T25 << 1462784809.91120696 Distribute overlap matrix (1990.75230s) stopped
T25 >> 1462784809.91613293 Blacs Orbital Layouts (20401.63860s) started
T25 >> 1462784809.92401195 General diagonalize (20316.17137s) started
T25 << 1462784866.60810804 General diagonalize (20372.85546s) stopped
T25 >> 1462784866.60815501 Redistribute coefs (7.01532s) started
T25 << 1462784866.62457895 Redistribute coefs (7.03174s) stopped
T25 >> 1462784866.62462211 Send coefs to domains (75.29807s) started
T25 << 1462784866.80185509 Send coefs to domains (75.47530s) stopped
T25 << 1462784866.80234289 Blacs Orbital Layouts (20458.52481s) stopped
T25 >> 1462784866.80238104 Calculate projections (1734.71789s) started
T25 << 1462784871.79243398 Calculate projections (1739.70794s) stopped
T25 << 1462784871.79275107 LCAO eigensolver (25400.30443s) stopped
T25 << 1462784872.94229889 SCF-cycle (78200.92705s) stopped
T25 >> 1462784875.84640098 Force calculation (3751.47893s) started
T25 >> 1462784875.84648490 LCAO forces (3366.82734s) started
T25 >> 1462784875.84686089 Initial (0.00096s) started
T25 << 1462784875.84687304 Initial (0.00097s) stopped
T25 >> 1462784875.85303593 Get density matrix (1570.88948s) started
T25 << 1462784885.16354394 Get density matrix (1580.19999s) stopped
T25 >> 1462784885.16359305 Potential (535.22187s) started
T25 << 1462784897.71407604 Potential (547.77235s) stopped
T25 >> 1462784897.71413589 Get density matrix (1580.20003s) started
T25 << 1462784924.76725411 Get density matrix (1607.25315s) stopped
T25 >> 1462784924.76731205 Prepare TCI loop (107.00577s) started
T25 >> 1462784924.76785898 Get neighbors (95.94065s) started
T25 << 1462784927.09305501 Get neighbors (98.26585s) stopped
T25 >> 1462784927.09342504 broadcast dH (11.00800s) started
T25 << 1462784927.33769488 broadcast dH (11.25227s) stopped
T25 << 1462784927.33774495 Prepare TCI loop (109.57620s) stopped
T25 >> 1462784927.33776498 Not so complicated loop (451.63949s) started
T25 << 1462784937.92136693 Not so complicated loop (462.22309s) stopped
T25 >> 1462784938.04044104 Complicated loop (696.49500s) started
T25 << 1462784954.54199195 Complicated loop (712.99655s) stopped
T25 >> 1462784954.54517388 Wait for sum (0.00459s) started
T25 << 1462784954.54525995 Wait for sum (0.00467s) stopped
T25 << 1462784954.54527402 LCAO forces (3445.52613s) stopped
T25 << 1462784963.66416311 Force calculation (3839.29669s) stopped
T25 >> 1462784963.68526292 Initialization (5773.98186s) started
T25 << 1462784963.68547511 Initialization (5773.98208s) stopped
T25 >> 1462784963.68574095 Initialization (5773.98209s) started
T25 << 1462784963.68589711 Initialization (5773.98225s) stopped
T25 >> 1462784963.68606091 Initialization (5773.98226s) started
T25 << 1462784963.68621612 Initialization (5773.98242s) stopped
T25 >> 1462784987.21875191 Initialization (5773.98244s) started
T25 >> 1462784987.22410893 Basic WFS set positions (6.27155s) started
T25 >> 1462784987.22413397 Redistribute (0.29482s) started
T25 << 1462784987.22427392 Redistribute (0.29496s) stopped
T25 << 1462784987.39117694 Basic WFS set positions (6.43861s) stopped
T25 >> 1462784987.39123106 Basis functions set positions (91.87254s) started
T25 << 1462784989.64030290 Basis functions set positions (94.12161s) stopped
T25 >> 1462784989.64925694 TCI: Calculate S, T, P (1133.14334s) started
T25 << 1462785018.23812509 TCI: Calculate S, T, P (1161.73221s) stopped
T25 >> 1462785018.23823309 blocked summation (1230.13890s) started
T25 << 1462785055.74596906 blocked summation (1267.64664s) stopped
T25 >> 1462785055.76282501 Scalapack redistribute (12.87133s) started
T25 << 1462785055.89910507 Scalapack redistribute (13.00761s) stopped
T25 >> 1462785055.90033388 blocked summation (1267.64668s) started
T25 << 1462785057.17676306 blocked summation (1268.92311s) stopped
T25 >> 1462785057.18600011 Scalapack redistribute (13.00769s) started
T25 << 1462785057.33369398 Scalapack redistribute (13.15538s) stopped
T25 >> 1462785057.33648705 Redistribute (0.84431s) started
T25 << 1462785057.33779597 Redistribute (0.84562s) stopped
T25 >> 1462785059.41840506 Redistribute (0.84565s) started
T25 << 1462785059.41973400 Redistribute (0.84698s) stopped
T25 >> 1462785059.44807196 LCAO WFS Initialize (3191.42506s) started
T25 >> 1462785059.44810796 Density initialize from wavefunctions (636.74575s) started
T25 >> 1462785059.45155501 Calculate density matrix (433.21589s) started
T25 << 1462785069.45125389 Calculate density matrix (443.21559s) stopped
T25 >> 1462785069.45130801 Construct density (70.65293s) started
T25 << 1462785071.09643602 Construct density (72.29806s) stopped
T25 >> 1462785071.10944605 Symmetrize density (0.00335s) started
T25 << 1462785071.10950804 Symmetrize density (0.00341s) stopped
T25 << 1462785074.19670200 Density initialize from wavefunctions (651.49435s) stopped
T25 >> 1462785074.19772196 Hamiltonian (2553.62869s) started
T25 >> 1462785074.19777608 vbar (1.09647s) started
T25 << 1462785074.23508000 vbar (1.13378s) stopped
T25 >> 1462785074.23521590 XC 3D grid (1321.66084s) started
T25 >> 1462785074.71601701 van der Waals (1277.73645s) started
T25 >> 1462785074.85368991 semilocal (294.00074s) started
T25 << 1462785081.93238807 semilocal (301.07944s) stopped
T25 >> 1462785081.99641609 redistribute (133.95756s) started
T25 << 1462785082.91002202 redistribute (134.87116s) stopped
T25 >> 1462785082.91013598 libvdwxc nonlocal (840.81814s) started
T25 << 1462785102.22326303 libvdwxc nonlocal (860.13127s) stopped
T25 >> 1462785102.22336793 redistribute (134.87119s) started
T25 << 1462785104.24506211 redistribute (136.89289s) stopped
T25 << 1462785104.24656391 van der Waals (1307.26699s) stopped
T25 << 1462785104.73326993 XC 3D grid (1352.15890s) stopped
T25 >> 1462785104.73331189 Poisson (593.24036s) started
T25 << 1462785115.16771102 Poisson (603.67476s) stopped
T25 >> 1462785115.16783595 Hartree integrate/restrict (17.50102s) started
T25 << 1462785115.20287609 Hartree integrate/restrict (17.53606s) stopped
T25 >> 1462785115.20301890 Hartree integrate/restrict (17.53617s) started
T25 << 1462785115.59523010 Hartree integrate/restrict (17.92838s) stopped
T25 >> 1462785115.65385103 Atomic (594.31921s) started
T25 >> 1462785115.67860198 XC Correction (430.28801s) started
T25 << 1462785127.98161006 XC Correction (442.59102s) stopped
T25 << 1462785133.71200490 Atomic (612.37736s) stopped
T25 >> 1462785133.71248007 Communicate (23.12802s) started
T25 << 1462785133.71261311 Communicate (23.12815s) stopped
T25 << 1462785133.71263695 Hamiltonian (2613.14360s) stopped
T25 << 1462785133.71270299 LCAO WFS Initialize (3265.68969s) stopped
T25 << 1462785133.72528911 Initialization (5920.48898s) stopped
T25 >> 1462785133.75593305 SCF-cycle (78200.92707s) started
T25 >> 1462785133.75599194 LCAO eigensolver (25400.30445s) started
T25 >> 1462785133.75600696 Potential matrix (848.71388s) started
T25 << 1462785136.18105197 Potential matrix (851.13893s) stopped
T25 >> 1462785136.18115211 DistributedAtomicCorrection (360.53658s) started
T25 << 1462785137.26484203 DistributedAtomicCorrection (361.62027s) stopped
T25 >> 1462785137.26495600 Distribute overlap matrix (1990.75232s) started
T25 >> 1462785137.26498604 blocked summation (1947.61778s) started
T25 << 1462785143.22411394 blocked summation (1953.57691s) stopped
T25 >> 1462785143.23445201 Scalapack redistribute (39.74895s) started
T25 << 1462785143.32130790 Scalapack redistribute (39.83580s) stopped
T25 << 1462785143.32142401 Distribute overlap matrix (1996.80878s) stopped
T25 >> 1462785143.32665706 Blacs Orbital Layouts (20458.52483s) started
T25 >> 1462785143.33416796 General diagonalize (20372.85550s) started
T25 << 1462785201.38651395 General diagonalize (20430.90785s) stopped
T25 >> 1462785201.38656092 Redistribute coefs (7.03177s) started
T25 << 1462785201.41283703 Redistribute coefs (7.05805s) stopped
T25 >> 1462785201.41318107 Send coefs to domains (75.47534s) started
T25 << 1462785201.67080998 Send coefs to domains (75.73296s) stopped
T25 << 1462785201.67124510 Blacs Orbital Layouts (20516.86942s) stopped
T25 >> 1462785201.67127395 Calculate projections (1739.70799s) started
T25 << 1462785206.59893990 Calculate projections (1744.63566s) stopped
T25 << 1462785206.59934211 LCAO eigensolver (25473.14780s) stopped
T25 >> 1462785207.73428893 Density (5427.49461s) started
T25 >> 1462785207.73430395 Pseudo density (4438.24622s) started
T25 >> 1462785207.73626494 Calculate density matrix (3914.63320s) started
T25 << 1462785220.72965598 Calculate density matrix (3927.62659s) stopped
T25 >> 1462785220.72972107 Construct density (510.31876s) started
T25 << 1462785222.37781596 Construct density (511.96685s) stopped
T25 >> 1462785222.39248800 Symmetrize density (0.02461s) started
T25 << 1462785222.39254689 Symmetrize density (0.02467s) stopped
T25 << 1462785222.39490891 Pseudo density (4452.90682s) stopped
T25 >> 1462785222.39496493 Atomic density matrices (823.98415s) started
T25 << 1462785225.10813808 Atomic density matrices (826.69732s) stopped
T25 >> 1462785225.10818911 Multipole moments (3.14421s) started
T25 << 1462785225.12150407 Multipole moments (3.15753s) stopped
T25 >> 1462785225.12156606 Normalize (2.59332s) started
T25 << 1462785225.13353992 Normalize (2.60529s) stopped
T25 >> 1462785225.13360500 Mix (159.48919s) started
T25 << 1462785225.56692505 Mix (159.92251s) stopped
T25 << 1462785225.56699991 Density (5445.32733s) stopped
T25 >> 1462785225.56723595 Hamiltonian (46893.81221s) started
T25 >> 1462785225.56725407 vbar (8.59818s) started
T25 << 1462785225.59316111 vbar (8.62408s) stopped
T25 >> 1462785225.59325695 XC 3D grid (40442.51689s) started
T25 >> 1462785226.15038991 van der Waals (40131.95365s) started
T25 >> 1462785226.28170800 semilocal (30057.44199s) started
T25 << 1462785232.74685192 semilocal (30063.90714s) stopped
T25 >> 1462785232.84688497 redistribute (4058.36683s) started
T25 << 1462785234.29124188 redistribute (4059.81118s) stopped
T25 >> 1462785234.29135895 libvdwxc nonlocal (5950.08044s) started
T25 << 1462785253.45351100 libvdwxc nonlocal (5969.24260s) stopped
T25 >> 1462785253.45357895 redistribute (4059.81122s) started
T25 << 1462785255.14794207 redistribute (4061.50558s) stopped
T25 << 1462785255.14979005 van der Waals (40160.95305s) stopped
T25 << 1462785255.64051604 XC 3D grid (40472.56415s) stopped
T25 >> 1462785255.64055610 Poisson (2346.02156s) started
T25 << 1462785260.03137708 Poisson (2350.41238s) stopped
T25 >> 1462785260.03146601 Hartree integrate/restrict (121.41084s) started
T25 << 1462785260.08671188 Hartree integrate/restrict (121.46608s) stopped
T25 >> 1462785260.08681107 Hartree integrate/restrict (121.46616s) started
T25 << 1462785260.43173790 Hartree integrate/restrict (121.81108s) stopped
T25 >> 1462785260.48840308 Atomic (3570.19454s) started
T25 >> 1462785260.51182103 XC Correction (2672.16060s) started
T25 << 1462785272.39749289 XC Correction (2684.04627s) stopped
T25 << 1462785278.33516598 Atomic (3588.04130s) stopped
T25 >> 1462785278.33551407 Communicate (386.81059s) started
T25 << 1462785278.33562994 Communicate (386.81070s) stopped
T25 << 1462785278.33565211 Hamiltonian (46946.58063s) stopped
T25 >> 1462785278.33575392 LCAO eigensolver (25473.14782s) started
T25 >> 1462785278.33576894 Potential matrix (851.13898s) started
T25 << 1462785280.75219703 Potential matrix (853.55541s) stopped
T25 >> 1462785280.75228596 DistributedAtomicCorrection (361.62031s) started
T25 << 1462785281.88035798 DistributedAtomicCorrection (362.74838s) stopped
T25 >> 1462785281.88045907 Distribute overlap matrix (1996.80880s) started
T25 >> 1462785281.88048291 blocked summation (1953.57694s) started
T25 << 1462785288.05781889 blocked summation (1959.75428s) stopped
T25 >> 1462785288.06717992 Scalapack redistribute (39.83589s) started
T25 << 1462785288.16939807 Scalapack redistribute (39.93810s) stopped
T25 << 1462785288.16950011 Distribute overlap matrix (2003.09784s) stopped
T25 >> 1462785288.17525101 Blacs Orbital Layouts (20516.86944s) started
T25 >> 1462785288.18291402 General diagonalize (20430.90788s) started
T25 << 1462785347.95867491 General diagonalize (20490.68364s) stopped
T25 >> 1462785347.95872092 Redistribute coefs (7.05839s) started
T25 << 1462785347.98282504 Redistribute coefs (7.08249s) stopped
T25 >> 1462785347.98287106 Send coefs to domains (75.73302s) started
T25 << 1462785348.06539512 Send coefs to domains (75.81554s) stopped
T25 << 1462785348.06572199 Blacs Orbital Layouts (20576.75991s) stopped
T25 >> 1462785348.06576204 Calculate projections (1744.63571s) started
T25 << 1462785352.99666500 Calculate projections (1749.56662s) stopped
T25 << 1462785352.99702907 LCAO eigensolver (25547.80910s) stopped
T25 >> 1462785354.12332511 Density (5445.32734s) started
T25 >> 1462785354.12333989 Pseudo density (4452.90687s) started
T25 >> 1462785354.12526202 Calculate density matrix (3927.62664s) started
T25 << 1462785367.10373807 Calculate density matrix (3940.60511s) stopped
T25 >> 1462785367.10379601 Construct density (511.96691s) started
T25 << 1462785368.76008201 Construct density (513.62319s) stopped
T25 >> 1462785368.77442694 Symmetrize density (0.02468s) started
T25 << 1462785368.77448511 Symmetrize density (0.02474s) stopped
T25 << 1462785368.77683806 Pseudo density (4467.56036s) stopped
T25 >> 1462785368.77689290 Atomic density matrices (826.69735s) started
T25 << 1462785371.43848491 Atomic density matrices (829.35894s) stopped
T25 >> 1462785371.43853688 Multipole moments (3.15754s) started
T25 << 1462785371.45061803 Multipole moments (3.16963s) stopped
T25 >> 1462785371.45068097 Normalize (2.60534s) started
T25 << 1462785371.45979810 Normalize (2.61446s) stopped
T25 >> 1462785371.45987201 Mix (159.92258s) started
T25 << 1462785371.91544795 Mix (160.37816s) stopped
T25 << 1462785371.91552711 Density (5463.11954s) stopped
T25 >> 1462785371.91577601 Hamiltonian (46946.58064s) started
T25 >> 1462785371.91579509 vbar (8.62414s) started
T25 << 1462785371.94397593 vbar (8.65232s) stopped
T25 >> 1462785371.94414997 XC 3D grid (40472.56418s) started
T25 >> 1462785372.42888188 van der Waals (40160.95310s) started
T25 >> 1462785372.55853891 semilocal (30063.90728s) started
T25 << 1462785378.99217796 semilocal (30070.34092s) stopped
T25 >> 1462785379.08593297 redistribute (4061.50564s) started
T25 << 1462785380.44462609 redistribute (4062.86433s) stopped
T25 >> 1462785380.44474196 libvdwxc nonlocal (5969.24265s) started
T25 << 1462785400.05455494 libvdwxc nonlocal (5988.85246s) stopped
T25 >> 1462785400.05461907 redistribute (4062.86436s) started
T25 << 1462785401.71199203 redistribute (4064.52174s) stopped
T25 << 1462785401.71361995 van der Waals (40190.23784s) stopped
T25 << 1462785402.20946407 XC 3D grid (40502.82949s) stopped
T25 >> 1462785402.20950603 Poisson (2350.41245s) started
T25 << 1462785408.04265809 Poisson (2356.24560s) stopped
T25 >> 1462785408.04278994 Hartree integrate/restrict (121.81112s) started
T25 << 1462785408.08547711 Hartree integrate/restrict (121.85381s) stopped
T25 >> 1462785408.08558989 Hartree integrate/restrict (121.85389s) started
T25 << 1462785408.43877792 Hartree integrate/restrict (122.20707s) stopped
T25 >> 1462785408.49400711 Atomic (3588.04133s) started
T25 >> 1462785408.51832199 XC Correction (2684.04630s) started
T25 << 1462785420.41469908 XC Correction (2695.94268s) stopped
T25 << 1462785425.89639497 Atomic (3605.44372s) stopped
T25 >> 1462785425.89675593 Communicate (386.81072s) started
T25 << 1462785425.89687109 Communicate (386.81083s) stopped
T25 << 1462785425.89689398 Hamiltonian (47000.56176s) stopped
T25 >> 1462785425.89700389 LCAO eigensolver (25547.80912s) started
T25 >> 1462785425.89702010 Potential matrix (853.55546s) started
T25 << 1462785428.31876802 Potential matrix (855.97721s) stopped
T25 >> 1462785428.31886697 DistributedAtomicCorrection (362.74842s) started
T25 << 1462785429.42359710 DistributedAtomicCorrection (363.85315s) stopped
T25 >> 1462785429.42369509 Distribute overlap matrix (2003.09785s) started
T25 >> 1462785429.42372108 blocked summation (1959.75431s) started
T25 << 1462785435.46945906 blocked summation (1965.80005s) stopped
T25 >> 1462785435.47921300 Scalapack redistribute (39.93817s) started
T25 << 1462785435.57436705 Scalapack redistribute (40.03332s) stopped
T25 << 1462785435.57443810 Distribute overlap matrix (2009.24860s) stopped
T25 >> 1462785435.57942104 Blacs Orbital Layouts (20576.75993s) started
T25 >> 1462785435.58680201 General diagonalize (20490.68368s) started
T25 << 1462785493.11627603 General diagonalize (20548.21315s) stopped
T25 >> 1462785493.11634707 Redistribute coefs (7.08253s) started
T25 << 1462785493.13241601 Redistribute coefs (7.09860s) stopped
T25 >> 1462785493.13245893 Send coefs to domains (75.81558s) started
T25 << 1462785493.54077697 Send coefs to domains (76.22390s) stopped
T25 << 1462785493.54116702 Blacs Orbital Layouts (20634.72167s) stopped
T25 >> 1462785493.54120588 Calculate projections (1749.56667s) started
T25 << 1462785498.50597501 Calculate projections (1754.53144s) stopped
T25 << 1462785498.50615692 LCAO eigensolver (25620.41827s) stopped
T25 >> 1462785499.57154799 Density (5463.11956s) started
T25 >> 1462785499.57156301 Pseudo density (4467.56041s) started
T25 >> 1462785499.57338595 Calculate density matrix (3940.60515s) started
T25 << 1462785512.63893390 Calculate density matrix (3953.67070s) stopped
T25 >> 1462785512.63898802 Construct density (513.62325s) started
T25 << 1462785514.28518105 Construct density (515.26944s) stopped
T25 >> 1462785514.31568789 Symmetrize density (0.02476s) started
T25 << 1462785514.31574988 Symmetrize density (0.02482s) stopped
T25 << 1462785514.31783700 Pseudo density (4482.30668s) stopped
T25 >> 1462785514.31789589 Atomic density matrices (829.35896s) started
T25 << 1462785517.02645802 Atomic density matrices (832.06753s) stopped
T25 >> 1462785517.02650905 Multipole moments (3.16964s) started
T25 << 1462785517.03988409 Multipole moments (3.18302s) stopped
T25 >> 1462785517.03994799 Normalize (2.61452s) started
T25 << 1462785517.04785395 Normalize (2.62242s) stopped
T25 >> 1462785517.04790211 Mix (160.37824s) started
T25 << 1462785517.54609990 Mix (160.87643s) stopped
T25 << 1462785517.54618096 Density (5481.09419s) stopped
T25 >> 1462785517.54643893 Hamiltonian (47000.56177s) started
T25 >> 1462785517.54645896 vbar (8.65241s) started
T25 << 1462785517.57604790 vbar (8.68200s) stopped
T25 >> 1462785517.57617807 XC 3D grid (40502.82953s) started
T25 >> 1462785518.10113311 van der Waals (40190.23788s) started
T25 >> 1462785518.23282504 semilocal (30070.34103s) started
T25 << 1462785622.11183190 semilocal (30174.22004s) stopped
T25 >> 1462785622.17954302 redistribute (4064.52182s) started
T25 << 1462785623.37164092 redistribute (4065.71392s) stopped
T25 >> 1462785623.37175488 libvdwxc nonlocal (5988.85251s) started
T25 << 1462785642.13407993 libvdwxc nonlocal (6007.61483s) stopped
T25 >> 1462785642.13415194 redistribute (4065.71395s) started
T25 << 1462785644.05968308 redistribute (4067.63948s) stopped
T25 << 1462785644.06098509 van der Waals (40316.19773s) stopped
T25 << 1462785644.56334710 XC 3D grid (40629.81670s) stopped
T25 >> 1462785644.56340599 Poisson (2356.24570s) started
T25 << 1462785650.48708606 Poisson (2362.16938s) stopped
T25 >> 1462785650.48714900 Hartree integrate/restrict (122.20710s) started
T25 << 1462785650.52705097 Hartree integrate/restrict (122.24701s) stopped
T25 >> 1462785650.52711797 Hartree integrate/restrict (122.24705s) started
T25 << 1462785650.87300611 Hartree integrate/restrict (122.59293s) stopped
T25 >> 1462785650.93203497 Atomic (3605.44374s) started
T25 >> 1462785650.95652509 XC Correction (2695.94271s) started
T25 << 1462785662.56377792 XC Correction (2707.54996s) stopped
T25 << 1462785667.70572090 Atomic (3622.21743s) stopped
T25 >> 1462785667.70606208 Communicate (386.81085s) started
T25 << 1462785667.70618200 Communicate (386.81097s) stopped
T25 << 1462785667.70620489 Hamiltonian (47150.72154s) stopped
T25 >> 1462785667.70631289 LCAO eigensolver (25620.41829s) started
T25 >> 1462785667.70632911 Potential matrix (855.97727s) started
T25 << 1462785670.12437201 Potential matrix (858.39531s) stopped
T25 >> 1462785670.12446904 DistributedAtomicCorrection (363.85319s) started
T25 << 1462785671.24532294 DistributedAtomicCorrection (364.97404s) stopped
T25 >> 1462785671.24542308 Distribute overlap matrix (2009.24861s) started
T25 >> 1462785671.24544907 blocked summation (1965.80008s) started
T25 << 1462785677.24177098 blocked summation (1971.79640s) stopped
T25 >> 1462785677.25163293 Scalapack redistribute (40.03336s) started
T25 << 1462785677.37667489 Scalapack redistribute (40.15840s) stopped
T25 << 1462785677.37678099 Distribute overlap matrix (2015.37997s) stopped
T25 >> 1462785677.38150311 Blacs Orbital Layouts (20634.72169s) started
T25 >> 1462785677.38980389 General diagonalize (20548.21321s) started
T25 << 1462785737.77370691 General diagonalize (20608.59711s) stopped
T25 >> 1462785737.77375793 Redistribute coefs (7.09863s) started
T25 << 1462785737.79055405 Redistribute coefs (7.11543s) stopped
T25 >> 1462785737.79060102 Send coefs to domains (76.22394s) started
T25 << 1462785737.95644903 Send coefs to domains (76.38979s) stopped
T25 << 1462785737.95685911 Blacs Orbital Layouts (20695.29705s) stopped
T25 >> 1462785737.95692110 Calculate projections (1754.53150s) started
T25 << 1462785742.88508296 Calculate projections (1759.45966s) stopped
T25 << 1462785742.88529801 LCAO eigensolver (25695.59727s) stopped
T25 >> 1462785744.24014497 Density (5481.09421s) started
T25 >> 1462785744.24015999 Pseudo density (4482.30673s) started
T25 >> 1462785744.24209690 Calculate density matrix (3953.67074s) started
T25 << 1462785757.38099790 Calculate density matrix (3966.80964s) stopped
T25 >> 1462785757.38110805 Construct density (515.26950s) started
T25 << 1462785759.03523207 Construct density (516.92362s) stopped
T25 >> 1462785759.04931808 Symmetrize density (0.02484s) started
T25 << 1462785759.04937601 Symmetrize density (0.02490s) stopped
T25 << 1462785759.05172491 Pseudo density (4497.11830s) stopped
T25 >> 1462785759.05177903 Atomic density matrices (832.06755s) started
T25 << 1462785761.75447989 Atomic density matrices (834.77025s) stopped
T25 >> 1462785761.75453091 Multipole moments (3.18304s) started
T25 << 1462785761.76798797 Multipole moments (3.19649s) stopped
T25 >> 1462785761.76804996 Normalize (2.62246s) started
T25 << 1462785761.78012705 Normalize (2.63453s) stopped
T25 >> 1462785761.78023911 Mix (160.87652s) started
T25 << 1462785762.28288198 Mix (161.37916s) stopped
T25 << 1462785762.28298402 Density (5499.13704s) stopped
T25 >> 1462785762.28327608 Hamiltonian (47150.72155s) started
T25 >> 1462785762.28329802 vbar (8.68207s) started
T25 << 1462785762.30889106 vbar (8.70766s) stopped
T25 >> 1462785762.30903292 XC 3D grid (40629.81674s) started
T25 >> 1462785762.82089901 van der Waals (40316.19780s) started
T25 >> 1462785762.95278096 semilocal (30174.22039s) started
T25 << 1462785998.31216693 semilocal (30409.57978s) stopped
T25 >> 1462785998.39179111 redistribute (4067.63957s) started
T25 << 1462786050.14932895 redistribute (4119.39711s) stopped
T25 >> 1462786050.14944696 libvdwxc nonlocal (6007.61489s) started
T25 << 1462786069.71093011 libvdwxc nonlocal (6027.17637s) stopped
T25 >> 1462786069.71099091 redistribute (4119.39714s) started
T25 << 1462786071.32305598 redistribute (4121.00920s) stopped
T25 << 1462786071.32448101 van der Waals (40624.70138s) stopped
T25 << 1462786071.82245708 XC 3D grid (40939.33017s) stopped
T25 >> 1462786071.82249999 Poisson (2362.16942s) started
T25 << 1462786076.24074697 Poisson (2366.58767s) stopped
T25 >> 1462786076.24083495 Hartree integrate/restrict (122.59297s) started
T25 << 1462786076.30399609 Hartree integrate/restrict (122.65613s) stopped
T25 >> 1462786076.30405092 Hartree integrate/restrict (122.65617s) started
T25 << 1462786076.63975000 Hartree integrate/restrict (122.99187s) stopped
T25 >> 1462786076.70177507 Atomic (3622.21745s) started
T25 >> 1462786076.72614408 XC Correction (2707.54999s) started
T25 << 1462786088.26863098 XC Correction (2719.09247s) stopped
T25 << 1462786093.20137191 Atomic (3638.71705s) stopped
T25 >> 1462786093.20165896 Communicate (386.81098s) started
T25 << 1462786093.29389906 Communicate (386.90322s) stopped
T25 << 1462786093.29392290 Hamiltonian (47481.73220s) stopped
T25 >> 1462786093.29402900 LCAO eigensolver (25695.59729s) started
T25 >> 1462786093.29404402 Potential matrix (858.39536s) started
T25 << 1462786095.71131706 Potential matrix (860.81264s) stopped
T25 >> 1462786095.71141291 DistributedAtomicCorrection (364.97408s) started
T25 << 1462786096.82446599 DistributedAtomicCorrection (366.08714s) stopped
T25 >> 1462786096.82456207 Distribute overlap matrix (2015.37998s) started
T25 >> 1462786096.82458901 blocked summation (1971.79644s) started
T25 << 1462786102.84646606 blocked summation (1977.81831s) stopped
T25 >> 1462786102.85550308 Scalapack redistribute (40.15846s) started
T25 << 1462786102.97201991 Scalapack redistribute (40.27498s) stopped
T25 << 1462786102.97213101 Distribute overlap matrix (2021.52755s) stopped
T25 >> 1462786102.97736812 Blacs Orbital Layouts (20695.29707s) started
T25 >> 1462786102.98522902 General diagonalize (20608.59716s) started
T25 << 1462786162.72188592 General diagonalize (20668.33381s) stopped
T25 >> 1462786162.72193289 Redistribute coefs (7.11546s) started
T25 << 1462786162.74787211 Redistribute coefs (7.14140s) stopped
T25 >> 1462786162.74792004 Send coefs to domains (76.38983s) started
T25 << 1462786162.84726191 Send coefs to domains (76.48917s) stopped
T25 << 1462786162.84762406 Blacs Orbital Layouts (20755.16732s) stopped
T25 >> 1462786162.84765100 Calculate projections (1759.45971s) started
T25 << 1462786167.78022504 Calculate projections (1764.39228s) stopped
T25 << 1462786167.78043294 LCAO eigensolver (25770.08370s) stopped
T25 >> 1462786168.90116596 Density (5499.13706s) started
T25 >> 1462786168.90118098 Pseudo density (4497.11834s) started
T25 >> 1462786168.90384507 Calculate density matrix (3966.80973s) started
T25 << 1462786182.43422508 Calculate density matrix (3980.34011s) stopped
T25 >> 1462786182.43431711 Construct density (516.92368s) started
T25 << 1462786184.08579993 Construct density (518.57516s) stopped
T25 >> 1462786184.10008192 Symmetrize density (0.02491s) started
T25 << 1462786184.10013890 Symmetrize density (0.02497s) stopped
T25 << 1462786184.10251904 Pseudo density (4512.31968s) stopped
T25 >> 1462786184.10257602 Atomic density matrices (834.77028s) started
T25 << 1462786186.80981112 Atomic density matrices (837.47751s) stopped
T25 >> 1462786186.80986190 Multipole moments (3.19651s) started
T25 << 1462786186.82451701 Multipole moments (3.21116s) stopped
T25 >> 1462786186.82457805 Normalize (2.63462s) started
T25 << 1462786186.83691907 Normalize (2.64696s) stopped
T25 >> 1462786186.83700204 Mix (161.37926s) started
T25 << 1462786187.39955711 Mix (161.94181s) stopped
T25 << 1462786187.39964104 Density (5517.63554s) stopped
T25 >> 1462786187.39992499 Hamiltonian (47481.73221s) started
T25 >> 1462786187.39994407 vbar (8.70774s) started
T25 << 1462786187.41958404 vbar (8.72738s) stopped
T25 >> 1462786187.41967201 XC 3D grid (40939.33020s) started
T25 >> 1462786187.93626499 van der Waals (40624.70144s) started
T25 >> 1462786188.06556296 semilocal (30409.57987s) started
T25 << 1462788125.88935900 semilocal (32347.40366s) stopped
T25 >> 1462788125.98059201 redistribute (4121.00928s) started
T25 << 1462788127.36684799 redistribute (4122.39554s) stopped
T25 >> 1462788127.36698890 libvdwxc nonlocal (6027.17642s) started
T25 << 1462788146.80070710 libvdwxc nonlocal (6046.61014s) stopped
T25 >> 1462788146.80077505 redistribute (4122.39559s) started
T25 << 1462788148.62628698 redistribute (4124.22110s) stopped
T25 << 1462788148.62806392 van der Waals (42585.39324s) stopped
T25 << 1462788149.12062001 XC 3D grid (42901.03115s) stopped
T25 >> 1462788149.12066507 Poisson (2366.58774s) started
T25 << 1462788153.66628599 Poisson (2371.13336s) stopped
T25 >> 1462788153.66639090 Hartree integrate/restrict (122.99190s) started
T25 << 1462788153.72286797 Hartree integrate/restrict (123.04838s) stopped
T25 >> 1462788153.72293091 Hartree integrate/restrict (123.04842s) started
T25 << 1462788154.04081798 Hartree integrate/restrict (123.36631s) stopped
T25 >> 1462788154.10423112 Atomic (3638.71707s) started
T25 >> 1462788154.12879896 XC Correction (2719.09250s) started
T25 << 1462788165.75644302 XC Correction (2730.72015s) stopped
T25 << 1462788170.75755596 Atomic (3655.37039s) stopped
T25 >> 1462788170.75789189 Communicate (386.90324s) started
T25 << 1462788170.75801301 Communicate (386.90336s) stopped
T25 << 1462788170.75803590 Hamiltonian (49465.09032s) stopped
T25 >> 1462788170.75814295 LCAO eigensolver (25770.08371s) started
T25 >> 1462788170.75815892 Potential matrix (860.81269s) started
T25 << 1462788173.18045092 Potential matrix (863.23498s) stopped
T25 >> 1462788173.18053699 DistributedAtomicCorrection (366.08718s) started
T25 << 1462788174.33559608 DistributedAtomicCorrection (367.24223s) stopped
T25 >> 1462788174.33569598 Distribute overlap matrix (2021.52756s) started
T25 >> 1462788174.33571911 blocked summation (1977.81834s) started
T25 << 1462788180.35386109 blocked summation (1983.83649s) stopped
T25 >> 1462788180.36308694 Scalapack redistribute (40.27505s) started
T25 << 1462788180.47833204 Scalapack redistribute (40.39029s) stopped
T25 << 1462788180.47842407 Distribute overlap matrix (2027.67029s) stopped
T25 >> 1462788180.48340392 Blacs Orbital Layouts (20755.16734s) started
T25 >> 1462788180.49056292 General diagonalize (20668.33385s) started
T25 << 1462788241.66121292 General diagonalize (20729.50450s) stopped
T25 >> 1462788241.66126204 Redistribute coefs (7.14144s) started
T25 << 1462788241.67771292 Redistribute coefs (7.15789s) stopped
T25 >> 1462788241.67776608 Send coefs to domains (76.48922s) started
T25 << 1462788241.77515507 Send coefs to domains (76.58661s) stopped
T25 << 1462788241.77545905 Blacs Orbital Layouts (20816.45940s) stopped
T25 >> 1462788241.77548695 Calculate projections (1764.39234s) started
T25 << 1462788246.70900297 Calculate projections (1769.32586s) stopped
T25 << 1462788246.70935702 LCAO eigensolver (25846.03493s) stopped
T25 << 1462788247.84030795 SCF-cycle (81315.01145s) stopped
T25 >> 1462788250.92758894 Force calculation (3839.29672s) started
T25 >> 1462788250.92765999 LCAO forces (3445.52614s) started
T25 >> 1462788250.92802501 Initial (0.00098s) started
T25 << 1462788250.92803502 Initial (0.00099s) stopped
T25 >> 1462788250.93467093 Get density matrix (1607.25318s) started
T25 << 1462788260.29103899 Get density matrix (1616.60954s) stopped
T25 >> 1462788260.29108691 Potential (547.77240s) started
T25 << 1462788272.84622192 Potential (560.32753s) stopped
T25 >> 1462788272.84627604 Get density matrix (1616.60958s) started
T25 << 1462788300.41325998 Get density matrix (1644.17657s) stopped
T25 >> 1462788300.41331792 Prepare TCI loop (109.57621s) started
T25 >> 1462788300.41386199 Get neighbors (98.26590s) started
T25 << 1462788302.67550707 Get neighbors (100.52755s) stopped
T25 >> 1462788302.67597294 broadcast dH (11.25230s) started
T25 << 1462788303.00262809 broadcast dH (11.57896s) stopped
T25 << 1462788303.00268102 Prepare TCI loop (112.16558s) stopped
T25 >> 1462788303.00270104 Not so complicated loop (462.22313s) started
T25 << 1462788313.67605901 Not so complicated loop (472.89649s) stopped
T25 >> 1462788313.79465795 Complicated loop (712.99658s) started
T25 << 1462788330.23289895 Complicated loop (729.43482s) stopped
T25 >> 1462788330.23591399 Wait for sum (0.00469s) started
T25 << 1462788330.23600197 Wait for sum (0.00477s) stopped
T25 << 1462788330.23601604 LCAO forces (3524.83450s) stopped
T25 << 1462788338.14875388 Force calculation (3926.51788s) stopped
T25 >> 1462788338.17109489 Initialization (5920.48899s) started
T25 << 1462788338.17131710 Initialization (5920.48922s) stopped
T25 >> 1462788338.17158198 Initialization (5920.48923s) started
T25 << 1462788338.17173100 Initialization (5920.48938s) stopped
T25 >> 1462788338.17187500 Initialization (5920.48940s) started
T25 << 1462788338.17204595 Initialization (5920.48957s) stopped
T25 >> 1462788361.61459398 Initialization (5920.48959s) started
T25 >> 1462788361.74299002 Basic WFS set positions (6.43864s) started
T25 >> 1462788361.74301291 Redistribute (0.29497s) started
T25 << 1462788361.74315095 Redistribute (0.29511s) stopped
T25 << 1462788361.91428995 Basic WFS set positions (6.60994s) stopped
T25 >> 1462788361.91434598 Basis functions set positions (94.12164s) started
T25 << 1462788364.16548705 Basis functions set positions (96.37278s) stopped
T25 >> 1462788364.17473412 TCI: Calculate S, T, P (1161.73224s) started
T25 << 1462788392.56908607 TCI: Calculate S, T, P (1190.12660s) stopped
T25 >> 1462788392.56919694 blocked summation (1268.92315s) started
T25 << 1462788428.05247498 blocked summation (1304.40643s) stopped
T25 >> 1462788428.06459498 Scalapack redistribute (13.15542s) started
T25 << 1462788428.20288706 Scalapack redistribute (13.29371s) stopped
T25 >> 1462788428.20427990 blocked summation (1304.40647s) started
T25 << 1462788429.67772388 blocked summation (1305.87991s) stopped
T25 >> 1462788429.68730593 Scalapack redistribute (13.29379s) started
T25 << 1462788429.81437206 Scalapack redistribute (13.42086s) stopped
T25 >> 1462788429.81961393 Redistribute (0.84703s) started
T25 << 1462788429.82088804 Redistribute (0.84830s) stopped
T25 >> 1462788431.76741600 Redistribute (0.84832s) started
T25 << 1462788431.76916790 Redistribute (0.85007s) stopped
T25 >> 1462788431.80040908 LCAO WFS Initialize (3265.68971s) started
T25 >> 1462788431.80043507 Density initialize from wavefunctions (651.49444s) started
T25 >> 1462788431.80385399 Calculate density matrix (443.21562s) started
T25 << 1462788441.86694002 Calculate density matrix (453.27871s) stopped
T25 >> 1462788441.86700296 Construct density (72.29812s) started
T25 << 1462788443.51568794 Construct density (73.94680s) stopped
T25 >> 1462788443.52854991 Symmetrize density (0.00343s) started
T25 << 1462788443.52861094 Symmetrize density (0.00349s) stopped
T25 << 1462788446.63650799 Density initialize from wavefunctions (666.33051s) stopped
T25 >> 1462788446.63725805 Hamiltonian (2613.14361s) started
T25 >> 1462788446.63727903 vbar (1.13385s) started
T25 << 1462788446.65897489 vbar (1.15554s) stopped
T25 >> 1462788446.65910411 XC 3D grid (1352.15893s) started
T25 >> 1462788447.21073699 van der Waals (1307.26704s) started
T25 >> 1462788447.34389496 semilocal (301.07952s) started
T25 << 1462788454.74333310 semilocal (308.47896s) stopped
T25 >> 1462788454.80602002 redistribute (136.89294s) started
T25 << 1462788455.72150993 redistribute (137.80843s) stopped
T25 >> 1462788455.72162795 libvdwxc nonlocal (860.13135s) started
T25 << 1462788474.37940407 libvdwxc nonlocal (878.78913s) stopped
T25 >> 1462788474.37948489 redistribute (137.80846s) started
T25 << 1462788476.22393894 redistribute (139.65291s) stopped
T25 << 1462788476.22587490 van der Waals (1336.28217s) stopped
T25 << 1462788476.71075201 XC 3D grid (1382.21058s) stopped
T25 >> 1462788476.71079803 Poisson (603.67487s) started
T25 << 1462788488.24268889 Poisson (615.20676s) stopped
T25 >> 1462788488.24280190 Hartree integrate/restrict (17.92841s) started
T25 << 1462788488.28466201 Hartree integrate/restrict (17.97027s) stopped
T25 >> 1462788488.28484607 Hartree integrate/restrict (17.97040s) started
T25 << 1462788488.62632799 Hartree integrate/restrict (18.31188s) stopped
T25 >> 1462788488.68837500 Atomic (612.37738s) started
T25 >> 1462788488.71301794 XC Correction (442.59105s) started
T25 << 1462788500.68993211 XC Correction (454.56797s) stopped
T25 << 1462788506.74185109 Atomic (630.43086s) stopped
T25 >> 1462788506.74226403 Communicate (23.12816s) started
T25 << 1462788506.74257994 Communicate (23.12848s) stopped
T25 << 1462788506.74260306 Hamiltonian (2673.24896s) stopped
T25 << 1462788506.74266696 LCAO WFS Initialize (3340.63196s) stopped
T25 << 1462788506.75514102 Initialization (6065.63014s) stopped
T25 >> 1462788506.78594708 SCF-cycle (81315.01147s) started
T25 >> 1462788506.78601098 LCAO eigensolver (25846.03495s) started
T25 >> 1462788506.78602600 Potential matrix (863.23503s) started
T25 << 1462788509.19215894 Potential matrix (865.64117s) stopped
T25 >> 1462788509.19225311 DistributedAtomicCorrection (367.24227s) started
T25 << 1462788510.27581692 DistributedAtomicCorrection (368.32584s) stopped
T25 >> 1462788510.27591610 Distribute overlap matrix (2027.67030s) started
T25 >> 1462788510.27594090 blocked summation (1983.83652s) started
T25 << 1462788516.13598704 blocked summation (1989.69656s) stopped
T25 >> 1462788516.14566588 Scalapack redistribute (40.39035s) started
T25 << 1462788516.24411011 Scalapack redistribute (40.48879s) stopped
T25 << 1462788516.24422002 Distribute overlap matrix (2033.63861s) stopped
T25 >> 1462788516.24853897 Blacs Orbital Layouts (20816.45942s) started
T25 >> 1462788516.25592995 General diagonalize (20729.50454s) started
T25 << 1462788577.42968297 General diagonalize (20790.67829s) stopped
T25 >> 1462788577.42973089 Redistribute coefs (7.15793s) started
T25 << 1462788577.46086502 Redistribute coefs (7.18907s) stopped
T25 >> 1462788577.46090198 Send coefs to domains (76.58664s) started
T25 << 1462788577.77350402 Send coefs to domains (76.89924s) stopped
T25 << 1462788577.77385211 Blacs Orbital Layouts (20877.98473s) stopped
T25 >> 1462788577.77388000 Calculate projections (1769.32591s) started
T25 << 1462788582.72745991 Calculate projections (1774.27949s) stopped
T25 << 1462788582.72786093 LCAO eigensolver (25921.97680s) stopped
T25 >> 1462788583.73127103 Density (5517.63555s) started
T25 >> 1462788583.73128510 Pseudo density (4512.31972s) started
T25 >> 1462788583.73337603 Calculate density matrix (3980.34015s) started
T25 << 1462788597.74300289 Calculate density matrix (3994.34978s) stopped
T25 >> 1462788597.74305606 Construct density (518.57521s) started
T25 << 1462788599.38903594 Construct density (520.22119s) stopped
T25 >> 1462788599.40809894 Symmetrize density (0.02499s) started
T25 << 1462788599.40816092 Symmetrize density (0.02505s) stopped
T25 << 1462788599.41026306 Pseudo density (4527.99870s) stopped
T25 >> 1462788599.41032100 Atomic density matrices (837.47754s) started
T25 << 1462788602.11032009 Atomic density matrices (840.17754s) stopped
T25 >> 1462788602.11037207 Multipole moments (3.21118s) started
T25 << 1462788602.12304401 Multipole moments (3.22385s) stopped
T25 >> 1462788602.12310791 Normalize (2.64702s) started
T25 << 1462788602.12983704 Normalize (2.65375s) stopped
T25 >> 1462788602.12996411 Mix (161.94189s) started
T25 << 1462788602.59962296 Mix (162.41155s) stopped
T25 << 1462788602.59969711 Density (5536.50398s) stopped
T25 >> 1462788602.59991598 Hamiltonian (49465.09033s) started
T25 >> 1462788602.59993291 vbar (8.72743s) started
T25 << 1462788602.62021208 vbar (8.74771s) stopped
T25 >> 1462788602.62031198 XC 3D grid (42901.03118s) started
T25 >> 1462788603.17041993 van der Waals (42585.39328s) started
T25 >> 1462788603.30273294 semilocal (32347.40671s) started
T25 << 1462788610.50174093 semilocal (32354.60572s) stopped
T25 >> 1462788610.58123803 redistribute (4124.22117s) started
T25 << 1462788611.56011891 redistribute (4125.20005s) stopped
T25 >> 1462788611.56024098 libvdwxc nonlocal (6046.61019s) started
T25 << 1462788630.84825897 libvdwxc nonlocal (6065.89821s) stopped
T25 >> 1462788630.84833193 redistribute (4125.20008s) started
T25 << 1462788632.94867802 redistribute (4127.30043s) stopped
T25 << 1462788632.95049596 van der Waals (42615.17336s) stopped
T25 << 1462788633.44325805 XC 3D grid (42931.85413s) stopped
T25 >> 1462788633.44329810 Poisson (2371.13343s) started
T25 << 1462788639.26089191 Poisson (2376.95103s) stopped
T25 >> 1462788639.26095700 Hartree integrate/restrict (123.36639s) started
T25 << 1462788639.30037904 Hartree integrate/restrict (123.40581s) stopped
T25 >> 1462788639.30052710 Hartree integrate/restrict (123.40591s) started
T25 << 1462788639.66249704 Hartree integrate/restrict (123.76788s) stopped
T25 >> 1462788639.72000408 Atomic (3655.37042s) started
T25 >> 1462788639.74408698 XC Correction (2730.72018s) started
T25 << 1462788651.57586193 XC Correction (2742.55195s) stopped
T25 << 1462788657.94588804 Atomic (3673.59630s) stopped
T25 >> 1462788657.94626594 Communicate (386.90337s) started
T25 << 1462788657.94639111 Communicate (386.90350s) stopped
T25 << 1462788657.94641495 Hamiltonian (49520.43683s) stopped
T25 >> 1462788657.94652009 LCAO eigensolver (25921.97682s) started
T25 >> 1462788657.94653606 Potential matrix (865.64122s) started
T25 << 1462788660.36540699 Potential matrix (868.06009s) stopped
T25 >> 1462788660.36550403 DistributedAtomicCorrection (368.32588s) started
T25 << 1462788661.45279288 DistributedAtomicCorrection (369.41317s) stopped
T25 >> 1462788661.45289111 Distribute overlap matrix (2033.63862s) started
T25 >> 1462788661.45291710 blocked summation (1989.69660s) started
T25 << 1462788667.40397811 blocked summation (1995.64766s) stopped
T25 >> 1462788667.41351295 Scalapack redistribute (40.48887s) started
T25 << 1462788667.52018809 Scalapack redistribute (40.59555s) stopped
T25 << 1462788667.52024388 Distribute overlap matrix (2039.70597s) stopped
T25 >> 1462788667.52475905 Blacs Orbital Layouts (20877.98475s) started
T25 >> 1462788667.53301096 General diagonalize (20790.67833s) started
T25 << 1462788724.75658202 General diagonalize (20847.90190s) stopped
T25 >> 1462788724.75662804 Redistribute coefs (7.18909s) started
T25 << 1462788724.78299403 Redistribute coefs (7.21546s) stopped
T25 >> 1462788724.78303409 Send coefs to domains (76.89928s) started
T25 << 1462788724.87407398 Send coefs to domains (76.99032s) stopped
T25 << 1462788724.87468910 Blacs Orbital Layouts (20935.33468s) stopped
T25 >> 1462788724.87471795 Calculate projections (1774.27954s) started
T25 << 1462788729.80989909 Calculate projections (1779.21472s) stopped
T25 << 1462788729.81031203 LCAO eigensolver (25993.84061s) stopped
T25 >> 1462788730.86550808 Density (5536.50399s) started
T25 >> 1462788730.86552310 Pseudo density (4527.99875s) started
T25 >> 1462788730.86708689 Calculate density matrix (3994.34981s) started
T25 << 1462788743.94916010 Calculate density matrix (4007.43188s) stopped
T25 >> 1462788743.94921494 Construct density (520.22128s) started
T25 << 1462788745.60531092 Construct density (521.87737s) stopped
T25 >> 1462788745.61947107 Symmetrize density (0.02507s) started
T25 << 1462788745.61952710 Symmetrize density (0.02512s) stopped
T25 << 1462788745.62187696 Pseudo density (4542.75510s) stopped
T25 >> 1462788745.62192988 Atomic density matrices (840.17756s) started
T25 << 1462788748.29732203 Atomic density matrices (842.85295s) stopped
T25 >> 1462788748.29737496 Multipole moments (3.22387s) started
T25 << 1462788748.31000400 Multipole moments (3.23650s) stopped
T25 >> 1462788748.31007099 Normalize (2.65384s) started
T25 << 1462788748.31896091 Normalize (2.66273s) stopped
T25 >> 1462788748.31901789 Mix (162.41162s) started
T25 << 1462788748.76615095 Mix (162.85876s) stopped
T25 << 1462788748.76622295 Density (5554.40471s) stopped
T25 >> 1462788748.76651907 Hamiltonian (49520.43685s) started
T25 >> 1462788748.76655197 vbar (8.74777s) started
T25 << 1462788748.79316401 vbar (8.77438s) stopped
T25 >> 1462788748.79330897 XC 3D grid (42931.85416s) started
T25 >> 1462788749.30154109 van der Waals (42615.17345s) started
T25 >> 1462788749.43295693 semilocal (32354.60580s) started
T25 << 1462788756.02340007 semilocal (32361.19625s) stopped
T25 >> 1462788756.12207508 redistribute (4127.30048s) started
T25 << 1462788757.58805394 redistribute (4128.76646s) stopped
T25 >> 1462788757.58817101 libvdwxc nonlocal (6065.89826s) started
T25 << 1462788777.14431596 libvdwxc nonlocal (6085.45440s) stopped
T25 >> 1462788777.14436007 redistribute (4128.76650s) started
T25 << 1462788778.83548808 redistribute (4130.45762s) stopped
T25 << 1462788778.83735299 van der Waals (42644.70926s) stopped
T25 << 1462788779.32545590 XC 3D grid (42962.38631s) stopped
T25 >> 1462788779.32550097 Poisson (2376.95108s) started
T25 << 1462788785.14398909 Poisson (2382.76956s) stopped
T25 >> 1462788785.14406300 Hartree integrate/restrict (123.76795s) started
T25 << 1462788785.20061994 Hartree integrate/restrict (123.82450s) stopped
T25 >> 1462788785.20068097 Hartree integrate/restrict (123.82454s) started
T25 << 1462788785.52086902 Hartree integrate/restrict (124.14473s) stopped
T25 >> 1462788785.57998204 Atomic (3673.59632s) started
T25 >> 1462788785.60377789 XC Correction (2742.55198s) started
T25 << 1462788796.97208309 XC Correction (2753.92029s) stopped
T25 << 1462788803.32298708 Atomic (3691.33933s) stopped
T25 >> 1462788803.32331896 Communicate (386.90351s) started
T25 << 1462788803.32343698 Communicate (386.90363s) stopped
T25 << 1462788803.32345891 Hamiltonian (49574.99379s) stopped
T25 >> 1462788803.32356310 LCAO eigensolver (25993.84063s) started
T25 >> 1462788803.32357788 Potential matrix (868.06014s) started
T25 << 1462788805.75721908 Potential matrix (870.49379s) stopped
T25 >> 1462788805.75730205 DistributedAtomicCorrection (369.41321s) started
T25 << 1462788806.85411406 DistributedAtomicCorrection (370.51002s) stopped
T25 >> 1462788806.85420990 Distribute overlap matrix (2039.70599s) started
T25 >> 1462788806.85423493 blocked summation (1995.64769s) started
T25 << 1462788812.82792306 blocked summation (2001.62138s) stopped
T25 >> 1462788812.83730197 Scalapack redistribute (40.59558s) started
T25 << 1462788812.94774890 Scalapack redistribute (40.70603s) stopped
T25 << 1462788812.94785690 Distribute overlap matrix (2045.79963s) stopped
T25 >> 1462788812.95481610 Blacs Orbital Layouts (20935.33470s) started
T25 >> 1462788812.96277094 General diagonalize (20847.90194s) started
T25 << 1462788873.39101100 General diagonalize (20908.33018s) stopped
T25 >> 1462788873.39107108 Redistribute coefs (7.21549s) started
T25 << 1462788873.40785193 Redistribute coefs (7.23227s) stopped
T25 >> 1462788873.40789390 Send coefs to domains (76.99036s) started
T25 << 1462788873.53654695 Send coefs to domains (77.11901s) stopped
T25 << 1462788873.53701901 Blacs Orbital Layouts (20995.91691s) stopped
T25 >> 1462788873.53705192 Calculate projections (1779.21477s) started
T25 << 1462788878.49475908 Calculate projections (1784.17248s) stopped
T25 << 1462788878.49517488 LCAO eigensolver (26069.01224s) stopped
T25 >> 1462788880.09235311 Density (5554.40473s) started
T25 >> 1462788880.09236789 Pseudo density (4542.75514s) started
T25 >> 1462788880.09357595 Calculate density matrix (4007.43192s) started
T25 << 1462788893.32127500 Calculate density matrix (4020.65962s) stopped
T25 >> 1462788893.32132912 Construct density (521.87743s) started
T25 << 1462788894.96610308 Construct density (523.52220s) stopped
T25 >> 1462788894.97866201 Symmetrize density (0.02514s) started
T25 << 1462788894.97872496 Symmetrize density (0.02520s) stopped
T25 << 1462788894.98081994 Pseudo density (4557.64360s) stopped
T25 >> 1462788894.98087811 Atomic density matrices (842.85298s) started
T25 << 1462788897.65637589 Atomic density matrices (845.52847s) stopped
T25 >> 1462788897.65642810 Multipole moments (3.23652s) started
T25 << 1462788897.66987801 Multipole moments (3.24997s) stopped
T25 >> 1462788897.66994309 Normalize (2.66277s) started
T25 << 1462788897.67690992 Normalize (2.66974s) stopped
T25 >> 1462788897.67702794 Mix (162.85883s) started
T25 << 1462788898.22185898 Mix (163.40366s) stopped
T25 << 1462788898.22198200 Density (5572.53435s) stopped
T25 >> 1462788898.22239208 Hamiltonian (49574.99380s) started
T25 >> 1462788898.22244096 vbar (8.77446s) started
T25 << 1462788898.25118303 vbar (8.80320s) stopped
T25 >> 1462788898.25129890 XC 3D grid (42962.38634s) started
T25 >> 1462788898.71551204 van der Waals (42644.70937s) started
T25 >> 1462788898.85011101 semilocal (32361.19639s) started
T25 << 1462788905.89883590 semilocal (32368.24511s) stopped
T25 >> 1462788905.96759391 redistribute (4130.45767s) started
T25 << 1462788907.17359996 redistribute (4131.66368s) stopped
T25 >> 1462788907.17371988 libvdwxc nonlocal (6085.45444s) started
T25 << 1462788925.97700500 libvdwxc nonlocal (6104.25772s) stopped
T25 >> 1462788925.97707510 redistribute (4131.66371s) started
T25 << 1462788927.87508988 redistribute (4133.56172s) stopped
T25 << 1462788927.87724590 van der Waals (42673.87110s) stopped
T25 << 1462788928.36397099 XC 3D grid (42992.49902s) stopped
T25 >> 1462788928.36401296 Poisson (2382.76962s) started
T25 << 1462788934.70452595 Poisson (2389.11013s) stopped
T25 >> 1462788934.70459604 Hartree integrate/restrict (124.14477s) started
T25 << 1462788934.76397204 Hartree integrate/restrict (124.20415s) stopped
T25 >> 1462788934.76407695 Hartree integrate/restrict (124.20422s) started
T25 << 1462788935.07857394 Hartree integrate/restrict (124.51872s) stopped
T25 >> 1462788935.13614106 Atomic (3691.33935s) started
T25 >> 1462788935.15996599 XC Correction (2753.92031s) started
T25 << 1462788946.49449897 XC Correction (2765.25484s) stopped
T25 << 1462788952.13951707 Atomic (3708.34273s) stopped
T25 >> 1462788952.13987207 Communicate (386.90364s) started
T25 << 1462788952.13999009 Communicate (386.90376s) stopped
T25 << 1462788952.14001298 Hamiltonian (49628.91142s) stopped
T25 >> 1462788952.14012003 LCAO eigensolver (26069.01226s) started
T25 >> 1462788952.14013505 Potential matrix (870.49383s) started
T25 << 1462788954.56136107 Potential matrix (872.91506s) stopped
T25 >> 1462788954.56144404 DistributedAtomicCorrection (370.51006s) started
T25 << 1462788955.66954398 DistributedAtomicCorrection (371.61816s) stopped
T25 >> 1462788955.66963911 Distribute overlap matrix (2045.79965s) started
T25 >> 1462788955.66966295 blocked summation (2001.62141s) started
T25 << 1462788961.54099393 blocked summation (2007.49274s) stopped
T25 >> 1462788961.55094290 Scalapack redistribute (40.70609s) started
T25 << 1462788961.64906812 Scalapack redistribute (40.80421s) stopped
T25 << 1462788961.64923191 Distribute overlap matrix (2051.77924s) stopped
T25 >> 1462788961.65642190 Blacs Orbital Layouts (20995.91693s) started
T25 >> 1462788961.66500497 General diagonalize (20908.33023s) started
T25 << 1462789023.70560193 General diagonalize (20970.37082s) stopped
T25 >> 1462789023.70565104 Redistribute coefs (7.23230s) started
T25 << 1462789023.72143888 Redistribute coefs (7.24809s) stopped
T25 >> 1462789023.72148108 Send coefs to domains (77.11910s) started
T25 << 1462789024.04925299 Send coefs to domains (77.44687s) stopped
T25 << 1462789024.04972696 Blacs Orbital Layouts (21058.31023s) stopped
T25 >> 1462789024.04975796 Calculate projections (1784.17254s) started
T25 << 1462789029.01375794 Calculate projections (1789.13654s) stopped
T25 << 1462789029.01413989 LCAO eigensolver (26145.88628s) stopped
T25 >> 1462789030.00068092 Density (5572.53437s) started
T25 >> 1462789030.00069594 Pseudo density (4557.64364s) started
T25 >> 1462789030.00202489 Calculate density matrix (4020.65966s) started
T25 << 1462789043.89767194 Calculate density matrix (4034.55530s) stopped
T25 >> 1462789043.89772701 Construct density (523.52225s) started
T25 << 1462789045.53925109 Construct density (525.16378s) stopped
T25 >> 1462789045.59756804 Symmetrize density (0.02522s) started
T25 << 1462789045.59763098 Symmetrize density (0.02528s) stopped
T25 << 1462789045.59971595 Pseudo density (4573.24266s) stopped
T25 >> 1462789045.59977508 Atomic density matrices (845.52850s) started
T25 << 1462789048.26749301 Atomic density matrices (848.19622s) stopped
T25 >> 1462789048.26754594 Multipole moments (3.24998s) started
T25 << 1462789048.27972388 Multipole moments (3.26216s) stopped
T25 >> 1462789048.27978706 Normalize (2.66983s) started
T25 << 1462789048.28647089 Normalize (2.67652s) stopped
T25 >> 1462789048.28662896 Mix (163.40378s) started
T25 << 1462789048.87373900 Mix (163.99089s) stopped
T25 << 1462789048.87382007 Density (5591.40751s) stopped
T25 >> 1462789048.87406301 Hamiltonian (49628.91144s) started
T25 >> 1462789048.87408209 vbar (8.80326s) started
T25 << 1462789048.89520502 vbar (8.82439s) stopped
T25 >> 1462789048.89527106 XC 3D grid (42992.49905s) started
T25 >> 1462789049.40318990 van der Waals (42673.87118s) started
T25 >> 1462789049.53316998 semilocal (32368.24519s) started
T25 << 1462789258.48636007 semilocal (32577.19838s) stopped
T25 >> 1462789258.56600189 redistribute (4133.56182s) started
T25 << 1462789259.60411906 redistribute (4134.59994s) stopped
T25 >> 1462789259.60423994 libvdwxc nonlocal (6104.25778s) started
T25 << 1462789278.33990693 libvdwxc nonlocal (6122.99344s) stopped
T25 >> 1462789278.33997512 redistribute (4134.59997s) started
T25 << 1462789280.33602691 redistribute (4136.59602s) stopped
T25 << 1462789280.33748603 van der Waals (42904.80547s) stopped
T25 << 1462789280.83641505 XC 3D grid (43224.44019s) stopped
T25 >> 1462789280.83645797 Poisson (2389.11018s) started
T25 << 1462789285.21462297 Poisson (2393.48835s) stopped
T25 >> 1462789285.21477389 Hartree integrate/restrict (124.51878s) started
T25 << 1462789285.25391507 Hartree integrate/restrict (124.55792s) stopped
T25 >> 1462789285.25399208 Hartree integrate/restrict (124.55796s) started
T25 << 1462789285.61644411 Hartree integrate/restrict (124.92042s) stopped
T25 >> 1462789285.67641592 Atomic (3708.34275s) started
T25 >> 1462789285.70061803 XC Correction (2765.25487s) started
T25 << 1462789297.10007691 XC Correction (2776.65433s) stopped
T25 << 1462789302.06835389 Atomic (3724.73469s) stopped
T25 >> 1462789302.06871390 Communicate (386.90377s) started
T25 << 1462789302.06883788 Communicate (386.90390s) stopped
T25 << 1462789302.06886196 Hamiltonian (49882.10623s) stopped
T25 >> 1462789302.06897092 LCAO eigensolver (26145.88630s) started
T25 >> 1462789302.06899095 Potential matrix (872.91511s) started
T25 << 1462789304.49562311 Potential matrix (875.34174s) stopped
T25 >> 1462789304.49572206 DistributedAtomicCorrection (371.61819s) started
T25 << 1462789305.61282992 DistributedAtomicCorrection (372.73530s) stopped
T25 >> 1462789305.61292911 Distribute overlap matrix (2051.77926s) started
T25 >> 1462789305.61295390 blocked summation (2007.49277s) started
T25 << 1462789311.45921493 blocked summation (2013.33904s) stopped
T25 >> 1462789311.46889710 Scalapack redistribute (40.80431s) started
T25 << 1462789311.58500004 Scalapack redistribute (40.92041s) stopped
T25 << 1462789311.58506489 Distribute overlap matrix (2057.75139s) stopped
T25 >> 1462789311.59192896 Blacs Orbital Layouts (21058.31025s) started
T25 >> 1462789311.59966397 General diagonalize (20970.37086s) started
T25 << 1462789370.76067710 General diagonalize (21029.53188s) stopped
T25 >> 1462789370.76072192 Redistribute coefs (7.24812s) started
T25 << 1462789370.79191494 Redistribute coefs (7.27932s) stopped
T25 >> 1462789370.79195404 Send coefs to domains (77.44690s) started
T25 << 1462789371.05773211 Send coefs to domains (77.71268s) stopped
T25 << 1462789371.05806804 Blacs Orbital Layouts (21117.77639s) stopped
T25 >> 1462789371.05809689 Calculate projections (1789.13659s) started
T25 << 1462789376.02104497 Calculate projections (1794.09954s) stopped
T25 << 1462789376.02137804 LCAO eigensolver (26219.83870s) stopped
T25 << 1462789377.04802394 SCF-cycle (82185.27354s) stopped
T25 >> 1462789380.17767501 Force calculation (3926.51791s) started
T25 >> 1462789380.17775106 LCAO forces (3524.83451s) started
T25 >> 1462789380.17813110 Initial (0.00100s) started
T25 << 1462789380.17814207 Initial (0.00101s) stopped
T25 >> 1462789380.18468809 Get density matrix (1644.17660s) started
T25 << 1462789389.58691597 Get density matrix (1653.57883s) stopped
T25 >> 1462789389.58696008 Potential (560.32757s) started
T25 << 1462789402.09244800 Potential (572.83306s) stopped
T25 >> 1462789402.09250903 Get density matrix (1653.57886s) started
T25 << 1462789429.47075510 Get density matrix (1680.95711s) stopped
T25 >> 1462789429.47089005 Prepare TCI loop (112.16559s) started
T25 >> 1462789429.47138309 Get neighbors (100.52759s) started
T25 << 1462789431.80851507 Get neighbors (102.86472s) stopped
T25 >> 1462789431.80893493 broadcast dH (11.57899s) started
T25 << 1462789432.05488801 broadcast dH (11.82494s) stopped
T25 << 1462789432.05493808 Prepare TCI loop (114.74964s) stopped
T25 >> 1462789432.05495811 Not so complicated loop (472.89653s) started
T25 << 1462789442.62335396 Not so complicated loop (483.46492s) stopped
T25 >> 1462789442.74156189 Complicated loop (729.43486s) started
T25 << 1462789459.10718012 Complicated loop (745.80048s) stopped
T25 >> 1462789459.11088705 Wait for sum (0.00479s) started
T25 << 1462789459.11097407 Wait for sum (0.00488s) stopped
T25 << 1462789459.11098790 LCAO forces (3603.76775s) stopped
T25 << 1462789467.32877302 Force calculation (4013.66901s) stopped
T25 >> 1462789467.35029793 Initialization (6065.63015s) started
T25 << 1462789467.35050392 Initialization (6065.63036s) stopped
T25 >> 1462789467.35080504 Initialization (6065.63038s) started
T25 << 1462789467.35095596 Initialization (6065.63053s) stopped
T25 >> 1462789467.35110688 Initialization (6065.63054s) started
T25 << 1462789467.35125709 Initialization (6065.63069s) stopped
T25 >> 1462789490.77957797 Initialization (6065.63071s) started
T25 >> 1462789490.92467308 Basic WFS set positions (6.60997s) started
T25 >> 1462789490.92469907 Redistribute (0.29512s) started
T25 << 1462789490.92484498 Redistribute (0.29527s) stopped
T25 << 1462789491.09778190 Basic WFS set positions (6.78308s) stopped
T25 >> 1462789491.09784198 Basis functions set positions (96.37282s) started
T25 << 1462789493.33038092 Basis functions set positions (98.60536s) stopped
T25 >> 1462789493.33691192 TCI: Calculate S, T, P (1190.12664s) started
T25 << 1462789521.95622897 TCI: Calculate S, T, P (1218.74595s) stopped
T25 >> 1462789521.95634198 blocked summation (1305.88005s) started
T25 << 1462789559.45829105 blocked summation (1343.38200s) stopped
T25 >> 1462789559.47951698 Scalapack redistribute (13.42091s) started
T25 << 1462789559.59067607 Scalapack redistribute (13.53207s) stopped
T25 >> 1462789559.59148002 blocked summation (1343.38204s) started
T25 << 1462789560.93772292 blocked summation (1344.72828s) stopped
T25 >> 1462789560.94694901 Scalapack redistribute (13.53212s) started
T25 << 1462789561.03810310 Scalapack redistribute (13.62328s) stopped
T25 >> 1462789561.04158998 Redistribute (0.85017s) started
T25 << 1462789561.04283810 Redistribute (0.85142s) stopped
T25 >> 1462789563.00922394 Redistribute (0.85144s) started
T25 << 1462789563.01053500 Redistribute (0.85275s) stopped
T25 >> 1462789563.04711509 LCAO WFS Initialize (3340.63198s) started
T25 >> 1462789563.04714108 Density initialize from wavefunctions (666.33055s) started
T25 >> 1462789563.05015707 Calculate density matrix (453.27875s) started
T25 << 1462789573.04489803 Calculate density matrix (463.27350s) stopped
T25 >> 1462789573.04495907 Construct density (73.94686s) started
T25 << 1462789574.70787311 Construct density (75.60977s) stopped
T25 >> 1462789574.72122097 Symmetrize density (0.00351s) started
T25 << 1462789574.72128606 Symmetrize density (0.00357s) stopped
T25 << 1462789577.84324908 Density initialize from wavefunctions (681.12665s) stopped
T25 >> 1462789577.84435701 Hamiltonian (2673.24897s) started
T25 >> 1462789577.84438896 vbar (1.15562s) started
T25 << 1462789577.87500501 vbar (1.18623s) stopped
T25 >> 1462789577.87513590 XC 3D grid (1382.21062s) started
T25 >> 1462789578.47651410 van der Waals (1336.28224s) started
T25 >> 1462789578.61070704 semilocal (308.47900s) started
T25 << 1462789585.79607797 semilocal (315.66437s) stopped
T25 >> 1462789585.86071301 redistribute (139.65304s) started
T25 << 1462789586.83915806 redistribute (140.63149s) stopped
T25 >> 1462789586.83926797 libvdwxc nonlocal (878.78918s) started
T25 << 1462789605.75850201 libvdwxc nonlocal (897.70842s) stopped
T25 >> 1462789605.75857210 redistribute (140.63152s) started
T25 << 1462789607.73432803 redistribute (142.60728s) stopped
T25 << 1462789607.73573089 van der Waals (1365.54146s) stopped
T25 << 1462789608.22306609 XC 3D grid (1412.55855s) stopped
T25 >> 1462789608.22311401 Poisson (615.20685s) started
T25 << 1462789618.57341099 Poisson (625.55715s) stopped
T25 >> 1462789618.57350612 Hartree integrate/restrict (18.31194s) started
T25 << 1462789618.61150002 Hartree integrate/restrict (18.34993s) stopped
T25 >> 1462789618.61163402 Hartree integrate/restrict (18.35003s) started
T25 << 1462789618.96313691 Hartree integrate/restrict (18.70153s) stopped
T25 >> 1462789619.02483296 Atomic (630.43088s) started
T25 >> 1462789619.04886293 XC Correction (454.56799s) started
T25 << 1462789631.15445709 XC Correction (466.67359s) stopped
T25 << 1462789637.10673904 Atomic (648.51279s) stopped
T25 >> 1462789637.10719800 Communicate (23.12849s) started
T25 << 1462789637.10732388 Communicate (23.12862s) stopped
T25 << 1462789637.10734797 Hamiltonian (2732.51196s) stopped
T25 << 1462789637.10741210 LCAO WFS Initialize (3414.69227s) stopped
T25 << 1462789637.12004304 Initialization (6211.97118s) stopped
T25 >> 1462789637.15081191 SCF-cycle (82185.27356s) started
T25 >> 1462789637.15087199 LCAO eigensolver (26219.83872s) started
T25 >> 1462789637.15088606 Potential matrix (875.34179s) started
T25 << 1462789639.57696605 Potential matrix (877.76787s) stopped
T25 >> 1462789639.57706594 DistributedAtomicCorrection (372.73534s) started
T25 << 1462789640.67446303 DistributedAtomicCorrection (373.83274s) stopped
T25 >> 1462789640.67456603 Distribute overlap matrix (2057.75141s) started
T25 >> 1462789640.67459202 blocked summation (2013.33907s) started
T25 << 1462789646.49441409 blocked summation (2019.15889s) stopped
T25 >> 1462789646.50375605 Scalapack redistribute (40.92044s) started
T25 << 1462789646.60406208 Scalapack redistribute (41.02075s) stopped
T25 << 1462789646.60413599 Distribute overlap matrix (2063.68098s) stopped
T25 >> 1462789646.60849690 Blacs Orbital Layouts (21117.77641s) started
T25 >> 1462789646.61705494 General diagonalize (21029.53191s) started
T25 << 1462789705.75954390 General diagonalize (21088.67440s) stopped
T25 >> 1462789705.75959492 Redistribute coefs (7.27935s) started
T25 << 1462789705.77627492 Redistribute coefs (7.29603s) stopped
T25 >> 1462789705.77632189 Send coefs to domains (77.71271s) started
T25 << 1462789706.04212499 Send coefs to domains (77.97852s) stopped
T25 << 1462789706.04276705 Blacs Orbital Layouts (21177.21068s) stopped
T25 >> 1462789706.04285407 Calculate projections (1794.09959s) started
T25 << 1462789710.98623204 Calculate projections (1799.04297s) stopped
T25 << 1462789710.98662591 LCAO eigensolver (26293.67447s) stopped
T25 >> 1462789712.02577710 Density (5591.40753s) started
T25 >> 1462789712.02579308 Pseudo density (4573.24271s) started
T25 >> 1462789712.02732205 Calculate density matrix (4034.55534s) started
T25 << 1462789725.11718893 Calculate density matrix (4047.64521s) stopped
T25 >> 1462789725.11724496 Construct density (525.16384s) started
T25 << 1462789726.77229595 Construct density (526.81889s) stopped
T25 >> 1462789726.78665090 Symmetrize density (0.02530s) started
T25 << 1462789726.78670692 Symmetrize density (0.02536s) stopped
T25 << 1462789726.78908992 Pseudo density (4588.00601s) stopped
T25 >> 1462789726.78914905 Atomic density matrices (848.19624s) started
T25 << 1462789729.47524905 Atomic density matrices (850.88234s) stopped
T25 >> 1462789729.47529888 Multipole moments (3.26218s) started
T25 << 1462789729.48754501 Multipole moments (3.27443s) stopped
T25 >> 1462789729.48760891 Normalize (2.67665s) started
T25 << 1462789729.50086808 Normalize (2.68991s) stopped
T25 >> 1462789729.50094199 Mix (163.99096s) started
T25 << 1462789729.96975088 Mix (164.45977s) stopped
T25 << 1462789729.96979809 Density (5609.35155s) stopped
T25 >> 1462789729.97003293 Hamiltonian (49882.10625s) started
T25 >> 1462789729.97005105 vbar (8.82442s) started
T25 << 1462789729.99263000 vbar (8.84700s) stopped
T25 >> 1462789729.99274707 XC 3D grid (43224.44023s) started
T25 >> 1462789730.59460998 van der Waals (42904.80555s) started
T25 >> 1462789730.72758794 semilocal (32577.19848s) started
T25 << 1462789737.30628204 semilocal (32583.77717s) stopped
T25 >> 1462789737.36882091 redistribute (4136.59607s) started
T25 << 1462789738.62442088 redistribute (4137.85167s) stopped
T25 >> 1462789738.62453604 libvdwxc nonlocal (6122.99350s) started
T25 << 1462789758.11735892 libvdwxc nonlocal (6142.48632s) stopped
T25 >> 1462789758.11741996 redistribute (4137.85170s) started
T25 << 1462789759.74805093 redistribute (4139.48233s) stopped
T25 << 1462789759.74959707 van der Waals (42933.96053s) stopped
T25 << 1462789760.25294089 XC 3D grid (43254.70042s) stopped
T25 >> 1462789760.25298500 Poisson (2393.48847s) started
T25 << 1462789764.90815997 Poisson (2398.14365s) stopped
T25 >> 1462789764.90823507 Hartree integrate/restrict (124.92049s) started
T25 << 1462789764.97227597 Hartree integrate/restrict (124.98453s) stopped
T25 >> 1462789764.97233510 Hartree integrate/restrict (124.98457s) started
T25 << 1462789765.29138589 Hartree integrate/restrict (125.30362s) stopped
T25 >> 1462789765.35064101 Atomic (3724.73471s) started
T25 >> 1462789765.37430906 XC Correction (2776.65436s) started
T25 << 1462789777.09476590 XC Correction (2788.37482s) stopped
T25 << 1462789783.46805191 Atomic (3742.85213s) stopped
T25 >> 1462789783.46839690 Communicate (386.90391s) started
T25 << 1462789783.46851397 Communicate (386.90403s) stopped
T25 << 1462789783.46853805 Hamiltonian (49935.60475s) stopped
T25 >> 1462789783.46863890 LCAO eigensolver (26293.67449s) started
T25 >> 1462789783.46865392 Potential matrix (877.76793s) started
T25 << 1462789785.89208388 Potential matrix (880.19136s) stopped
T25 >> 1462789785.89217091 DistributedAtomicCorrection (373.83278s) started
T25 << 1462789787.00322104 DistributedAtomicCorrection (374.94383s) stopped
T25 >> 1462789787.00331593 Distribute overlap matrix (2063.68099s) started
T25 >> 1462789787.00334001 blocked summation (2019.15892s) started
T25 << 1462789792.94638205 blocked summation (2025.10197s) stopped
T25 >> 1462789792.95586705 Scalapack redistribute (41.02080s) started
T25 << 1462789793.06278300 Scalapack redistribute (41.12772s) stopped
T25 << 1462789793.06286693 Distribute overlap matrix (2069.74054s) stopped
T25 >> 1462789793.06841493 Blacs Orbital Layouts (21177.21076s) started
T25 >> 1462789793.07656193 General diagonalize (21088.67444s) started
T25 << 1462789850.60020089 General diagonalize (21146.19808s) stopped
T25 >> 1462789850.60025096 Redistribute coefs (7.29606s) started
T25 << 1462789850.61675191 Redistribute coefs (7.31256s) stopped
T25 >> 1462789850.61679602 Send coefs to domains (77.97855s) started
T25 << 1462789850.89679003 Send coefs to domains (78.25855s) stopped
T25 << 1462789850.89742899 Blacs Orbital Layouts (21235.03977s) stopped
T25 >> 1462789850.89745903 Calculate projections (1799.04302s) started
T25 << 1462789855.83755112 Calculate projections (1803.98311s) stopped
T25 << 1462789855.83790588 LCAO eigensolver (26366.04376s) stopped
T25 >> 1462789857.18574595 Density (5609.35156s) started
T25 >> 1462789857.18576097 Pseudo density (4588.00605s) started
T25 >> 1462789857.18733096 Calculate density matrix (4047.64524s) started
T25 << 1462789870.20843410 Calculate density matrix (4060.66635s) stopped
T25 >> 1462789870.20849609 Construct density (526.81894s) started
T25 << 1462789871.86126709 Construct density (528.47171s) stopped
T25 >> 1462789871.87569690 Symmetrize density (0.02537s) started
T25 << 1462789871.87575507 Symmetrize density (0.02543s) stopped
T25 << 1462789871.87809992 Pseudo density (4602.69839s) stopped
T25 >> 1462789871.87815404 Atomic density matrices (850.88237s) started
T25 << 1462789874.55093789 Atomic density matrices (853.55515s) stopped
T25 >> 1462789874.55099010 Multipole moments (3.27444s) started
T25 << 1462789874.56295991 Multipole moments (3.28641s) stopped
T25 >> 1462789874.56302595 Normalize (2.68996s) started
T25 << 1462789874.57552600 Normalize (2.70246s) stopped
T25 >> 1462789874.57559800 Mix (164.45982s) started
T25 << 1462789875.08810806 Mix (164.97233s) stopped
T25 << 1462789875.08821988 Density (5627.25404s) stopped
T25 >> 1462789875.08861494 Hamiltonian (49935.60477s) started
T25 >> 1462789875.08864093 vbar (8.84706s) started
T25 << 1462789875.11492109 vbar (8.87334s) stopped
T25 >> 1462789875.11504793 XC 3D grid (43254.70045s) started
T25 >> 1462789875.60526109 van der Waals (42933.96058s) started
T25 >> 1462789875.74060106 semilocal (32583.77727s) started
T25 << 1462789882.44615602 semilocal (32590.48282s) stopped
T25 >> 1462789882.50702095 redistribute (4139.48238s) started
T25 << 1462789883.73276305 redistribute (4140.70812s) stopped
T25 >> 1462789883.73288012 libvdwxc nonlocal (6142.48637s) started
T25 << 1462789903.21567893 libvdwxc nonlocal (6161.96916s) stopped
T25 >> 1462789903.21572208 redistribute (4140.70815s) started
T25 << 1462789904.85144591 redistribute (4142.34388s) stopped
T25 << 1462789904.85353804 van der Waals (42963.20885s) stopped
T25 << 1462789905.33886909 XC 3D grid (43284.92428s) stopped
T25 >> 1462789905.33891201 Poisson (2398.14370s) started
T25 << 1462789911.34324288 Poisson (2404.14803s) stopped
T25 >> 1462789911.34334493 Hartree integrate/restrict (125.30365s) started
T25 << 1462789911.38612890 Hartree integrate/restrict (125.34644s) stopped
T25 >> 1462789911.38626695 Hartree integrate/restrict (125.34654s) started
T25 << 1462789911.73693895 Hartree integrate/restrict (125.69721s) stopped
T25 >> 1462789911.79588199 Atomic (3742.85215s) started
T25 >> 1462789911.81922412 XC Correction (2788.37485s) started
T25 << 1462789923.19653893 XC Correction (2799.75216s) stopped
T25 << 1462789929.61910796 Atomic (3760.67537s) stopped
T25 >> 1462789929.61943197 Communicate (386.90404s) started
T25 << 1462789929.61954498 Communicate (386.90416s) stopped
T25 << 1462789929.61956692 Hamiltonian (49990.13572s) stopped
T25 >> 1462789929.61967111 LCAO eigensolver (26366.04378s) started
T25 >> 1462789929.61968493 Potential matrix (880.19141s) started
T25 << 1462789932.01780009 Potential matrix (882.58953s) stopped
T25 >> 1462789932.01788902 DistributedAtomicCorrection (374.94387s) started
T25 << 1462789933.11260891 DistributedAtomicCorrection (376.03859s) stopped
T25 >> 1462789933.11270404 Distribute overlap matrix (2069.74055s) started
T25 >> 1462789933.11272812 blocked summation (2025.10200s) started
T25 << 1462789939.10848689 blocked summation (2031.09776s) stopped
T25 >> 1462789939.11811399 Scalapack redistribute (41.12778s) started
T25 << 1462789939.24247408 Scalapack redistribute (41.25214s) stopped
T25 << 1462789939.24266791 Distribute overlap matrix (2075.87052s) stopped
T25 >> 1462789939.24936795 Blacs Orbital Layouts (21235.03979s) started
T25 >> 1462789939.25801992 General diagonalize (21146.19812s) started
T25 << 1462789998.85079789 General diagonalize (21205.79090s) stopped
T25 >> 1462789998.85084891 Redistribute coefs (7.31260s) started
T25 << 1462789998.86664796 Redistribute coefs (7.32840s) stopped
T25 >> 1462789998.86669207 Send coefs to domains (78.25859s) started
T25 << 1462789999.04500699 Send coefs to domains (78.43690s) stopped
T25 << 1462789999.04566407 Blacs Orbital Layouts (21294.83609s) stopped
T25 >> 1462789999.04569197 Calculate projections (1803.98316s) started
T25 << 1462790003.97247291 Calculate projections (1808.90994s) stopped
T25 << 1462790003.97283006 LCAO eigensolver (26440.39694s) stopped
T25 >> 1462790005.10030103 Density (5627.25406s) started
T25 >> 1462790005.10031605 Pseudo density (4602.69843s) started
T25 >> 1462790005.10193300 Calculate density matrix (4060.66639s) started
T25 << 1462790018.26261997 Calculate density matrix (4073.82708s) stopped
T25 >> 1462790018.26271391 Construct density (528.47176s) started
T25 << 1462790019.91319299 Construct density (530.12224s) stopped
T25 >> 1462790019.92753792 Symmetrize density (0.02545s) started
T25 << 1462790019.92759490 Symmetrize density (0.02550s) stopped
T25 << 1462790019.92991209 Pseudo density (4617.52803s) stopped
T25 >> 1462790019.92996502 Atomic density matrices (853.55518s) started
T25 << 1462790022.64605904 Atomic density matrices (856.27127s) stopped
T25 >> 1462790022.64611292 Multipole moments (3.28643s) started
T25 << 1462790022.65782809 Multipole moments (3.29815s) stopped
T25 >> 1462790022.65789008 Normalize (2.70251s) started
T25 << 1462790022.67023396 Normalize (2.71486s) stopped
T25 >> 1462790022.67035508 Mix (164.97244s) started
T25 << 1462790023.16592002 Mix (165.46800s) stopped
T25 << 1462790023.16600394 Density (5645.31976s) stopped
T25 >> 1462790023.16630411 Hamiltonian (49990.13573s) started
T25 >> 1462790023.16632199 vbar (8.87341s) started
T25 << 1462790023.19749999 vbar (8.90459s) stopped
T25 >> 1462790023.19764400 XC 3D grid (43284.92431s) started
T25 >> 1462790023.67971611 van der Waals (42963.20891s) started
T25 >> 1462790023.81170893 semilocal (32590.48287s) started
T25 << 1462790167.83000112 semilocal (32734.50116s) stopped
T25 >> 1462790167.91175008 redistribute (4142.34395s) started
T25 << 1462790170.57350802 redistribute (4145.00571s) stopped
T25 >> 1462790170.57362604 libvdwxc nonlocal (6161.96920s) started
T25 << 1462790190.14186096 libvdwxc nonlocal (6181.53743s) stopped
T25 >> 1462790190.14191389 redistribute (4145.00574s) started
T25 << 1462790191.79526401 redistribute (4146.65909s) stopped
T25 << 1462790191.79678798 van der Waals (43131.32598s) stopped
T25 << 1462790192.29113507 XC 3D grid (43454.01780s) stopped
T25 >> 1462790192.29118705 Poisson (2404.14810s) started
T25 << 1462790198.21524310 Poisson (2410.07216s) stopped
T25 >> 1462790198.21535611 Hartree integrate/restrict (125.69725s) started
T25 << 1462790198.27847791 Hartree integrate/restrict (125.76037s) stopped
T25 >> 1462790198.27857208 Hartree integrate/restrict (125.76044s) started
T25 << 1462790198.62295604 Hartree integrate/restrict (126.10482s) stopped
T25 >> 1462790198.68187094 Atomic (3760.67540s) started
T25 >> 1462790198.70516300 XC Correction (2799.75219s) started
T25 << 1462790210.05397892 XC Correction (2811.10101s) stopped
T25 << 1462790215.72804809 Atomic (3777.72157s) stopped
T25 >> 1462790215.72837901 Communicate (386.90417s) started
T25 << 1462790215.72849798 Communicate (386.90429s) stopped
T25 << 1462790215.72852111 Hamiltonian (50182.69795s) stopped
T25 >> 1462790215.72862411 LCAO eigensolver (26440.39696s) started
T25 >> 1462790215.72864008 Potential matrix (882.58958s) started
T25 << 1462790218.15583706 Potential matrix (885.01678s) stopped
T25 >> 1462790218.15592504 DistributedAtomicCorrection (376.03862s) started
T25 << 1462790219.25768590 DistributedAtomicCorrection (377.14038s) stopped
T25 >> 1462790219.25778008 Distribute overlap matrix (2075.87053s) started
T25 >> 1462790219.25780392 blocked summation (2031.09779s) started
T25 << 1462790225.26201510 blocked summation (2037.10200s) stopped
T25 >> 1462790225.27152109 Scalapack redistribute (41.25229s) started
T25 << 1462790225.38887906 Scalapack redistribute (41.36964s) stopped
T25 << 1462790225.38898611 Distribute overlap matrix (2082.00174s) stopped
T25 >> 1462790225.39508510 Blacs Orbital Layouts (21294.83611s) started
T25 >> 1462790225.40329599 General diagonalize (21205.79094s) started
T25 << 1462790281.38992190 General diagonalize (21261.77757s) stopped
T25 >> 1462790281.38997006 Redistribute coefs (7.32843s) started
T25 << 1462790281.41396189 Redistribute coefs (7.35243s) stopped
T25 >> 1462790281.41400599 Send coefs to domains (78.43695s) started
T25 << 1462790281.96749496 Send coefs to domains (78.99044s) stopped
T25 << 1462790281.96801209 Blacs Orbital Layouts (21351.40903s) stopped
T25 >> 1462790281.96804190 Calculate projections (1808.90999s) started
T25 << 1462790286.90054798 Calculate projections (1813.84250s) stopped
T25 << 1462790286.90088892 LCAO eigensolver (26511.56922s) stopped
T25 >> 1462790287.92155099 Density (5645.31977s) started
T25 >> 1462790287.92156601 Pseudo density (4617.52807s) started
T25 >> 1462790287.92354703 Calculate density matrix (4073.82712s) started
T25 << 1462790300.96107602 Calculate density matrix (4086.86465s) stopped
T25 >> 1462790300.96113300 Construct density (530.12229s) started
T25 << 1462790302.61540294 Construct density (531.77656s) stopped
T25 >> 1462790302.62932491 Symmetrize density (0.02552s) started
T25 << 1462790302.62938309 Symmetrize density (0.02558s) stopped
T25 << 1462790302.63174701 Pseudo density (4632.23825s) stopped
T25 >> 1462790302.63180399 Atomic density matrices (856.27130s) started
T25 << 1462790305.33749104 Atomic density matrices (858.97698s) stopped
T25 >> 1462790305.33754301 Multipole moments (3.29816s) started
T25 << 1462790305.35130501 Multipole moments (3.31192s) stopped
T25 >> 1462790305.35136890 Normalize (2.71495s) started
T25 << 1462790305.36452889 Normalize (2.72811s) stopped
T25 >> 1462790305.36462998 Mix (165.46808s) started
T25 << 1462790305.93073392 Mix (166.03419s) stopped
T25 << 1462790305.93083906 Density (5663.32906s) stopped
T25 >> 1462790305.93119097 Hamiltonian (50182.69796s) started
T25 >> 1462790305.93121505 vbar (8.90467s) started
T25 << 1462790305.95143795 vbar (8.92489s) stopped
T25 >> 1462790305.95152712 XC 3D grid (43454.01784s) started
T25 >> 1462790306.45098591 van der Waals (43131.32603s) started
T25 >> 1462790306.58512712 semilocal (32734.50126s) started
T25 << 1462790532.15489006 semilocal (32960.07102s) stopped
T25 >> 1462790532.23625493 redistribute (4146.65915s) started
T25 << 1462790533.32311702 redistribute (4147.74601s) stopped
T25 >> 1462790533.32323289 libvdwxc nonlocal (6181.53747s) started
T25 << 1462790552.60695410 libvdwxc nonlocal (6200.82119s) stopped
T25 >> 1462790552.60701990 redistribute (4147.74604s) started
T25 << 1462790554.40006089 redistribute (4149.53908s) stopped
T25 << 1462790554.40178704 van der Waals (43379.27683s) stopped
T25 << 1462790554.89861989 XC 3D grid (43702.96494s) stopped
T25 >> 1462790554.89867592 Poisson (2410.07225s) started
T25 << 1462790559.26606107 Poisson (2414.43963s) stopped
T25 >> 1462790559.26617503 Hartree integrate/restrict (126.10487s) started
T25 << 1462790559.31447101 Hartree integrate/restrict (126.15317s) stopped
T25 >> 1462790559.31454110 Hartree integrate/restrict (126.15321s) started
T25 << 1462790559.64731312 Hartree integrate/restrict (126.48599s) stopped
T25 >> 1462790559.70607901 Atomic (3777.72160s) started
T25 >> 1462790559.72971296 XC Correction (2811.10103s) started
T25 << 1462790571.17991209 XC Correction (2822.55123s) stopped
T25 << 1462790576.44778609 Atomic (3794.46331s) stopped
T25 >> 1462790576.44813490 Communicate (386.90430s) started
T25 << 1462790576.44853902 Communicate (386.90471s) stopped
T25 << 1462790576.44856095 Hamiltonian (50453.21533s) stopped
T25 >> 1462790576.44868493 LCAO eigensolver (26511.56924s) started
T25 >> 1462790576.44869995 Potential matrix (885.01683s) started
T25 << 1462790578.87161398 Potential matrix (887.43974s) stopped
T25 >> 1462790578.87170196 DistributedAtomicCorrection (377.14042s) started
T25 << 1462790580.00118303 DistributedAtomicCorrection (378.26990s) stopped
T25 >> 1462790580.00127912 Distribute overlap matrix (2082.00175s) started
T25 >> 1462790580.00130200 blocked summation (2037.10204s) started
T25 << 1462790585.90595293 blocked summation (2043.00669s) stopped
T25 >> 1462790585.91523600 Scalapack redistribute (41.36971s) started
T25 << 1462790586.04196906 Scalapack redistribute (41.49644s) stopped
T25 << 1462790586.04205799 Distribute overlap matrix (2088.04253s) stopped
T25 >> 1462790586.04793000 Blacs Orbital Layouts (21351.40905s) started
T25 >> 1462790586.05577302 General diagonalize (21261.77760s) started
T25 << 1462790644.80800200 General diagonalize (21320.52983s) stopped
T25 >> 1462790644.80805612 Redistribute coefs (7.35247s) started
T25 << 1462790644.83490896 Redistribute coefs (7.37932s) stopped
T25 >> 1462790644.83494902 Send coefs to domains (78.99049s) started
T25 << 1462790645.28434896 Send coefs to domains (79.43989s) stopped
T25 << 1462790645.28494096 Blacs Orbital Layouts (21410.64606s) stopped
T25 >> 1462790645.28497195 Calculate projections (1813.84255s) started
T25 << 1462790650.22031093 Calculate projections (1818.77788s) stopped
T25 << 1462790650.22050309 LCAO eigensolver (26585.34106s) stopped
T25 << 1462790651.27663708 SCF-cycle (83199.39939s) stopped
T25 >> 1462790654.41346908 Force calculation (4013.66903s) started
T25 >> 1462790654.41353989 LCAO forces (3603.76776s) started
T25 >> 1462790654.41390991 Initial (0.00102s) started
T25 << 1462790654.41392112 Initial (0.00103s) stopped
T25 >> 1462790654.42037606 Get density matrix (1680.95714s) started
T25 << 1462790663.77889299 Get density matrix (1690.31566s) stopped
T25 >> 1462790663.77893901 Potential (572.83311s) started
T25 << 1462790676.27489305 Potential (585.32906s) stopped
T25 >> 1462790676.27494693 Get density matrix (1690.31570s) started
T25 << 1462790703.58368993 Get density matrix (1717.62444s) stopped
T25 >> 1462790703.58375597 Prepare TCI loop (114.74965s) started
T25 >> 1462790703.58429694 Get neighbors (102.86478s) started
T25 << 1462790705.81605101 Get neighbors (105.09653s) stopped
T25 >> 1462790705.81728792 broadcast dH (11.82497s) started
T25 << 1462790706.19448209 broadcast dH (12.20217s) stopped
T25 << 1462790706.19453096 Prepare TCI loop (117.36042s) stopped
T25 >> 1462790706.19455004 Not so complicated loop (483.46496s) started
T25 << 1462790716.83556604 Not so complicated loop (494.10598s) stopped
T25 >> 1462790716.95306897 Complicated loop (745.80051s) started
T25 << 1462790733.30441499 Complicated loop (762.15186s) stopped
T25 >> 1462790733.30782294 Wait for sum (0.00489s) started
T25 << 1462790733.30790901 Wait for sum (0.00498s) stopped
T25 << 1462790733.30792403 LCAO forces (3682.66214s) stopped
T25 << 1462790742.46916604 Force calculation (4101.72473s) stopped
T25 >> 1462790742.49000692 Initialization (6211.97119s) started
T25 << 1462790742.49020600 Initialization (6211.97139s) stopped
T25 >> 1462790742.49056506 Initialization (6211.97141s) started
T25 << 1462790742.49072003 Initialization (6211.97156s) stopped
T25 >> 1462790742.49086595 Initialization (6211.97158s) started
T25 << 1462790742.49102998 Initialization (6211.97174s) stopped
T25 >> 1462790765.88832903 Initialization (6211.97176s) started
T25 >> 1462790765.99230599 Basic WFS set positions (6.78312s) started
T25 >> 1462790765.99233007 Redistribute (0.29528s) started
T25 << 1462790765.99246597 Redistribute (0.29542s) stopped
T25 << 1462790766.16297698 Basic WFS set positions (6.95379s) stopped
T25 >> 1462790766.16303706 Basis functions set positions (98.60540s) started
T25 << 1462790768.41404510 Basis functions set positions (100.85640s) stopped
T25 >> 1462790768.42209601 TCI: Calculate S, T, P (1218.74599s) started
T25 << 1462790796.70832300 TCI: Calculate S, T, P (1247.03222s) stopped
T25 >> 1462790796.70842505 blocked summation (1344.72832s) started
T25 << 1462790834.02670002 blocked summation (1382.04659s) stopped
T25 >> 1462790834.04778409 Scalapack redistribute (13.62332s) started
T25 << 1462790834.15567207 Scalapack redistribute (13.73120s) stopped
T25 >> 1462790834.15660906 blocked summation (1382.04664s) started
T25 << 1462790835.49990606 blocked summation (1383.38993s) stopped
T25 >> 1462790835.50910497 Scalapack redistribute (13.73125s) started
T25 << 1462790835.61578202 Scalapack redistribute (13.83793s) stopped
T25 >> 1462790835.61820006 Redistribute (0.85278s) started
T25 << 1462790835.61943412 Redistribute (0.85402s) stopped
T25 >> 1462790837.76551604 Redistribute (0.85403s) started
T25 << 1462790837.76704693 Redistribute (0.85557s) stopped
T25 >> 1462790837.78903198 LCAO WFS Initialize (3414.69230s) started
T25 >> 1462790837.78909111 Density initialize from wavefunctions (681.12676s) started
T25 >> 1462790837.79371500 Calculate density matrix (463.27353s) started
T25 << 1462790847.78055596 Calculate density matrix (473.26038s) stopped
T25 >> 1462790847.78061795 Construct density (75.60983s) started
T25 << 1462790849.42755890 Construct density (77.25677s) stopped
T25 >> 1462790849.44035697 Symmetrize density (0.00359s) started
T25 << 1462790849.44041705 Symmetrize density (0.00365s) stopped
T25 << 1462790852.57953405 Density initialize from wavefunctions (695.91720s) stopped
T25 >> 1462790852.58065391 Hamiltonian (2732.51198s) started
T25 >> 1462790852.58072591 vbar (1.18630s) started
T25 << 1462790852.60331798 vbar (1.20889s) stopped
T25 >> 1462790852.60341191 XC 3D grid (1412.55858s) started
T25 >> 1462790853.07529092 van der Waals (1365.54153s) started
T25 >> 1462790853.21153307 semilocal (315.66443s) started
T25 << 1462790859.97077298 semilocal (322.42367s) stopped
T25 >> 1462790860.04196000 redistribute (142.60738s) started
T25 << 1462790861.44752097 redistribute (144.01294s) stopped
T25 >> 1462790861.44763803 libvdwxc nonlocal (897.70847s) started
T25 << 1462790880.59095311 libvdwxc nonlocal (916.85178s) stopped
T25 >> 1462790880.59103990 redistribute (144.01297s) started
T25 << 1462790882.27181911 redistribute (145.69375s) stopped
T25 << 1462790882.27321911 van der Waals (1394.73946s) stopped
T25 << 1462790882.75742602 XC 3D grid (1442.71260s) stopped
T25 >> 1462790882.75746989 Poisson (625.55722s) started
T25 << 1462790894.31311297 Poisson (637.11286s) stopped
T25 >> 1462790894.31319809 Hartree integrate/restrict (18.70160s) started
T25 << 1462790894.36913204 Hartree integrate/restrict (18.75753s) stopped
T25 >> 1462790894.36920691 Hartree integrate/restrict (18.75758s) started
T25 << 1462790894.68655992 Hartree integrate/restrict (19.07493s) stopped
T25 >> 1462790894.74789000 Atomic (648.51281s) started
T25 >> 1462790894.77124000 XC Correction (466.67361s) started
T25 << 1462790907.21327710 XC Correction (479.11565s) stopped
T25 << 1462790912.90617609 Atomic (666.67110s) stopped
T25 >> 1462790912.90661192 Communicate (23.12864s) started
T25 << 1462790912.90677500 Communicate (23.12880s) stopped
T25 << 1462790912.90679908 Hamiltonian (2792.83813s) stopped
T25 << 1462790912.90686011 LCAO WFS Initialize (3489.81012s) stopped
T25 << 1462790912.91956210 Initialization (6359.00299s) stopped
T25 >> 1462790912.95016289 SCF-cycle (83199.39941s) started
T25 >> 1462790912.95021701 LCAO eigensolver (26585.34108s) started
T25 >> 1462790912.95022988 Potential matrix (887.43979s) started
T25 << 1462790915.35448503 Potential matrix (889.84405s) stopped
T25 >> 1462790915.35456896 DistributedAtomicCorrection (378.26994s) started
T25 << 1462790916.45325303 DistributedAtomicCorrection (379.36862s) stopped
T25 >> 1462790916.45334792 Distribute overlap matrix (2088.04255s) started
T25 >> 1462790916.45337105 blocked summation (2043.00672s) started
T25 << 1462790922.39461493 blocked summation (2048.94797s) stopped
T25 >> 1462790922.40380096 Scalapack redistribute (41.49650s) started
T25 << 1462790922.50988293 Scalapack redistribute (41.60258s) stopped
T25 << 1462790922.50993705 Distribute overlap matrix (2094.09914s) stopped
T25 >> 1462790922.51512599 Blacs Orbital Layouts (21410.64609s) started
T25 >> 1462790922.52338099 General diagonalize (21320.52987s) started
T25 << 1462790982.27268004 General diagonalize (21380.27917s) stopped
T25 >> 1462790982.27273011 Redistribute coefs (7.37935s) started
T25 << 1462790982.29462290 Redistribute coefs (7.40124s) stopped
T25 >> 1462790982.29466105 Send coefs to domains (79.43994s) started
T25 << 1462790982.82200193 Send coefs to domains (79.96728s) stopped
T25 << 1462790982.82268906 Blacs Orbital Layouts (21470.95365s) stopped
T25 >> 1462790982.82272100 Calculate projections (1818.77794s) started
T25 << 1462790987.74310207 Calculate projections (1823.69832s) stopped
T25 << 1462790987.74346209 LCAO eigensolver (26660.13432s) stopped
T25 >> 1462790988.79267311 Density (5663.32908s) started
T25 >> 1462790988.79268789 Pseudo density (4632.23830s) started
T25 >> 1462790988.79399610 Calculate density matrix (4086.86468s) started
T25 << 1462791001.93259692 Calculate density matrix (4100.00328s) stopped
T25 >> 1462791001.93265390 Construct density (531.77661s) started
T25 << 1462791003.58515596 Construct density (533.42912s) stopped
T25 >> 1462791003.59855199 Symmetrize density (0.02560s) started
T25 << 1462791003.59861112 Symmetrize density (0.02566s) stopped
T25 << 1462791003.60070896 Pseudo density (4647.04632s) stopped
T25 >> 1462791003.60076690 Atomic density matrices (858.97701s) started
T25 << 1462791006.52478194 Atomic density matrices (861.90103s) stopped
T25 >> 1462791006.52483511 Multipole moments (3.31194s) started
T25 << 1462791006.53792500 Multipole moments (3.32503s) stopped
T25 >> 1462791006.53798890 Normalize (2.72819s) started
T25 << 1462791006.54495311 Normalize (2.73516s) stopped
T25 >> 1462791006.54500508 Mix (166.03429s) started
T25 << 1462791006.97300792 Mix (166.46229s) stopped
T25 << 1462791006.97305012 Density (5681.50946s) stopped
T25 >> 1462791006.97333598 Hamiltonian (50453.21536s) started
T25 >> 1462791006.97335505 vbar (8.92494s) started
T25 << 1462791007.00272703 vbar (8.95431s) stopped
T25 >> 1462791007.00285506 XC 3D grid (43702.96498s) started
T25 >> 1462791007.49392104 van der Waals (43379.27688s) started
T25 >> 1462791007.62741399 semilocal (32960.07111s) started
T25 << 1462791013.97422290 semilocal (32966.41792s) stopped
T25 >> 1462791014.08454800 redistribute (4149.53916s) started
T25 << 1462791015.78912711 redistribute (4151.24374s) stopped
T25 >> 1462791015.78924990 libvdwxc nonlocal (6200.82124s) started
T25 << 1462791035.33288288 libvdwxc nonlocal (6220.36487s) stopped
T25 >> 1462791035.33295202 redistribute (4151.24378s) started
T25 << 1462791037.00670505 redistribute (4152.91753s) stopped
T25 << 1462791037.00809693 van der Waals (43408.79105s) stopped
T25 << 1462791037.50883389 XC 3D grid (43733.47096s) stopped
T25 >> 1462791037.50887990 Poisson (2414.43972s) started
T25 << 1462791043.47769403 Poisson (2420.40854s) stopped
T25 >> 1462791043.47778201 Hartree integrate/restrict (126.48602s) started
T25 << 1462791043.51935101 Hartree integrate/restrict (126.52759s) stopped
T25 >> 1462791043.51950693 Hartree integrate/restrict (126.52770s) started
T25 << 1462791043.87928891 Hartree integrate/restrict (126.88748s) stopped
T25 >> 1462791043.93613505 Atomic (3794.46333s) started
T25 >> 1462791043.95960498 XC Correction (2822.55126s) started
T25 << 1462791056.25588012 XC Correction (2834.84753s) stopped
T25 << 1462791062.19270706 Atomic (3812.71990s) stopped
T25 >> 1462791062.19305396 Communicate (386.90472s) started
T25 << 1462791062.19317508 Communicate (386.90484s) stopped
T25 << 1462791062.19319892 Hamiltonian (50508.43522s) stopped
T25 >> 1462791062.19330311 LCAO eigensolver (26660.13434s) started
T25 >> 1462791062.19331789 Potential matrix (889.84410s) started
T25 << 1462791064.60914207 Potential matrix (892.25992s) stopped
T25 >> 1462791064.60920405 DistributedAtomicCorrection (379.36865s) started
T25 << 1462791065.69406199 DistributedAtomicCorrection (380.45351s) stopped
T25 >> 1462791065.69415808 Distribute overlap matrix (2094.09919s) started
T25 >> 1462791065.69418406 blocked summation (2048.94800s) started
T25 << 1462791071.76211500 blocked summation (2055.01593s) stopped
T25 >> 1462791071.77101994 Scalapack redistribute (41.60262s) started
T25 << 1462791071.87521696 Scalapack redistribute (41.70682s) stopped
T25 << 1462791071.87530804 Distribute overlap matrix (2100.28034s) stopped
T25 >> 1462791071.88007998 Blacs Orbital Layouts (21470.95367s) started
T25 >> 1462791071.88885093 General diagonalize (21380.27922s) started
T25 << 1462791130.83847594 General diagonalize (21439.22884s) stopped
T25 >> 1462791130.83852410 Redistribute coefs (7.40127s) started
T25 << 1462791130.85559797 Redistribute coefs (7.41834s) stopped
T25 >> 1462791130.85564590 Send coefs to domains (79.96732s) started
T25 << 1462791131.03951812 Send coefs to domains (80.15119s) stopped
T25 << 1462791131.04017901 Blacs Orbital Layouts (21530.11377s) stopped
T25 >> 1462791131.04022908 Calculate projections (1823.69837s) started
T25 << 1462791135.95491600 Calculate projections (1828.61306s) stopped
T25 << 1462791135.95513296 LCAO eigensolver (26733.89617s) stopped
T25 >> 1462791137.02856398 Density (5681.50947s) started
T25 >> 1462791137.02857900 Pseudo density (4647.04637s) started
T25 >> 1462791137.02978897 Calculate density matrix (4100.00332s) started
T25 << 1462791150.13263988 Calculate density matrix (4113.10617s) stopped
T25 >> 1462791150.13270092 Construct density (533.42917s) started
T25 << 1462791151.78021407 Construct density (535.07668s) stopped
T25 >> 1462791151.79278588 Symmetrize density (0.02568s) started
T25 << 1462791151.79284191 Symmetrize density (0.02573s) stopped
T25 << 1462791151.79492807 Pseudo density (4661.81272s) stopped
T25 >> 1462791151.79498100 Atomic density matrices (861.90105s) started
T25 << 1462791154.71203995 Atomic density matrices (864.81811s) stopped
T25 >> 1462791154.71209311 Multipole moments (3.32505s) started
T25 << 1462791154.72395396 Multipole moments (3.33691s) stopped
T25 >> 1462791154.72402406 Normalize (2.73520s) started
T25 << 1462791154.73077011 Normalize (2.74195s) stopped
T25 >> 1462791154.73082709 Mix (166.46233s) started
T25 << 1462791155.18441296 Mix (166.91592s) stopped
T25 << 1462791155.18452811 Density (5699.66543s) stopped
T25 >> 1462791155.18495703 Hamiltonian (50508.43524s) started
T25 >> 1462791155.18498302 vbar (8.95438s) started
T25 << 1462791155.21479702 vbar (8.98420s) stopped
T25 >> 1462791155.21489501 XC 3D grid (43733.47100s) started
T25 >> 1462791155.70682001 van der Waals (43408.79112s) started
T25 >> 1462791155.83938193 semilocal (32966.41804s) started
T25 << 1462791162.15960312 semilocal (32972.73826s) stopped
T25 >> 1462791162.25783896 redistribute (4152.91759s) started
T25 << 1462791178.30536008 redistribute (4168.96511s) stopped
T25 >> 1462791178.30548191 libvdwxc nonlocal (6220.36492s) started
T25 << 1462791199.00531793 libvdwxc nonlocal (6241.06476s) stopped
T25 >> 1462791199.00538397 redistribute (4168.96514s) started
T25 << 1462791200.63771796 redistribute (4170.59748s) stopped
T25 << 1462791200.63897491 van der Waals (43453.72328s) stopped
T25 << 1462791201.15018892 XC 3D grid (43779.40629s) stopped
T25 >> 1462791201.15023398 Poisson (2420.40860s) started
T25 << 1462791207.23413897 Poisson (2426.49250s) stopped
T25 >> 1462791207.23422599 Hartree integrate/restrict (126.88755s) started
T25 << 1462791207.27849889 Hartree integrate/restrict (126.93182s) stopped
T25 >> 1462791207.27856994 Hartree integrate/restrict (126.93186s) started
T25 << 1462791207.63590097 Hartree integrate/restrict (127.28919s) stopped
T25 >> 1462791207.69326901 Atomic (3812.71992s) started
T25 >> 1462791207.71657896 XC Correction (2834.84756s) started
T25 << 1462791219.54462194 XC Correction (2846.67561s) stopped
T25 << 1462791225.43706203 Atomic (3830.46372s) stopped
T25 >> 1462791225.43743205 Communicate (386.90486s) started
T25 << 1462791225.43754911 Communicate (386.90497s) stopped
T25 << 1462791225.43757296 Hamiltonian (50578.68785s) stopped
T25 >> 1462791225.43767595 LCAO eigensolver (26733.89619s) started
T25 >> 1462791225.43770695 Potential matrix (892.25995s) started
T25 << 1462791227.85759807 Potential matrix (894.67984s) stopped
T25 >> 1462791227.85768604 DistributedAtomicCorrection (380.45355s) started
T25 << 1462791228.94767499 DistributedAtomicCorrection (381.54354s) stopped
T25 >> 1462791228.94777107 Distribute overlap matrix (2100.28035s) started
T25 >> 1462791228.94779706 blocked summation (2055.01596s) started
T25 << 1462791234.90629005 blocked summation (2060.97446s) stopped
T25 >> 1462791234.91497207 Scalapack redistribute (41.70688s) started
T25 << 1462791235.04106307 Scalapack redistribute (41.83297s) stopped
T25 << 1462791235.04116607 Distribute overlap matrix (2106.37375s) stopped
T25 >> 1462791235.04710793 Blacs Orbital Layouts (21530.11379s) started
T25 >> 1462791235.05539894 General diagonalize (21439.22888s) started
T25 << 1462791295.56373310 General diagonalize (21499.73721s) stopped
T25 >> 1462791295.56381106 Redistribute coefs (7.41838s) started
T25 << 1462791295.59180307 Redistribute coefs (7.44637s) stopped
T25 >> 1462791295.59184194 Send coefs to domains (80.15124s) started
T25 << 1462791296.01880288 Send coefs to domains (80.57820s) stopped
T25 << 1462791296.01935101 Blacs Orbital Layouts (21591.08603s) stopped
T25 >> 1462791296.01939201 Calculate projections (1828.61311s) started
T25 << 1462791300.99569893 Calculate projections (1833.58942s) stopped
T25 << 1462791300.99588394 LCAO eigensolver (26809.45440s) stopped
T25 >> 1462791302.00930810 Density (5699.66545s) started
T25 >> 1462791302.00932288 Pseudo density (4661.81276s) started
T25 >> 1462791302.01129007 Calculate density matrix (4113.10622s) started
T25 << 1462791315.07476497 Calculate density matrix (4126.16969s) stopped
T25 >> 1462791315.07482100 Construct density (535.07673s) started
T25 << 1462791316.72070789 Construct density (536.72262s) stopped
T25 >> 1462791316.73477507 Symmetrize density (0.02575s) started
T25 << 1462791316.73483801 Symmetrize density (0.02582s) stopped
T25 << 1462791316.73720503 Pseudo density (4676.54064s) stopped
T25 >> 1462791316.73726392 Atomic density matrices (864.81814s) started
T25 << 1462791319.66900897 Atomic density matrices (867.74988s) stopped
T25 >> 1462791319.66906190 Multipole moments (3.33693s) started
T25 << 1462791319.68097591 Multipole moments (3.34884s) stopped
T25 >> 1462791319.68104291 Normalize (2.74198s) started
T25 << 1462791319.69012904 Normalize (2.75107s) stopped
T25 >> 1462791319.69021010 Mix (166.91603s) started
T25 << 1462791320.17621398 Mix (167.40203s) stopped
T25 << 1462791320.17630410 Density (5717.83245s) stopped
T25 >> 1462791320.17660689 Hamiltonian (50578.68786s) started
T25 >> 1462791320.17663097 vbar (8.98425s) started
T25 << 1462791320.20663905 vbar (9.01426s) stopped
T25 >> 1462791320.20678902 XC 3D grid (43779.40633s) started
T25 >> 1462791320.70946193 van der Waals (43453.72335s) started
T25 >> 1462791320.84243298 semilocal (32972.73837s) started
T25 << 1462791490.13340092 semilocal (33142.02934s) stopped
T25 >> 1462791490.19733000 redistribute (4170.59752s) started
T25 << 1462791491.65450597 redistribute (4172.05470s) stopped
T25 >> 1462791491.65462804 libvdwxc nonlocal (6241.06481s) started
T25 << 1462791510.47213411 libvdwxc nonlocal (6259.88232s) stopped
T25 >> 1462791510.47220302 redistribute (4172.05473s) started
T25 << 1462791512.43571305 redistribute (4174.01824s) stopped
T25 << 1462791512.43725991 van der Waals (43645.45115s) stopped
T25 << 1462791512.93877912 XC 3D grid (43972.13832s) stopped
T25 >> 1462791512.93882394 Poisson (2426.49256s) started
T25 << 1462791518.73182607 Poisson (2432.28557s) stopped
T25 >> 1462791518.73197103 Hartree integrate/restrict (127.28923s) started
T25 << 1462791518.77170300 Hartree integrate/restrict (127.32896s) stopped
T25 >> 1462791518.77184200 Hartree integrate/restrict (127.32905s) started
T25 << 1462791519.12531209 Hartree integrate/restrict (127.68252s) stopped
T25 >> 1462791519.18744206 Atomic (3830.46374s) started
T25 >> 1462791519.21071911 XC Correction (2846.67564s) started
T25 << 1462791530.89264011 XC Correction (2858.35756s) stopped
T25 << 1462791536.17883396 Atomic (3847.45513s) stopped
T25 >> 1462791536.17917991 Communicate (386.90499s) started
T25 << 1462791536.17929792 Communicate (386.90511s) stopped
T25 << 1462791536.17932200 Hamiltonian (50794.69058s) stopped
T25 >> 1462791536.17942500 LCAO eigensolver (26809.45441s) started
T25 >> 1462791536.17944098 Potential matrix (894.67989s) started
T25 << 1462791538.60798693 Potential matrix (897.10843s) stopped
T25 >> 1462791538.60806894 DistributedAtomicCorrection (381.54358s) started
T25 << 1462791539.69146609 DistributedAtomicCorrection (382.62698s) stopped
T25 >> 1462791539.69156098 Distribute overlap matrix (2106.37376s) started
T25 >> 1462791539.69158602 blocked summation (2060.97449s) started
T25 << 1462791545.60543609 blocked summation (2066.88834s) stopped
T25 >> 1462791545.61519909 Scalapack redistribute (41.83304s) started
T25 << 1462791545.70849705 Scalapack redistribute (41.92633s) stopped
T25 << 1462791545.70858002 Distribute overlap matrix (2112.39078s) stopped
T25 >> 1462791545.71493793 Blacs Orbital Layouts (21591.08605s) started
T25 >> 1462791545.72356200 General diagonalize (21499.73728s) started
T25 << 1462791604.74063396 General diagonalize (21558.75435s) stopped
T25 >> 1462791604.74067807 Redistribute coefs (7.44640s) started
T25 << 1462791604.75739193 Redistribute coefs (7.46312s) stopped
T25 >> 1462791604.75743389 Send coefs to domains (80.57823s) started
T25 << 1462791605.04852509 Send coefs to domains (80.86932s) stopped
T25 << 1462791605.04902601 Blacs Orbital Layouts (21650.42014s) stopped
T25 >> 1462791605.04905510 Calculate projections (1833.58948s) started
T25 << 1462791610.02823091 Calculate projections (1838.56865s) stopped
T25 << 1462791610.02856994 LCAO eigensolver (26883.30356s) stopped
T25 >> 1462791610.99262691 Density (5717.83246s) started
T25 >> 1462791610.99264312 Pseudo density (4676.54069s) started
T25 >> 1462791610.99441290 Calculate density matrix (4126.16973s) started
T25 << 1462791624.38680291 Calculate density matrix (4139.56212s) stopped
T25 >> 1462791624.38689899 Construct density (536.72268s) started
T25 << 1462791626.02960110 Construct density (538.36538s) stopped
T25 >> 1462791626.11268711 Symmetrize density (0.02583s) started
T25 << 1462791626.11275005 Symmetrize density (0.02590s) stopped
T25 << 1462791626.11509991 Pseudo density (4691.66314s) stopped
T25 >> 1462791626.11516094 Atomic density matrices (867.74991s) started
T25 << 1462791628.97637606 Atomic density matrices (870.61112s) stopped
T25 >> 1462791628.97642899 Multipole moments (3.34886s) started
T25 << 1462791628.99036193 Multipole moments (3.36279s) stopped
T25 >> 1462791628.99042606 Normalize (2.75113s) started
T25 << 1462791629.00114107 Normalize (2.76185s) stopped
T25 >> 1462791629.00119305 Mix (167.40212s) started
T25 << 1462791629.54464507 Mix (167.94557s) stopped
T25 << 1462791629.54471207 Density (5736.38455s) stopped
T25 >> 1462791629.54503798 Hamiltonian (50794.69059s) started
T25 >> 1462791629.54506207 vbar (9.01434s) started
T25 << 1462791629.57157803 vbar (9.04086s) stopped
T25 >> 1462791629.57166600 XC 3D grid (43972.13835s) started
T25 >> 1462791630.06967807 van der Waals (43645.45123s) started
T25 >> 1462791630.20071006 semilocal (33142.02944s) started
T25 << 1462791978.75466990 semilocal (33490.58340s) stopped
T25 >> 1462791978.82678890 redistribute (4174.01830s) started
T25 << 1462791981.10399389 redistribute (4176.29550s) stopped
T25 >> 1462791981.10411692 libvdwxc nonlocal (6259.88237s) started
T25 << 1462791999.93336296 libvdwxc nonlocal (6278.71162s) stopped
T25 >> 1462791999.93343496 redistribute (4176.29554s) started
T25 << 1462792001.87225294 redistribute (4178.23435s) stopped
T25 << 1462792001.87492204 van der Waals (44017.25647s) stopped
T25 << 1462792002.36862397 XC 3D grid (44344.93531s) stopped
T25 >> 1462792002.36866498 Poisson (2432.28569s) started
T25 << 1462792006.78850794 Poisson (2436.70553s) stopped
T25 >> 1462792006.78858399 Hartree integrate/restrict (127.68260s) started
T25 << 1462792006.83339000 Hartree integrate/restrict (127.72741s) stopped
T25 >> 1462792006.83352494 Hartree integrate/restrict (127.72752s) started
T25 << 1462792007.21023703 Hartree integrate/restrict (128.10423s) stopped
T25 >> 1462792007.26349092 Atomic (3847.45516s) started
T25 >> 1462792007.28693891 XC Correction (2858.35759s) started
T25 << 1462792019.02579093 XC Correction (2870.09644s) stopped
T25 << 1462792023.87610292 Atomic (3864.06777s) stopped
T25 >> 1462792023.87644696 Communicate (386.90512s) started
T25 << 1462792023.87656498 Communicate (386.90524s) stopped
T25 << 1462792023.87658811 Hamiltonian (51189.02214s) stopped
T25 >> 1462792023.87669301 LCAO eigensolver (26883.30358s) started
T25 >> 1462792023.87670803 Potential matrix (897.10848s) started
T25 << 1462792026.28363204 Potential matrix (899.51541s) stopped
T25 >> 1462792026.28372002 DistributedAtomicCorrection (382.62702s) started
T25 << 1462792027.38963294 DistributedAtomicCorrection (383.73293s) stopped
T25 >> 1462792027.38972902 Distribute overlap matrix (2112.39080s) started
T25 >> 1462792027.38975501 blocked summation (2066.88837s) started
T25 << 1462792033.33996201 blocked summation (2072.83858s) stopped
T25 >> 1462792033.34904194 Scalapack redistribute (41.92638s) started
T25 << 1462792033.46362805 Scalapack redistribute (42.04096s) stopped
T25 << 1462792033.46374607 Distribute overlap matrix (2118.46481s) stopped
T25 >> 1462792033.46906590 Blacs Orbital Layouts (21650.42016s) started
T25 >> 1462792033.47790003 General diagonalize (21558.75438s) started
T25 << 1462792092.16923809 General diagonalize (21617.44572s) stopped
T25 >> 1462792092.16928196 Redistribute coefs (7.46315s) started
T25 << 1462792092.18572593 Redistribute coefs (7.47959s) stopped
T25 >> 1462792092.18576789 Send coefs to domains (80.86936s) started
T25 << 1462792092.31463099 Send coefs to domains (80.99823s) stopped
T25 << 1462792092.31511307 Blacs Orbital Layouts (21709.26620s) stopped
T25 >> 1462792092.31515694 Calculate projections (1838.56871s) started
T25 << 1462792097.28500009 Calculate projections (1843.53855s) stopped
T25 << 1462792097.28534293 LCAO eigensolver (26956.71223s) stopped
T25 << 1462792098.32670212 SCF-cycle (84384.77595s) stopped
T25 >> 1462792101.47403502 Force calculation (4101.72475s) started
T25 >> 1462792101.47411299 LCAO forces (3682.66215s) started
T25 >> 1462792101.47449088 Initial (0.00104s) started
T25 << 1462792101.47450304 Initial (0.00106s) stopped
T25 >> 1462792101.48105502 Get density matrix (1717.62448s) started
T25 << 1462792110.90171599 Get density matrix (1727.04514s) stopped
T25 >> 1462792110.90176010 Potential (585.32910s) started
T25 << 1462792123.43451905 Potential (597.86186s) stopped
T25 >> 1462792123.43457603 Get density matrix (1727.04517s) started
T25 << 1462792150.60811496 Get density matrix (1754.21871s) stopped
T25 >> 1462792150.60818195 Prepare TCI loop (117.36043s) started
T25 >> 1462792150.60876012 Get neighbors (105.09659s) started
T25 << 1462792152.95079398 Get neighbors (107.43862s) stopped
T25 >> 1462792152.95194793 broadcast dH (12.20219s) started
T25 << 1462792153.19551206 broadcast dH (12.44576s) stopped
T25 << 1462792153.19556403 Prepare TCI loop (119.94782s) stopped
T25 >> 1462792153.19558406 Not so complicated loop (494.10601s) started
T25 << 1462792163.78629589 Not so complicated loop (504.69672s) stopped
T25 >> 1462792163.90676498 Complicated loop (762.15189s) started
T25 << 1462792180.30379295 Complicated loop (778.54892s) stopped
T25 >> 1462792180.30686688 Wait for sum (0.00499s) started
T25 << 1462792180.30695605 Wait for sum (0.00508s) stopped
T25 << 1462792180.30697107 LCAO forces (3761.49501s) stopped
T25 << 1462792189.78958797 Force calculation (4190.04031s) stopped
T25 >> 1462792189.81089401 Initialization (6359.00301s) started
T25 << 1462792189.81111503 Initialization (6359.00323s) stopped
T25 >> 1462792189.81136394 Initialization (6359.00325s) started
T25 << 1462792189.81151605 Initialization (6359.00340s) stopped
T25 >> 1462792189.81166601 Initialization (6359.00342s) started
T25 << 1462792189.81181598 Initialization (6359.00357s) stopped
T25 >> 1462792213.29086208 Initialization (6359.00359s) started
T25 >> 1462792213.43857694 Basic WFS set positions (6.95382s) started
T25 >> 1462792213.43860197 Redistribute (0.29543s) started
T25 << 1462792213.43874097 Redistribute (0.29557s) stopped
T25 << 1462792213.60928798 Basic WFS set positions (7.12453s) stopped
T25 >> 1462792213.60933995 Basis functions set positions (100.85643s) started
T25 << 1462792215.85829091 Basis functions set positions (103.10539s) stopped
T25 >> 1462792215.86677003 TCI: Calculate S, T, P (1247.03226s) started
T25 << 1462792244.96494508 TCI: Calculate S, T, P (1276.13043s) stopped
T25 >> 1462792244.96505904 blocked summation (1383.38997s) started
T25 << 1462792279.46921301 blocked summation (1417.89412s) stopped
T25 >> 1462792279.48524594 Scalapack redistribute (13.83796s) started
T25 << 1462792279.61733794 Scalapack redistribute (13.97005s) stopped
T25 >> 1462792279.61840606 blocked summation (1417.89416s) started
T25 << 1462792280.92523098 blocked summation (1419.20098s) stopped
T25 >> 1462792280.93449497 Scalapack redistribute (13.97012s) started
T25 << 1462792281.05256009 Scalapack redistribute (14.08819s) stopped
T25 >> 1462792281.05545807 Redistribute (0.85561s) started
T25 << 1462792281.05679607 Redistribute (0.85695s) stopped
T25 >> 1462792283.11557889 Redistribute (0.85697s) started
T25 << 1462792283.11708808 Redistribute (0.85848s) stopped
T25 >> 1462792283.14511895 LCAO WFS Initialize (3489.81014s) started
T25 >> 1462792283.14516091 Density initialize from wavefunctions (695.91730s) started
T25 >> 1462792283.14875507 Calculate density matrix (473.26042s) started
T25 << 1462792293.08640194 Calculate density matrix (483.19807s) stopped
T25 >> 1462792293.08645701 Construct density (77.25682s) started
T25 << 1462792294.72822094 Construct density (78.89859s) stopped
T25 >> 1462792294.74078798 Symmetrize density (0.00367s) started
T25 << 1462792294.74085212 Symmetrize density (0.00373s) stopped
T25 << 1462792297.86722207 Density initialize from wavefunctions (710.63936s) stopped
T25 >> 1462792297.86808801 Hamiltonian (2792.83814s) started
T25 >> 1462792297.86812091 vbar (1.20895s) started
T25 << 1462792297.88876295 vbar (1.22959s) stopped
T25 >> 1462792297.88887596 XC 3D grid (1442.71263s) started
T25 >> 1462792298.38715291 van der Waals (1394.73954s) started
T25 >> 1462792298.52142692 semilocal (322.42374s) started
T25 << 1462792305.64192390 semilocal (329.54424s) stopped
T25 >> 1462792305.70762396 redistribute (145.69381s) started
T25 << 1462792306.61071110 redistribute (146.59690s) stopped
T25 >> 1462792306.61084604 libvdwxc nonlocal (916.85184s) started
T25 << 1462792325.77536702 libvdwxc nonlocal (936.01636s) stopped
T25 >> 1462792325.77542210 redistribute (146.59693s) started
T25 << 1462792327.81042695 redistribute (148.63194s) stopped
T25 << 1462792327.81186509 van der Waals (1424.16426s) stopped
T25 << 1462792328.30904508 XC 3D grid (1473.13280s) stopped
T25 >> 1462792328.30910611 Poisson (637.11292s) started
T25 << 1462792338.36595297 Poisson (647.16977s) stopped
T25 >> 1462792338.36607003 Hartree integrate/restrict (19.07498s) started
T25 << 1462792338.40849304 Hartree integrate/restrict (19.11740s) stopped
T25 >> 1462792338.40860200 Hartree integrate/restrict (19.11746s) started
T25 << 1462792338.75580311 Hartree integrate/restrict (19.46466s) stopped
T25 >> 1462792338.81692410 Atomic (666.67112s) started
T25 >> 1462792338.84151101 XC Correction (479.11568s) started
T25 << 1462792351.60239601 XC Correction (491.87656s) stopped
T25 << 1462792356.43597102 Atomic (684.29017s) stopped
T25 >> 1462792356.43634105 Communicate (23.12881s) started
T25 << 1462792356.43687296 Communicate (23.12934s) stopped
T25 << 1462792356.43689609 Hamiltonian (2851.40695s) stopped
T25 << 1462792356.43695688 LCAO WFS Initialize (3563.10198s) stopped
T25 << 1462792356.44928288 Initialization (6502.16201s) stopped
T25 >> 1462792356.47977805 SCF-cycle (84384.77596s) started
T25 >> 1462792356.47983289 LCAO eigensolver (26956.71224s) started
T25 >> 1462792356.47984600 Potential matrix (899.51545s) started
T25 << 1462792358.89748502 Potential matrix (901.93309s) stopped
T25 >> 1462792358.89758110 DistributedAtomicCorrection (383.73297s) started
T25 << 1462792359.99863601 DistributedAtomicCorrection (384.83403s) stopped
T25 >> 1462792359.99874592 Distribute overlap matrix (2118.46483s) started
T25 >> 1462792359.99877191 blocked summation (2072.83861s) started
T25 << 1462792365.94145489 blocked summation (2078.78129s) stopped
T25 >> 1462792365.95085001 Scalapack redistribute (42.04103s) started
T25 << 1462792366.05350089 Scalapack redistribute (42.14368s) stopped
T25 << 1462792366.05359697 Distribute overlap matrix (2124.51968s) stopped
T25 >> 1462792366.05880809 Blacs Orbital Layouts (21709.26622s) started
T25 >> 1462792366.06666303 General diagonalize (21617.44575s) started
T25 << 1462792426.96267390 General diagonalize (21678.34177s) stopped
T25 >> 1462792426.96271896 Redistribute coefs (7.47963s) started
T25 << 1462792426.97901511 Redistribute coefs (7.49592s) stopped
T25 >> 1462792426.97905707 Send coefs to domains (80.99826s) started
T25 << 1462792427.06204200 Send coefs to domains (81.08125s) stopped
T25 << 1462792427.06236410 Blacs Orbital Layouts (21770.26978s) stopped
T25 >> 1462792427.06239390 Calculate projections (1843.53861s) started
T25 << 1462792432.01019812 Calculate projections (1848.48641s) stopped
T25 << 1462792432.01038408 LCAO eigensolver (27032.24280s) stopped
T25 >> 1462792433.06610107 Density (5736.38456s) started
T25 >> 1462792433.06611395 Pseudo density (4691.66319s) started
T25 >> 1462792433.06736302 Calculate density matrix (4139.56216s) started
T25 << 1462792446.89927292 Calculate density matrix (4153.39406s) stopped
T25 >> 1462792446.89932704 Construct density (538.36544s) started
T25 << 1462792448.54410696 Construct density (540.01022s) stopped
T25 >> 1462792448.60309505 Symmetrize density (0.02591s) started
T25 << 1462792448.60315800 Symmetrize density (0.02597s) stopped
T25 << 1462792448.60521197 Pseudo density (4707.20229s) stopped
T25 >> 1462792448.60527301 Atomic density matrices (870.61115s) started
T25 << 1462792451.29947996 Atomic density matrices (873.30535s) stopped
T25 >> 1462792451.29953194 Multipole moments (3.36281s) started
T25 << 1462792451.31289792 Multipole moments (3.37618s) stopped
T25 >> 1462792451.31296110 Normalize (2.76189s) started
T25 << 1462792451.32033205 Normalize (2.76926s) stopped
T25 >> 1462792451.32038689 Mix (167.94564s) started
T25 << 1462792451.74444604 Mix (168.36969s) stopped
T25 << 1462792451.74454188 Density (5755.06301s) stopped
T25 >> 1462792451.74484611 Hamiltonian (51189.02216s) started
T25 >> 1462792451.74486804 vbar (9.04091s) started
T25 << 1462792451.77166510 vbar (9.06770s) stopped
T25 >> 1462792451.77183104 XC 3D grid (44344.93534s) started
T25 >> 1462792452.28070593 van der Waals (44017.25659s) started
T25 >> 1462792452.41401696 semilocal (33490.58348s) started
T25 << 1462792459.31435299 semilocal (33497.48381s) stopped
T25 >> 1462792459.38642502 redistribute (4178.23447s) started
T25 << 1462792460.37633204 redistribute (4179.22438s) stopped
T25 >> 1462792460.37646389 libvdwxc nonlocal (6278.71167s) started
T25 << 1462792480.61427307 libvdwxc nonlocal (6298.94948s) stopped
T25 >> 1462792480.61431599 redistribute (4179.22441s) started
T25 << 1462792482.81805706 redistribute (4181.42815s) stopped
T25 << 1462792482.82004905 van der Waals (44047.79594s) stopped
T25 << 1462792483.32545805 XC 3D grid (44376.48897s) stopped
T25 >> 1462792483.32551003 Poisson (2436.70559s) started
T25 << 1462792487.78362894 Poisson (2441.16370s) stopped
T25 >> 1462792487.78370500 Hartree integrate/restrict (128.10429s) started
T25 << 1462792487.82980704 Hartree integrate/restrict (128.15039s) stopped
T25 >> 1462792487.82985806 Hartree integrate/restrict (128.15042s) started
T25 << 1462792488.18843794 Hartree integrate/restrict (128.50900s) stopped
T25 >> 1462792488.24672008 Atomic (3864.06779s) started
T25 >> 1462792488.27109790 XC Correction (2870.09647s) started
T25 << 1462792500.77684689 XC Correction (2882.60222s) stopped
T25 << 1462792505.88579202 Atomic (3881.70686s) stopped
T25 >> 1462792505.88612294 Communicate (386.90525s) started
T25 << 1462792505.88642812 Communicate (386.90556s) stopped
T25 << 1462792505.88645101 Hamiltonian (51243.16376s) stopped
T25 >> 1462792505.88655305 LCAO eigensolver (27032.24281s) started
T25 >> 1462792505.88656902 Potential matrix (901.93315s) started
T25 << 1462792508.29192400 Potential matrix (904.33850s) stopped
T25 >> 1462792508.29201388 DistributedAtomicCorrection (384.83407s) started
T25 << 1462792509.36301708 DistributedAtomicCorrection (385.90507s) stopped
T25 >> 1462792509.36311197 Distribute overlap matrix (2124.51970s) started
T25 >> 1462792509.36313701 blocked summation (2078.78133s) started
T25 << 1462792515.48541188 blocked summation (2084.90360s) stopped
T25 >> 1462792515.49517012 Scalapack redistribute (42.14374s) started
T25 << 1462792515.60591412 Scalapack redistribute (42.25448s) stopped
T25 << 1462792515.60603905 Distribute overlap matrix (2130.76263s) stopped
T25 >> 1462792515.61300206 Blacs Orbital Layouts (21770.26980s) started
T25 >> 1462792515.62208891 General diagonalize (21678.34180s) started
T25 << 1462792575.17940497 General diagonalize (21737.89912s) stopped
T25 >> 1462792575.17947507 Redistribute coefs (7.49595s) started
T25 << 1462792575.19553304 Redistribute coefs (7.51201s) stopped
T25 >> 1462792575.19557595 Send coefs to domains (81.08129s) started
T25 << 1462792575.39114594 Send coefs to domains (81.27686s) stopped
T25 << 1462792575.39146590 Blacs Orbital Layouts (21830.04827s) stopped
T25 >> 1462792575.39150906 Calculate projections (1848.48647s) started
T25 << 1462792580.35583401 Calculate projections (1853.45080s) stopped
T25 << 1462792580.35617208 LCAO eigensolver (27106.71243s) stopped
T25 >> 1462792581.47866106 Density (5755.06302s) started
T25 >> 1462792581.47867608 Pseudo density (4707.20234s) started
T25 >> 1462792581.47997689 Calculate density matrix (4153.39410s) started
T25 << 1462792594.69573998 Calculate density matrix (4166.60986s) stopped
T25 >> 1462792594.69579291 Construct density (540.01027s) started
T25 << 1462792596.35112000 Construct density (541.66560s) stopped
T25 >> 1462792596.44098210 Symmetrize density (0.02599s) started
T25 << 1462792596.44104910 Symmetrize density (0.02606s) stopped
T25 << 1462792596.44309711 Pseudo density (4722.16676s) stopped
T25 >> 1462792596.44315600 Atomic density matrices (873.30538s) started
T25 << 1462792599.05464506 Atomic density matrices (875.91687s) stopped
T25 >> 1462792599.05469704 Multipole moments (3.37620s) started
T25 << 1462792599.06832910 Multipole moments (3.38983s) stopped
T25 >> 1462792599.06839705 Normalize (2.76930s) started
T25 << 1462792599.07564998 Normalize (2.77655s) stopped
T25 >> 1462792599.07569790 Mix (168.36979s) started
T25 << 1462792599.56314301 Mix (168.85723s) stopped
T25 << 1462792599.56323910 Density (5773.14760s) stopped
T25 >> 1462792599.56356907 Hamiltonian (51243.16377s) started
T25 >> 1462792599.56359911 vbar (9.06780s) started
T25 << 1462792599.59295297 vbar (9.09715s) stopped
T25 >> 1462792599.59305191 XC 3D grid (44376.48901s) started
T25 >> 1462792600.09849405 van der Waals (44047.79598s) started
T25 >> 1462792600.23169994 semilocal (33497.48388s) started
T25 << 1462792607.16218209 semilocal (33504.41436s) stopped
T25 >> 1462792607.23202610 redistribute (4181.42820s) started
T25 << 1462792608.17697406 redistribute (4182.37315s) stopped
T25 >> 1462792608.17711091 libvdwxc nonlocal (6298.94951s) started
T25 << 1462792627.62252808 libvdwxc nonlocal (6318.39493s) stopped
T25 >> 1462792627.62260008 redistribute (4182.37318s) started
T25 << 1462792629.87034297 redistribute (4184.62093s) stopped
T25 << 1462792629.87277007 van der Waals (44077.57025s) stopped
T25 << 1462792630.36207294 XC 3D grid (44407.25803s) stopped
T25 >> 1462792630.36213207 Poisson (2441.16376s) started
T25 << 1462792636.31655502 Poisson (2447.11818s) stopped
T25 >> 1462792636.31662011 Hartree integrate/restrict (128.50904s) started
T25 << 1462792636.35620093 Hartree integrate/restrict (128.54862s) stopped
T25 >> 1462792636.35633111 Hartree integrate/restrict (128.54871s) started
T25 << 1462792636.72346306 Hartree integrate/restrict (128.91584s) stopped
T25 >> 1462792636.77192903 Atomic (3881.70689s) started
T25 >> 1462792636.79594302 XC Correction (2882.60225s) started
T25 << 1462792648.84136891 XC Correction (2894.64768s) stopped
T25 << 1462792654.04776192 Atomic (3898.98272s) stopped
T25 >> 1462792654.04804111 Communicate (386.90557s) started
T25 << 1462792654.04861593 Communicate (386.90615s) stopped
T25 << 1462792654.04863906 Hamiltonian (51297.64884s) stopped
T25 >> 1462792654.04873800 LCAO eigensolver (27106.71245s) started
T25 >> 1462792654.04875302 Potential matrix (904.33855s) started
T25 << 1462792656.44775391 Potential matrix (906.73755s) stopped
T25 >> 1462792656.44784999 DistributedAtomicCorrection (385.90511s) started
T25 << 1462792657.53518200 DistributedAtomicCorrection (386.99244s) stopped
T25 >> 1462792657.53527808 Distribute overlap matrix (2130.76264s) started
T25 >> 1462792657.53530407 blocked summation (2084.90363s) started
T25 << 1462792663.54023099 blocked summation (2090.90856s) stopped
T25 >> 1462792663.55039310 Scalapack redistribute (42.25457s) started
T25 << 1462792663.65945101 Scalapack redistribute (42.36363s) stopped
T25 << 1462792663.65956092 Distribute overlap matrix (2136.88692s) stopped
T25 >> 1462792663.66519403 Blacs Orbital Layouts (21830.04829s) started
T25 >> 1462792663.67358804 General diagonalize (21737.89918s) started
T25 << 1462792722.00296903 General diagonalize (21796.22856s) stopped
T25 >> 1462792722.00302005 Redistribute coefs (7.51205s) started
T25 << 1462792722.01932907 Redistribute coefs (7.52835s) stopped
T25 >> 1462792722.01937199 Send coefs to domains (81.27689s) started
T25 << 1462792722.26981306 Send coefs to domains (81.52733s) stopped
T25 << 1462792722.27025104 Blacs Orbital Layouts (21888.65334s) stopped
T25 >> 1462792722.27029490 Calculate projections (1853.45085s) started
T25 << 1462792727.20524001 Calculate projections (1858.38580s) stopped
T25 << 1462792727.20564198 LCAO eigensolver (27179.86935s) stopped
T25 >> 1462792728.28179502 Density (5773.14761s) started
T25 >> 1462792728.28181100 Pseudo density (4722.16681s) started
T25 >> 1462792728.28336191 Calculate density matrix (4166.60990s) started
T25 << 1462792741.35355091 Calculate density matrix (4179.68009s) stopped
T25 >> 1462792741.35361195 Construct density (541.66566s) started
T25 << 1462792743.02786493 Construct density (543.33991s) stopped
T25 >> 1462792743.04365396 Symmetrize density (0.02608s) started
T25 << 1462792743.04371405 Symmetrize density (0.02614s) stopped
T25 << 1462792743.04608703 Pseudo density (4736.93109s) stopped
T25 >> 1462792743.04614305 Atomic density matrices (875.91689s) started
T25 << 1462792745.74982810 Atomic density matrices (878.62058s) stopped
T25 >> 1462792745.74988103 Multipole moments (3.38984s) started
T25 << 1462792745.76173592 Multipole moments (3.40170s) stopped
T25 >> 1462792745.76180005 Normalize (2.77658s) started
T25 << 1462792745.76989198 Normalize (2.78468s) stopped
T25 >> 1462792745.76995206 Mix (168.85732s) started
T25 << 1462792746.26462698 Mix (169.35200s) stopped
T25 << 1462792746.26471305 Density (5791.13053s) stopped
T25 >> 1462792746.26499104 Hamiltonian (51297.64886s) started
T25 >> 1462792746.26500893 vbar (9.09721s) started
T25 << 1462792746.29202890 vbar (9.12423s) stopped
T25 >> 1462792746.29216790 XC 3D grid (44407.25808s) started
T25 >> 1462792746.77019501 van der Waals (44077.57035s) started
T25 >> 1462792746.90443897 semilocal (33504.41446s) started
T25 << 1462793228.09342599 semilocal (33985.60345s) stopped
T25 >> 1462793228.16461396 redistribute (4184.62105s) started
T25 << 1462793229.20265198 redistribute (4185.65908s) stopped
T25 >> 1462793229.20278001 libvdwxc nonlocal (6318.39498s) started
T25 << 1462793248.01663804 libvdwxc nonlocal (6337.20884s) stopped
T25 >> 1462793248.01670504 redistribute (4185.65912s) started
T25 << 1462793249.82900691 redistribute (4187.47142s) stopped
T25 << 1462793249.83133292 van der Waals (44580.63149s) stopped
T25 << 1462793250.31759000 XC 3D grid (44911.28350s) stopped
T25 >> 1462793250.31763601 Poisson (2447.11822s) started
T25 << 1462793255.99905396 Poisson (2452.79964s) stopped
T25 >> 1462793255.99914289 Hartree integrate/restrict (128.91589s) started
T25 << 1462793256.04097390 Hartree integrate/restrict (128.95772s) stopped
T25 >> 1462793256.04105997 Hartree integrate/restrict (128.95777s) started
T25 << 1462793256.38681006 Hartree integrate/restrict (129.30352s) stopped
T25 >> 1462793256.44317007 Atomic (3898.98274s) started
T25 >> 1462793256.46741891 XC Correction (2894.64770s) started
T25 << 1462793268.57624412 XC Correction (2906.75652s) stopped
T25 << 1462793272.85648489 Atomic (3915.39605s) stopped
T25 >> 1462793272.85681891 Communicate (386.90616s) started
T25 << 1462793272.87341309 Communicate (386.92276s) stopped
T25 << 1462793272.87343788 Hamiltonian (51824.25730s) stopped
T25 >> 1462793272.87354398 LCAO eigensolver (27179.86937s) started
T25 >> 1462793272.87355995 Potential matrix (906.73760s) started
T25 << 1462793275.28271103 Potential matrix (909.14676s) stopped
T25 >> 1462793275.28281307 DistributedAtomicCorrection (386.99249s) started
T25 << 1462793276.37945104 DistributedAtomicCorrection (388.08912s) stopped
T25 >> 1462793276.37954712 Distribute overlap matrix (2136.88694s) started
T25 >> 1462793276.37957311 blocked summation (2090.90859s) started
T25 << 1462793282.40883994 blocked summation (2096.93786s) stopped
T25 >> 1462793282.41880989 Scalapack redistribute (42.36369s) started
T25 << 1462793282.53164601 Scalapack redistribute (42.47652s) stopped
T25 << 1462793282.53174305 Distribute overlap matrix (2143.03914s) stopped
T25 >> 1462793282.53749895 Blacs Orbital Layouts (21888.65336s) started
T25 >> 1462793282.54588103 General diagonalize (21796.22860s) started
T25 << 1462793346.21395707 General diagonalize (21859.89667s) stopped
T25 >> 1462793346.21400690 Redistribute coefs (7.52839s) started
T25 << 1462793346.23147511 Redistribute coefs (7.54586s) stopped
T25 >> 1462793346.23152208 Send coefs to domains (81.52738s) started
T25 << 1462793346.35818601 Send coefs to domains (81.65404s) stopped
T25 << 1462793346.35856795 Blacs Orbital Layouts (21952.47443s) stopped
T25 >> 1462793346.35861111 Calculate projections (1858.38585s) started
T25 << 1462793351.29208493 Calculate projections (1863.31932s) stopped
T25 << 1462793351.29248905 LCAO eigensolver (27258.28832s) stopped
T25 >> 1462793352.55098009 Density (5791.13055s) started
T25 >> 1462793352.55099511 Pseudo density (4736.93113s) started
T25 >> 1462793352.55282593 Calculate density matrix (4179.68013s) started
T25 << 1462793365.94062400 Calculate density matrix (4193.06792s) stopped
T25 >> 1462793365.94072104 Construct density (543.33997s) started
T25 << 1462793367.60392404 Construct density (545.00317s) stopped
T25 >> 1462793367.68923092 Symmetrize density (0.02616s) started
T25 << 1462793367.68928790 Symmetrize density (0.02621s) stopped
T25 << 1462793367.69162393 Pseudo density (4752.07176s) stopped
T25 >> 1462793367.69167995 Atomic density matrices (878.62061s) started
T25 << 1462793370.31022310 Atomic density matrices (881.23915s) stopped
T25 >> 1462793370.31027508 Multipole moments (3.40172s) started
T25 << 1462793370.32413912 Multipole moments (3.41558s) stopped
T25 >> 1462793370.32420111 Normalize (2.78472s) started
T25 << 1462793370.33538294 Normalize (2.79590s) stopped
T25 >> 1462793370.33544803 Mix (169.35208s) started
T25 << 1462793370.83822203 Mix (169.85485s) stopped
T25 << 1462793370.83829904 Density (5809.41787s) stopped
T25 >> 1462793370.83856511 Hamiltonian (51824.25732s) started
T25 >> 1462793370.83858299 vbar (9.12431s) started
T25 << 1462793370.87166309 vbar (9.15739s) stopped
T25 >> 1462793370.87180996 XC 3D grid (44911.28354s) started
T25 >> 1462793371.36094594 van der Waals (44580.63156s) started
T25 >> 1462793371.49787807 semilocal (33985.60354s) started
T25 << 1462793676.75138211 semilocal (34290.85705s) stopped
T25 >> 1462793676.84153605 redistribute (4187.47155s) started
T25 << 1462794000.05415106 redistribute (4510.68416s) stopped
T25 >> 1462794000.05427909 libvdwxc nonlocal (6337.20889s) started
T25 << 1462794019.01076007 libvdwxc nonlocal (6356.16537s) stopped
T25 >> 1462794019.01081991 redistribute (4510.68420s) started
T25 << 1462794020.79780197 redistribute (4512.47118s) stopped
T25 << 1462794020.79962897 van der Waals (45230.07025s) stopped
T25 << 1462794021.29791594 XC 3D grid (45561.70964s) stopped
T25 >> 1462794021.29796410 Poisson (2452.79970s) started
T25 << 1462794025.59815311 Poisson (2457.09989s) stopped
T25 >> 1462794025.59828210 Hartree integrate/restrict (129.30356s) started
T25 << 1462794025.64075398 Hartree integrate/restrict (129.34603s) stopped
T25 >> 1462794025.64084196 Hartree integrate/restrict (129.34609s) started
T25 << 1462794026.01464295 Hartree integrate/restrict (129.71989s) stopped
T25 >> 1462794026.07034206 Atomic (3915.39608s) started
T25 >> 1462794026.09459805 XC Correction (2906.75655s) started
T25 << 1462794038.30378294 XC Correction (2918.96573s) stopped
T25 << 1462794042.18730497 Atomic (3931.51304s) stopped
T25 >> 1462794042.18762302 Communicate (386.92277s) started
T25 << 1462794042.40786099 Communicate (387.14301s) stopped
T25 << 1462794042.40788603 Hamiltonian (52495.82664s) stopped
T25 >> 1462794042.40798807 LCAO eigensolver (27258.28834s) started
T25 >> 1462794042.40800309 Potential matrix (909.14681s) started
T25 << 1462794044.82757592 Potential matrix (911.56639s) stopped
T25 >> 1462794044.82765698 DistributedAtomicCorrection (388.08917s) started
T25 << 1462794045.96401501 DistributedAtomicCorrection (389.22552s) stopped
T25 >> 1462794045.96410799 Distribute overlap matrix (2143.03915s) started
T25 >> 1462794045.96413207 blocked summation (2096.93789s) started
T25 << 1462794051.84821796 blocked summation (2102.82198s) stopped
T25 >> 1462794051.85755110 Scalapack redistribute (42.47658s) started
T25 << 1462794051.95704889 Scalapack redistribute (42.57608s) stopped
T25 << 1462794051.95716596 Distribute overlap matrix (2149.03221s) stopped
T25 >> 1462794051.96205997 Blacs Orbital Layouts (21952.47445s) started
T25 >> 1462794051.96957302 General diagonalize (21859.89671s) started
T25 << 1462794112.14553308 General diagonalize (21920.07267s) stopped
T25 >> 1462794112.14558411 Redistribute coefs (7.54589s) started
T25 << 1462794112.16206002 Redistribute coefs (7.56237s) stopped
T25 >> 1462794112.16210389 Send coefs to domains (81.65408s) started
T25 << 1462794112.43301606 Send coefs to domains (81.92499s) stopped
T25 << 1462794112.43335509 Blacs Orbital Layouts (22012.94575s) stopped
T25 >> 1462794112.43340111 Calculate projections (1863.31938s) started
T25 << 1462794117.36477590 Calculate projections (1868.25075s) stopped
T25 << 1462794117.36514592 LCAO eigensolver (27333.24549s) stopped
T25 << 1462794118.83979201 SCF-cycle (86147.13598s) stopped
T25 >> 1462794121.99537706 Force calculation (4190.04033s) started
T25 >> 1462794121.99545503 LCAO forces (3761.49502s) started
T25 >> 1462794121.99582100 Initial (0.00107s) started
T25 << 1462794121.99583197 Initial (0.00108s) stopped
T25 >> 1462794122.00242209 Get density matrix (1754.21874s) started
T25 << 1462794131.33242297 Get density matrix (1763.54874s) stopped
T25 >> 1462794131.33246589 Potential (597.86191s) started
T25 << 1462794143.77611303 Potential (610.30555s) stopped
T25 >> 1462794143.77617002 Get density matrix (1763.54878s) started
T25 << 1462794170.94928908 Get density matrix (1790.72190s) stopped
T25 >> 1462794170.94935012 Prepare TCI loop (119.94783s) started
T25 >> 1462794170.94988108 Get neighbors (107.43868s) started
T25 << 1462794173.18579698 Get neighbors (109.67459s) stopped
T25 >> 1462794173.18690610 broadcast dH (12.44579s) started
T25 << 1462794173.72089410 broadcast dH (12.97978s) stopped
T25 << 1462794173.72094107 Prepare TCI loop (122.71942s) stopped
T25 >> 1462794173.72095990 Not so complicated loop (504.69676s) started
T25 << 1462794184.36167598 Not so complicated loop (515.33748s) stopped
T25 >> 1462794184.47702694 Complicated loop (778.54895s) started
T25 << 1462794200.87275195 Complicated loop (794.94468s) stopped
T25 >> 1462794200.87580705 Wait for sum (0.00509s) started
T25 << 1462794200.87589407 Wait for sum (0.00518s) stopped
T25 << 1462794200.87590790 LCAO forces (3840.37547s) stopped
T25 << 1462794208.92041993 Force calculation (4276.96538s) stopped
T25 >> 1462794208.94138598 Initialization (6502.16203s) started
T25 << 1462794208.94158196 Initialization (6502.16222s) stopped
T25 >> 1462794208.94183302 Initialization (6502.16224s) started
T25 << 1462794208.94198108 Initialization (6502.16239s) stopped
T25 >> 1462794208.94212890 Initialization (6502.16240s) started
T25 << 1462794208.94227695 Initialization (6502.16255s) stopped
T25 >> 1462794232.29798603 Initialization (6502.16257s) started
T25 >> 1462794232.66556501 Basic WFS set positions (7.12455s) started
T25 >> 1462794232.66558790 Redistribute (0.29559s) started
T25 << 1462794232.66572309 Redistribute (0.29572s) stopped
T25 << 1462794232.84176207 Basic WFS set positions (7.30075s) stopped
T25 >> 1462794232.84181404 Basis functions set positions (103.10541s) started
T25 << 1462794235.12735105 Basis functions set positions (105.39095s) stopped
T25 >> 1462794235.13509798 TCI: Calculate S, T, P (1276.13047s) started
T25 << 1462794263.99362993 TCI: Calculate S, T, P (1304.98900s) stopped
T25 >> 1462794263.99373293 blocked summation (1419.20102s) started
T25 << 1462794299.15733695 blocked summation (1454.36462s) stopped
T25 >> 1462794299.17859912 Scalapack redistribute (14.08822s) started
T25 << 1462794299.29186511 Scalapack redistribute (14.20149s) stopped
T25 >> 1462794299.29284096 blocked summation (1454.36467s) started
T25 << 1462794300.51562810 blocked summation (1455.58745s) stopped
T25 >> 1462794300.52516198 Scalapack redistribute (14.20152s) started
T25 << 1462794300.77774596 Scalapack redistribute (14.45411s) stopped
T25 >> 1462794300.78127599 Redistribute (0.85854s) started
T25 << 1462794300.78266692 Redistribute (0.85993s) stopped
T25 >> 1462794302.90249610 Redistribute (0.85996s) started
T25 << 1462794302.90381789 Redistribute (0.86128s) stopped
T25 >> 1462794302.92479897 LCAO WFS Initialize (3563.10200s) started
T25 >> 1462794302.92486405 Density initialize from wavefunctions (710.63944s) started
T25 >> 1462794302.93036795 Calculate density matrix (483.19811s) started
T25 << 1462794312.89488411 Calculate density matrix (493.16263s) stopped
T25 >> 1462794312.89494109 Construct density (78.89864s) started
T25 << 1462794314.54183292 Construct density (80.54554s) stopped
T25 >> 1462794314.57695889 Symmetrize density (0.00375s) started
T25 << 1462794314.57701492 Symmetrize density (0.00380s) stopped
T25 << 1462794317.62481809 Density initialize from wavefunctions (725.33939s) stopped
T25 >> 1462794317.62619495 Hamiltonian (2851.40697s) started
T25 >> 1462794317.62624002 vbar (1.22965s) started
T25 << 1462794317.65386891 vbar (1.25728s) stopped
T25 >> 1462794317.65399504 XC 3D grid (1473.13285s) started
T25 >> 1462794318.16355300 van der Waals (1424.16430s) started
T25 >> 1462794318.29744411 semilocal (329.54429s) started
T25 << 1462794325.04460406 semilocal (336.29145s) stopped
T25 >> 1462794325.12344003 redistribute (148.63198s) started
T25 << 1462794326.52169204 redistribute (150.03024s) stopped
T25 >> 1462794326.52181506 libvdwxc nonlocal (936.01640s) started
T25 << 1462794345.60290790 libvdwxc nonlocal (955.09749s) stopped
T25 >> 1462794345.60297608 redistribute (150.03027s) started
T25 << 1462794347.29330492 redistribute (151.72060s) stopped
T25 << 1462794347.29530692 van der Waals (1453.29606s) stopped
T25 << 1462794347.78526998 XC 3D grid (1503.26413s) stopped
T25 >> 1462794347.78531289 Poisson (647.16986s) started
T25 << 1462794359.48655891 Poisson (658.87111s) stopped
T25 >> 1462794359.48665094 Hartree integrate/restrict (19.46472s) started
T25 << 1462794359.55190206 Hartree integrate/restrict (19.52997s) stopped
T25 >> 1462794359.55199003 Hartree integrate/restrict (19.53003s) started
T25 << 1462794359.92926693 Hartree integrate/restrict (19.90731s) stopped
T25 >> 1462794359.99015188 Atomic (684.29018s) started
T25 >> 1462794360.01307607 XC Correction (491.87659s) started
T25 << 1462794372.73545003 XC Correction (504.59896s) stopped
T25 << 1462794378.08675599 Atomic (702.38679s) stopped
T25 >> 1462794378.08709502 Communicate (23.12936s) started
T25 << 1462794378.08799410 Communicate (23.13026s) stopped
T25 << 1462794378.08801508 Hamiltonian (2911.86879s) stopped
T25 << 1462794378.08807707 LCAO WFS Initialize (3638.26528s) stopped
T25 << 1462794378.10031700 Initialization (6647.96490s) stopped
T25 >> 1462794378.13031292 SCF-cycle (86147.13600s) started
T25 >> 1462794378.13037205 LCAO eigensolver (27333.24551s) started
T25 >> 1462794378.13038492 Potential matrix (911.56643s) started
T25 << 1462794380.53785205 Potential matrix (913.97390s) stopped
T25 >> 1462794380.53794193 DistributedAtomicCorrection (389.22556s) started
T25 << 1462794381.60489798 DistributedAtomicCorrection (390.29252s) stopped
T25 >> 1462794381.60500908 Distribute overlap matrix (2149.03222s) started
T25 >> 1462794381.60503697 blocked summation (2102.82201s) started
T25 << 1462794387.61993504 blocked summation (2108.83691s) stopped
T25 >> 1462794387.62925410 Scalapack redistribute (42.57614s) started
T25 << 1462794387.72971392 Scalapack redistribute (42.67660s) stopped
T25 << 1462794387.72978306 Distribute overlap matrix (2155.15700s) stopped
T25 >> 1462794387.73427510 Blacs Orbital Layouts (22012.94577s) started
T25 >> 1462794387.74219704 General diagonalize (21920.07272s) started
T25 << 1462794445.61297798 General diagonalize (21977.94350s) stopped
T25 >> 1462794445.61303210 Redistribute coefs (7.56240s) started
T25 << 1462794445.62984300 Redistribute coefs (7.57922s) stopped
T25 >> 1462794445.62988710 Send coefs to domains (81.92503s) started
T25 << 1462794445.80670500 Send coefs to domains (82.10185s) stopped
T25 << 1462794445.80733109 Blacs Orbital Layouts (22071.01882s) stopped
T25 >> 1462794445.80735898 Calculate projections (1868.25080s) started
T25 << 1462794450.72406006 Calculate projections (1873.16751s) stopped
T25 << 1462794450.72441196 LCAO eigensolver (27405.83955s) stopped
T25 >> 1462794451.99547005 Density (5809.41788s) started
T25 >> 1462794451.99548411 Pseudo density (4752.07180s) started
T25 >> 1462794451.99688697 Calculate density matrix (4193.06797s) started
T25 << 1462794465.27364612 Calculate density matrix (4206.34473s) stopped
T25 >> 1462794465.27370596 Construct density (545.00322s) started
T25 << 1462794466.91869402 Construct density (546.64821s) stopped
T25 >> 1462794466.93205190 Symmetrize density (0.02623s) started
T25 << 1462794466.93210697 Symmetrize density (0.02629s) stopped
T25 << 1462794466.93417597 Pseudo density (4767.01050s) stopped
T25 >> 1462794466.93422890 Atomic density matrices (881.23917s) started
T25 << 1462794469.71779704 Atomic density matrices (884.02274s) stopped
T25 >> 1462794469.71784711 Multipole moments (3.41560s) started
T25 << 1462794469.73110294 Multipole moments (3.42886s) stopped
T25 >> 1462794469.73116708 Normalize (2.79595s) started
T25 << 1462794469.73848009 Normalize (2.80326s) stopped
T25 >> 1462794469.73853993 Mix (169.85493s) started
T25 << 1462794470.21811795 Mix (170.33451s) stopped
T25 << 1462794470.21821904 Density (5827.64063s) stopped
T25 >> 1462794470.21857095 Hamiltonian (52495.82665s) started
T25 >> 1462794470.21859908 vbar (9.15747s) started
T25 << 1462794470.24978304 vbar (9.18865s) stopped
T25 >> 1462794470.24989891 XC 3D grid (45561.70968s) started
T25 >> 1462794470.73347211 van der Waals (45230.07029s) started
T25 >> 1462794470.86498308 semilocal (34290.85713s) started
T25 << 1462794477.22615600 semilocal (34297.21831s) stopped
T25 >> 1462794477.33054495 redistribute (4512.47125s) started
T25 << 1462794479.07637095 redistribute (4514.21707s) stopped
T25 >> 1462794479.07649302 libvdwxc nonlocal (6356.16542s) started
T25 << 1462794498.69639802 libvdwxc nonlocal (6375.78532s) stopped
T25 >> 1462794498.69646001 redistribute (4514.21711s) started
T25 << 1462794500.35009789 redistribute (4515.87075s) stopped
T25 << 1462794500.35204506 van der Waals (45259.68886s) stopped
T25 << 1462794500.84007096 XC 3D grid (45592.29985s) stopped
T25 >> 1462794500.84011698 Poisson (2457.09998s) started
T25 << 1462794506.68107009 Poisson (2462.94094s) stopped
T25 >> 1462794506.68114805 Hartree integrate/restrict (129.71992s) started
T25 << 1462794506.73187709 Hartree integrate/restrict (129.77065s) stopped
T25 >> 1462794506.73193097 Hartree integrate/restrict (129.77068s) started
T25 << 1462794507.05788493 Hartree integrate/restrict (130.09664s) stopped
T25 >> 1462794507.11761808 Atomic (3931.51306s) started
T25 >> 1462794507.14018798 XC Correction (2918.96576s) started
T25 << 1462794519.58993602 XC Correction (2931.41551s) stopped
T25 << 1462794525.18554211 Atomic (3949.58099s) stopped
T25 >> 1462794525.18587399 Communicate (387.14303s) started
T25 << 1462794525.18605089 Communicate (387.14320s) stopped
T25 << 1462794525.18607402 Hamiltonian (52550.79415s) stopped
T25 >> 1462794525.18617702 LCAO eigensolver (27405.83957s) started
T25 >> 1462794525.18619299 Potential matrix (913.97395s) started
T25 << 1462794527.59692693 Potential matrix (916.38468s) stopped
T25 >> 1462794527.59703207 DistributedAtomicCorrection (390.29256s) started
T25 << 1462794528.67755103 DistributedAtomicCorrection (391.37307s) stopped
T25 >> 1462794528.67764902 Distribute overlap matrix (2155.15701s) started
T25 >> 1462794528.67767501 blocked summation (2108.83694s) started
T25 << 1462794534.73998189 blocked summation (2114.89925s) stopped
T25 >> 1462794534.74927092 Scalapack redistribute (42.67665s) started
T25 << 1462794534.84640789 Scalapack redistribute (42.77379s) stopped
T25 << 1462794534.84649801 Distribute overlap matrix (2161.32586s) stopped
T25 >> 1462794534.85174394 Blacs Orbital Layouts (22071.01884s) started
T25 >> 1462794534.85993099 General diagonalize (21977.94354s) started
T25 << 1462794594.40700412 General diagonalize (22037.49061s) stopped
T25 >> 1462794594.40708303 Redistribute coefs (7.57925s) started
T25 << 1462794594.42424011 Redistribute coefs (7.59641s) stopped
T25 >> 1462794594.42428207 Send coefs to domains (82.10189s) started
T25 << 1462794594.68873310 Send coefs to domains (82.36634s) stopped
T25 << 1462794594.68945193 Blacs Orbital Layouts (22130.85655s) stopped
T25 >> 1462794594.68948197 Calculate projections (1873.16756s) started
T25 << 1462794599.60768604 Calculate projections (1878.08576s) stopped
T25 << 1462794599.60808110 LCAO eigensolver (27480.26147s) stopped
T25 >> 1462794600.76932311 Density (5827.64065s) started
T25 >> 1462794600.76933789 Pseudo density (4767.01054s) started
T25 >> 1462794600.77114606 Calculate density matrix (4206.34477s) started
T25 << 1462794613.96111798 Calculate density matrix (4219.53474s) stopped
T25 >> 1462794613.96117806 Construct density (546.64826s) started
T25 << 1462794615.60791492 Construct density (548.29500s) stopped
T25 >> 1462794615.62136507 Symmetrize density (0.02630s) started
T25 << 1462794615.62142301 Symmetrize density (0.02636s) stopped
T25 << 1462794615.62346911 Pseudo density (4781.86467s) stopped
T25 >> 1462794615.62352300 Atomic density matrices (884.02277s) started
T25 << 1462794618.41429806 Atomic density matrices (886.81354s) stopped
T25 >> 1462794618.41434908 Multipole moments (3.42887s) started
T25 << 1462794618.42910504 Multipole moments (3.44363s) stopped
T25 >> 1462794618.42916799 Normalize (2.80331s) started
T25 << 1462794618.43665695 Normalize (2.81079s) stopped
T25 >> 1462794618.43670297 Mix (170.33460s) started
T25 << 1462794618.89612389 Mix (170.79402s) stopped
T25 << 1462794618.89620399 Density (5845.76753s) stopped
T25 >> 1462794618.89650297 Hamiltonian (52550.79417s) started
T25 >> 1462794618.89651990 vbar (9.18872s) started
T25 << 1462794618.92023110 vbar (9.21243s) stopped
T25 >> 1462794618.92037392 XC 3D grid (45592.29989s) started
T25 >> 1462794619.45101190 van der Waals (45259.68894s) started
T25 >> 1462794619.58534098 semilocal (34297.21843s) started
T25 << 1462794626.16616011 semilocal (34303.79925s) stopped
T25 >> 1462794626.26859808 redistribute (4515.87080s) started
T25 << 1462794627.57385302 redistribute (4517.17606s) stopped
T25 >> 1462794627.57397509 libvdwxc nonlocal (6375.78537s) started
T25 << 1462794646.80484605 libvdwxc nonlocal (6395.01624s) stopped
T25 >> 1462794646.80494595 redistribute (4517.17609s) started
T25 << 1462794648.67591405 redistribute (4519.04706s) stopped
T25 << 1462794648.67743707 van der Waals (45288.91537s) stopped
T25 << 1462794649.17455697 XC 3D grid (45622.55407s) stopped
T25 >> 1462794649.17460299 Poisson (2462.94099s) started
T25 << 1462794655.01567888 Poisson (2468.78207s) stopped
T25 >> 1462794655.01576209 Hartree integrate/restrict (130.09667s) started
T25 << 1462794655.05780101 Hartree integrate/restrict (130.13871s) stopped
T25 >> 1462794655.05793095 Hartree integrate/restrict (130.13880s) started
T25 << 1462794655.40218997 Hartree integrate/restrict (130.48306s) stopped
T25 >> 1462794655.45982790 Atomic (3949.58101s) started
T25 >> 1462794655.48219109 XC Correction (2931.41554s) started
T25 << 1462794667.46987104 XC Correction (2943.40322s) stopped
T25 << 1462794673.18885493 Atomic (3967.31004s) stopped
T25 >> 1462794673.18921208 Communicate (387.14322s) started
T25 << 1462794673.18933105 Communicate (387.14334s) stopped
T25 << 1462794673.18935394 Hamiltonian (52605.08702s) stopped
T25 >> 1462794673.18945599 LCAO eigensolver (27480.26149s) started
T25 >> 1462794673.18947101 Potential matrix (916.38475s) started
T25 << 1462794675.58938599 Potential matrix (918.78466s) stopped
T25 >> 1462794675.58946991 DistributedAtomicCorrection (391.37311s) started
T25 << 1462794676.67883110 DistributedAtomicCorrection (392.46248s) stopped
T25 >> 1462794676.67892504 Distribute overlap matrix (2161.32587s) started
T25 >> 1462794676.67894793 blocked summation (2114.89928s) started
T25 << 1462794682.65902710 blocked summation (2120.87936s) stopped
T25 >> 1462794682.66857600 Scalapack redistribute (42.77385s) started
T25 << 1462794682.75797105 Scalapack redistribute (42.86325s) stopped
T25 << 1462794682.75807691 Distribute overlap matrix (2167.40503s) stopped
T25 >> 1462794682.76262903 Blacs Orbital Layouts (22130.85657s) started
T25 >> 1462794682.77069592 General diagonalize (22037.49068s) started
T25 << 1462794740.63483596 General diagonalize (22095.35482s) stopped
T25 >> 1462794740.63488293 Redistribute coefs (7.59644s) started
T25 << 1462794740.66511798 Redistribute coefs (7.62668s) stopped
T25 >> 1462794740.66515803 Send coefs to domains (82.36638s) started
T25 << 1462794740.96855998 Send coefs to domains (82.66978s) stopped
T25 << 1462794740.96911192 Blacs Orbital Layouts (22189.06306s) stopped
T25 >> 1462794740.96914101 Calculate projections (1878.08581s) started
T25 << 1462794745.94406104 Calculate projections (1883.06073s) stopped
T25 << 1462794745.94427705 LCAO eigensolver (27553.01631s) stopped
T25 >> 1462794747.01584411 Density (5845.76755s) started
T25 >> 1462794747.01586103 Pseudo density (4781.86471s) started
T25 >> 1462794747.01775694 Calculate density matrix (4219.53477s) started
T25 << 1462794760.92005610 Calculate density matrix (4233.43707s) stopped
T25 >> 1462794760.92011404 Construct density (548.29505s) started
T25 << 1462794762.56273007 Construct density (549.93767s) stopped
T25 >> 1462794762.57675409 Symmetrize density (0.02638s) started
T25 << 1462794762.57681608 Symmetrize density (0.02644s) stopped
T25 << 1462794762.57913494 Pseudo density (4797.42799s) stopped
T25 >> 1462794762.57919598 Atomic density matrices (886.81357s) started
T25 << 1462794765.36407995 Atomic density matrices (889.59845s) stopped
T25 >> 1462794765.36413097 Multipole moments (3.44365s) started
T25 << 1462794765.37782598 Multipole moments (3.45734s) stopped
T25 >> 1462794765.37789106 Normalize (2.81083s) started
T25 << 1462794765.38904691 Normalize (2.82198s) stopped
T25 >> 1462794765.38914490 Mix (170.79410s) started
T25 << 1462794765.89173794 Mix (171.29669s) stopped
T25 << 1462794765.89184904 Density (5864.64355s) stopped
T25 >> 1462794765.89215589 Hamiltonian (52605.08703s) started
T25 >> 1462794765.89217496 vbar (9.21251s) started
T25 << 1462794765.91743803 vbar (9.23778s) stopped
T25 >> 1462794765.91755891 XC 3D grid (45622.55410s) started
T25 >> 1462794766.39656496 van der Waals (45288.91542s) started
T25 >> 1462794766.53054094 semilocal (34303.79935s) started
T25 << 1462794773.39984393 semilocal (34310.66865s) stopped
T25 >> 1462794773.47136497 redistribute (4519.04712s) started
T25 << 1462794783.16545296 redistribute (4528.74121s) stopped
T25 >> 1462794783.16557407 libvdwxc nonlocal (6395.01632s) started
T25 << 1462794802.21853495 libvdwxc nonlocal (6414.06929s) stopped
T25 >> 1462794802.21860504 redistribute (4528.74124s) started
T25 << 1462794804.17147589 redistribute (4530.69411s) stopped
T25 << 1462794804.17296410 van der Waals (45326.69182s) stopped
T25 << 1462794804.67389011 XC 3D grid (45661.31044s) stopped
T25 >> 1462794804.67393303 Poisson (2468.78213s) started
T25 << 1462794810.50960112 Poisson (2474.61780s) stopped
T25 >> 1462794810.50966191 Hartree integrate/restrict (130.48309s) started
T25 << 1462794810.54832101 Hartree integrate/restrict (130.52175s) stopped
T25 >> 1462794810.54854202 Hartree integrate/restrict (130.52191s) started
T25 << 1462794810.89848495 Hartree integrate/restrict (130.87185s) stopped
T25 >> 1462794810.95436907 Atomic (3967.31006s) started
T25 >> 1462794810.97732401 XC Correction (2943.40325s) started
T25 << 1462794822.96732092 XC Correction (2955.39324s) stopped
T25 << 1462794827.85432601 Atomic (3984.21002s) stopped
T25 >> 1462794827.85467100 Communicate (387.14335s) started
T25 << 1462794827.89209199 Communicate (387.18077s) stopped
T25 << 1462794827.89211607 Hamiltonian (52667.08699s) stopped
T25 >> 1462794827.89222002 LCAO eigensolver (27553.01633s) started
T25 >> 1462794827.89223599 Potential matrix (918.78471s) started
T25 << 1462794830.29668808 Potential matrix (921.18916s) stopped
T25 >> 1462794830.29678512 DistributedAtomicCorrection (392.46251s) started
T25 << 1462794831.38154292 DistributedAtomicCorrection (393.54727s) stopped
T25 >> 1462794831.38164091 Distribute overlap matrix (2167.40504s) started
T25 >> 1462794831.38166690 blocked summation (2120.87940s) started
T25 << 1462794837.51153207 blocked summation (2127.00926s) stopped
T25 >> 1462794837.52072692 Scalapack redistribute (42.86331s) started
T25 << 1462794837.64709711 Scalapack redistribute (42.98968s) stopped
T25 << 1462794837.64720201 Distribute overlap matrix (2173.67060s) stopped
T25 >> 1462794837.65218306 Blacs Orbital Layouts (22189.06307s) started
T25 >> 1462794837.66065407 General diagonalize (22095.35486s) started
T25 << 1462794896.65448904 General diagonalize (22154.34869s) stopped
T25 >> 1462794896.65453410 Redistribute coefs (7.62671s) started
T25 << 1462794896.67111397 Redistribute coefs (7.64329s) stopped
T25 >> 1462794896.67115498 Send coefs to domains (82.66981s) started
T25 << 1462794896.78089595 Send coefs to domains (82.77956s) stopped
T25 << 1462794896.78144312 Blacs Orbital Layouts (22248.19233s) stopped
T25 >> 1462794896.78147602 Calculate projections (1883.06079s) started
T25 << 1462794901.76787710 Calculate projections (1888.04719s) stopped
T25 << 1462794901.76806402 LCAO eigensolver (27626.89218s) stopped
T25 >> 1462794902.79743600 Density (5864.64357s) started
T25 >> 1462794902.79745197 Pseudo density (4797.42804s) started
T25 >> 1462794902.79943705 Calculate density matrix (4233.43711s) started
T25 << 1462794915.89282489 Calculate density matrix (4246.53050s) stopped
T25 >> 1462794915.89292312 Construct density (549.93772s) started
T25 << 1462794917.54718590 Construct density (551.59199s) stopped
T25 >> 1462794917.64392209 Symmetrize density (0.02646s) started
T25 << 1462794917.64399004 Symmetrize density (0.02653s) stopped
T25 << 1462794917.64635706 Pseudo density (4812.27694s) stopped
T25 >> 1462794917.64641595 Atomic density matrices (889.59847s) started
T25 << 1462794920.35993910 Atomic density matrices (892.31200s) stopped
T25 >> 1462794920.35999393 Multipole moments (3.45736s) started
T25 << 1462794920.37349391 Multipole moments (3.47086s) stopped
T25 >> 1462794920.37356091 Normalize (2.82206s) started
T25 << 1462794920.38442707 Normalize (2.83293s) stopped
T25 >> 1462794920.38455009 Mix (171.29680s) started
T25 << 1462794920.90625501 Mix (171.81851s) stopped
T25 << 1462794920.90635896 Density (5882.75249s) stopped
T25 >> 1462794920.90677309 Hamiltonian (52667.08701s) started
T25 >> 1462794920.90679312 vbar (9.23784s) started
T25 << 1462794920.93569207 vbar (9.26674s) stopped
T25 >> 1462794920.93582201 XC 3D grid (45661.31047s) started
T25 >> 1462794921.41759491 van der Waals (45326.69189s) started
T25 >> 1462794921.54933691 semilocal (34310.66874s) started
T25 << 1462795516.95567703 semilocal (34906.07508s) stopped
T25 >> 1462795517.03313494 redistribute (4530.69418s) started
T25 << 1462795517.99847698 redistribute (4531.65953s) stopped
T25 >> 1462795517.99859905 libvdwxc nonlocal (6414.06934s) started
T25 << 1462795537.13339210 libvdwxc nonlocal (6433.20413s) stopped
T25 >> 1462795537.13346291 redistribute (4531.65956s) started
T25 << 1462795539.18849492 redistribute (4533.71459s) stopped
T25 << 1462795539.18990588 van der Waals (45944.46420s) stopped
T25 << 1462795539.68705106 XC 3D grid (46280.06170s) stopped
T25 >> 1462795539.68710494 Poisson (2474.61784s) started
T25 << 1462795544.06775403 Poisson (2478.99849s) stopped
T25 >> 1462795544.06785202 Hartree integrate/restrict (130.87188s) started
T25 << 1462795544.10675097 Hartree integrate/restrict (130.91078s) stopped
T25 >> 1462795544.10691595 Hartree integrate/restrict (130.91089s) started
T25 << 1462795544.46503210 Hartree integrate/restrict (131.26901s) stopped
T25 >> 1462795544.52475309 Atomic (3984.21004s) started
T25 >> 1462795544.54749107 XC Correction (2955.39328s) started
T25 << 1462795556.57479501 XC Correction (2967.42058s) stopped
T25 << 1462795561.11667204 Atomic (4000.80196s) stopped
T25 >> 1462795561.11698198 Communicate (387.18078s) started
T25 << 1462795561.32238007 Communicate (387.38618s) stopped
T25 << 1462795561.32240391 Hamiltonian (53307.50264s) stopped
T25 >> 1462795561.32251000 LCAO eigensolver (27626.89219s) started
T25 >> 1462795561.32252502 Potential matrix (921.18922s) started
T25 << 1462795563.73806095 Potential matrix (923.60475s) stopped
T25 >> 1462795563.73816109 DistributedAtomicCorrection (393.54731s) started
T25 << 1462795564.85527110 DistributedAtomicCorrection (394.66442s) stopped
T25 >> 1462795564.85537100 Distribute overlap matrix (2173.67061s) started
T25 >> 1462795564.85539699 blocked summation (2127.00930s) started
T25 << 1462795570.96402192 blocked summation (2133.11792s) stopped
T25 >> 1462795570.97359204 Scalapack redistribute (42.98975s) started
T25 << 1462795571.07065701 Scalapack redistribute (43.08681s) stopped
T25 << 1462795571.07075191 Distribute overlap matrix (2179.88599s) stopped
T25 >> 1462795571.07623506 Blacs Orbital Layouts (22248.19236s) started
T25 >> 1462795571.08543992 General diagonalize (22154.34873s) started
T25 << 1462795632.39992309 General diagonalize (22215.66322s) stopped
T25 >> 1462795632.40026903 Redistribute coefs (7.64332s) started
T25 << 1462795632.41618896 Redistribute coefs (7.65924s) stopped
T25 >> 1462795632.41623306 Send coefs to domains (82.77959s) started
T25 << 1462795632.66001105 Send coefs to domains (83.02337s) stopped
T25 << 1462795632.66052103 Blacs Orbital Layouts (22309.77664s) stopped
T25 >> 1462795632.66055107 Calculate projections (1888.04725s) started
T25 << 1462795637.64732409 Calculate projections (1893.03402s) stopped
T25 << 1462795637.64766407 LCAO eigensolver (27703.21735s) stopped
T25 >> 1462795638.69826198 Density (5882.75258s) started
T25 >> 1462795638.69827700 Pseudo density (4812.27699s) started
T25 >> 1462795638.70090389 Calculate density matrix (4246.53053s) started
T25 << 1462795651.85261798 Calculate density matrix (4259.68225s) stopped
T25 >> 1462795651.85270190 Construct density (551.59204s) started
T25 << 1462795653.50940108 Construct density (553.24874s) stopped
T25 >> 1462795653.53560209 Symmetrize density (0.02655s) started
T25 << 1462795653.53566504 Symmetrize density (0.02661s) stopped
T25 << 1462795653.53804207 Pseudo density (4827.11675s) stopped
T25 >> 1462795653.53810310 Atomic density matrices (892.31202s) started
T25 << 1462795656.30112696 Atomic density matrices (895.07505s) stopped
T25 >> 1462795656.30117798 Multipole moments (3.47088s) started
T25 << 1462795656.31454992 Multipole moments (3.48425s) stopped
T25 >> 1462795656.31461692 Normalize (2.83303s) started
T25 << 1462795656.32482600 Normalize (2.84324s) stopped
T25 >> 1462795656.32494998 Mix (171.81861s) started
T25 << 1462795656.85891795 Mix (172.35258s) stopped
T25 << 1462795656.85900307 Density (5900.91332s) stopped
T25 >> 1462795656.85927701 Hamiltonian (53307.50265s) started
T25 >> 1462795656.85929894 vbar (9.26682s) started
T25 << 1462795656.88957691 vbar (9.29709s) stopped
T25 >> 1462795656.88975096 XC 3D grid (46280.06174s) started
T25 >> 1462795657.37747192 van der Waals (45944.46428s) started
T25 >> 1462795657.51116204 semilocal (34906.07516s) started
T25 << 1462797077.89954901 semilocal (36326.46355s) stopped
T25 >> 1462797077.96655393 redistribute (4533.71466s) started
T25 << 1462797079.28096104 redistribute (4535.02907s) stopped
T25 >> 1462797079.28108597 libvdwxc nonlocal (6433.20419s) started
T25 << 1462797098.03199291 libvdwxc nonlocal (6451.95509s) stopped
T25 >> 1462797098.03206611 redistribute (4535.02910s) started
T25 << 1462797100.03580189 redistribute (4537.03284s) stopped
T25 << 1462797100.03787088 van der Waals (47387.12468s) stopped
T25 << 1462797100.52746606 XC 3D grid (47723.69945s) stopped
T25 >> 1462797100.52751493 Poisson (2478.99856s) started
T25 << 1462797105.08172607 Poisson (2483.55277s) stopped
T25 >> 1462797105.08180404 Hartree integrate/restrict (131.26906s) started
T25 << 1462797105.12048197 Hartree integrate/restrict (131.30774s) stopped
T25 >> 1462797105.12063003 Hartree integrate/restrict (131.30785s) started
T25 << 1462797105.46809411 Hartree integrate/restrict (131.65531s) stopped
T25 >> 1462797105.52902102 Atomic (4000.80198s) started
T25 >> 1462797105.55241394 XC Correction (2967.42061s) started
T25 << 1462797117.80192304 XC Correction (2979.67012s) stopped
T25 << 1462797122.08112001 Atomic (4017.35408s) stopped
T25 >> 1462797122.08147192 Communicate (387.38620s) started
T25 << 1462797122.41636705 Communicate (387.72109s) stopped
T25 << 1462797122.41639495 Hamiltonian (54773.05977s) stopped
T25 >> 1462797122.41654301 LCAO eigensolver (27703.21736s) started
T25 >> 1462797122.41655898 Potential matrix (923.60481s) started
T25 << 1462797124.82421207 Potential matrix (926.01246s) stopped
T25 >> 1462797124.82431197 DistributedAtomicCorrection (394.66446s) started
T25 << 1462797125.91456294 DistributedAtomicCorrection (395.75471s) stopped
T25 >> 1462797125.91466093 Distribute overlap matrix (2179.88601s) started
T25 >> 1462797125.91468692 blocked summation (2133.11795s) started
T25 << 1462797131.93576002 blocked summation (2139.13903s) stopped
T25 >> 1462797131.94538808 Scalapack redistribute (43.08686s) started
T25 << 1462797132.05133390 Scalapack redistribute (43.19281s) stopped
T25 << 1462797132.05142307 Distribute overlap matrix (2186.02277s) stopped
T25 >> 1462797132.05692911 Blacs Orbital Layouts (22309.77666s) started
T25 >> 1462797132.06515598 General diagonalize (22215.66355s) started
T25 << 1462797192.11725497 General diagonalize (22275.71565s) stopped
T25 >> 1462797192.11733699 Redistribute coefs (7.65927s) started
T25 << 1462797192.17277002 Redistribute coefs (7.71470s) stopped
T25 >> 1462797192.17280793 Send coefs to domains (83.02340s) started
T25 << 1462797192.55401707 Send coefs to domains (83.40461s) stopped
T25 << 1462797192.55470705 Blacs Orbital Layouts (22370.27444s) stopped
T25 >> 1462797192.55473590 Calculate projections (1893.03408s) started
T25 << 1462797197.47174191 Calculate projections (1897.95108s) stopped
T25 << 1462797197.47215009 LCAO eigensolver (27778.27297s) stopped
T25 << 1462797198.55463791 SCF-cycle (88967.56032s) stopped
T25 >> 1462797201.73057508 Force calculation (4276.96540s) started
T25 >> 1462797201.73064804 LCAO forces (3840.37549s) started
T25 >> 1462797201.73100996 Initial (0.00109s) started
T25 << 1462797201.73102498 Initial (0.00110s) stopped
T25 >> 1462797201.74349904 Get density matrix (1790.72193s) started
T25 << 1462797211.27310109 Get density matrix (1800.25153s) stopped
T25 >> 1462797211.27314401 Potential (610.30559s) started
T25 << 1462797223.71381497 Potential (622.74627s) stopped
T25 >> 1462797223.71387100 Get density matrix (1800.25157s) started
T25 << 1462797250.87959099 Get density matrix (1827.41729s) stopped
T25 >> 1462797250.87966609 Prepare TCI loop (122.71943s) started
T25 >> 1462797250.88025594 Get neighbors (109.67465s) started
T25 << 1462797253.14822698 Get neighbors (111.94262s) stopped
T25 >> 1462797253.14953494 broadcast dH (12.97981s) started
T25 << 1462797253.62976599 broadcast dH (13.46004s) stopped
T25 << 1462797253.62981606 Prepare TCI loop (125.46958s) stopped
T25 >> 1462797253.62983489 Not so complicated loop (515.33751s) started
T25 << 1462797264.18188500 Not so complicated loop (525.88956s) stopped
T25 >> 1462797264.29748607 Complicated loop (794.94471s) started
T25 << 1462797280.70788598 Complicated loop (811.35511s) stopped
T25 >> 1462797280.71122003 Wait for sum (0.00519s) started
T25 << 1462797280.71131396 Wait for sum (0.00529s) stopped
T25 << 1462797280.71132803 LCAO forces (3919.35617s) stopped
T25 << 1462797290.18172598 Force calculation (4365.41655s) stopped
T25 >> 1462797290.20323706 Initialization (6647.96492s) started
T25 << 1462797290.20345092 Initialization (6647.96513s) stopped
T25 >> 1462797290.20373607 Initialization (6647.96515s) started
T25 << 1462797290.20388508 Initialization (6647.96530s) stopped
T25 >> 1462797290.20404005 Initialization (6647.96531s) started
T25 << 1462797290.20419407 Initialization (6647.96547s) stopped
T25 >> 1462797313.57591796 Initialization (6647.96549s) started
T25 >> 1462797313.80663896 Basic WFS set positions (7.30078s) started
T25 >> 1462797313.80666304 Redistribute (0.29573s) started
T25 << 1462797313.80679703 Redistribute (0.29587s) stopped
T25 << 1462797313.97629809 Basic WFS set positions (7.47044s) stopped
T25 >> 1462797313.97636104 Basis functions set positions (105.39098s) started
T25 << 1462797316.32395601 Basis functions set positions (107.73858s) stopped
T25 >> 1462797316.33229208 TCI: Calculate S, T, P (1304.98904s) started
T25 << 1462797344.71170092 TCI: Calculate S, T, P (1333.36845s) stopped
T25 >> 1462797344.71180797 blocked summation (1455.58749s) started
T25 << 1462797380.71482301 blocked summation (1491.59050s) stopped
T25 >> 1462797380.73225093 Scalapack redistribute (14.45415s) started
T25 << 1462797380.81943703 Scalapack redistribute (14.54134s) stopped
T25 >> 1462797380.82037807 blocked summation (1491.59054s) started
T25 << 1462797382.25469995 blocked summation (1493.02486s) stopped
T25 >> 1462797382.26401305 Scalapack redistribute (14.54139s) started
T25 << 1462797382.35631990 Scalapack redistribute (14.63370s) stopped
T25 >> 1462797382.35903811 Redistribute (0.86132s) started
T25 << 1462797382.36027098 Redistribute (0.86255s) stopped
T25 >> 1462797384.38080192 Redistribute (0.86257s) started
T25 << 1462797384.38210797 Redistribute (0.86387s) stopped
T25 >> 1462797384.41388106 LCAO WFS Initialize (3638.26529s) started
T25 >> 1462797384.41391301 Density initialize from wavefunctions (725.33951s) started
T25 >> 1462797384.41696405 Calculate density matrix (493.16266s) started
T25 << 1462797394.40402007 Calculate density matrix (503.14972s) stopped
T25 >> 1462797394.40407395 Construct density (80.54559s) started
T25 << 1462797396.06786108 Construct density (82.20938s) stopped
T25 >> 1462797396.08098412 Symmetrize density (0.00382s) started
T25 << 1462797396.08104897 Symmetrize density (0.00389s) stopped
T25 << 1462797399.15833211 Density initialize from wavefunctions (740.08393s) stopped
T25 >> 1462797399.15942597 Hamiltonian (2911.86881s) started
T25 >> 1462797399.15949297 vbar (1.25735s) started
T25 << 1462797399.18693399 vbar (1.28479s) stopped
T25 >> 1462797399.18709302 XC 3D grid (1503.26416s) started
T25 >> 1462797399.68032694 van der Waals (1453.29613s) started
T25 >> 1462797399.81486392 semilocal (336.29152s) started
T25 << 1462797407.11519194 semilocal (343.59185s) stopped
T25 >> 1462797407.17886710 redistribute (151.72067s) started
T25 << 1462797408.09322309 redistribute (152.63503s) stopped
T25 >> 1462797408.09334993 libvdwxc nonlocal (955.09754s) started
T25 << 1462797427.26669502 libvdwxc nonlocal (974.27088s) stopped
T25 >> 1462797427.26674891 redistribute (152.63506s) started
T25 << 1462797429.26633191 redistribute (154.63464s) stopped
T25 << 1462797429.26770806 van der Waals (1482.88352s) stopped
T25 << 1462797429.75934196 XC 3D grid (1533.83641s) stopped
T25 >> 1462797429.75938511 Poisson (658.87118s) started
T25 << 1462797441.50618410 Poisson (670.61798s) stopped
T25 >> 1462797441.50625396 Hartree integrate/restrict (19.90735s) started
T25 << 1462797441.56802106 Hartree integrate/restrict (19.96912s) stopped
T25 >> 1462797441.56816411 Hartree integrate/restrict (19.96922s) started
T25 << 1462797441.94300103 Hartree integrate/restrict (20.34405s) stopped
T25 >> 1462797442.00361991 Atomic (702.38681s) started
T25 >> 1462797442.02731705 XC Correction (504.59901s) started
T25 << 1462797454.57010198 XC Correction (517.14179s) stopped
T25 << 1462797460.31205392 Atomic (720.69524s) stopped
T25 >> 1462797460.31247401 Communicate (23.13027s) started
T25 << 1462797460.31259298 Communicate (23.13039s) stopped
T25 << 1462797460.31261611 Hamiltonian (2973.02200s) stopped
T25 << 1462797460.31267595 LCAO WFS Initialize (3714.16409s) stopped
T25 << 1462797460.32530808 Initialization (6794.71488s) stopped
T25 >> 1462797460.35566902 SCF-cycle (88967.56035s) started
T25 >> 1462797460.35572505 LCAO eigensolver (27778.27299s) started
T25 >> 1462797460.35573792 Potential matrix (926.01252s) started
T25 << 1462797462.76359892 Potential matrix (928.42038s) stopped
T25 >> 1462797462.76368809 DistributedAtomicCorrection (395.75475s) started
T25 << 1462797463.82666993 DistributedAtomicCorrection (396.81774s) stopped
T25 >> 1462797463.82676291 Distribute overlap matrix (2186.02278s) started
T25 >> 1462797463.82678604 blocked summation (2139.13906s) started
T25 << 1462797469.83417010 blocked summation (2145.14644s) stopped
T25 >> 1462797469.84396005 Scalapack redistribute (43.19286s) started
T25 << 1462797469.95186496 Scalapack redistribute (43.30077s) stopped
T25 << 1462797469.95196700 Distribute overlap matrix (2192.14799s) stopped
T25 >> 1462797469.95621800 Blacs Orbital Layouts (22370.27446s) started
T25 >> 1462797469.96430898 General diagonalize (22275.71572s) started
T25 << 1462797527.61605906 General diagonalize (22333.36747s) stopped
T25 >> 1462797527.61613393 Redistribute coefs (7.71473s) started
T25 << 1462797527.64278793 Redistribute coefs (7.74139s) stopped
T25 >> 1462797527.64282608 Send coefs to domains (83.40465s) started
T25 << 1462797527.81143188 Send coefs to domains (83.57326s) stopped
T25 << 1462797527.81204200 Blacs Orbital Layouts (22428.13028s) stopped
T25 >> 1462797527.81207108 Calculate projections (1897.95113s) started
T25 << 1462797532.79164791 Calculate projections (1902.93071s) stopped
T25 << 1462797532.79206204 LCAO eigensolver (27850.70933s) stopped
T25 >> 1462797533.80243111 Density (5900.91333s) started
T25 >> 1462797533.80244589 Pseudo density (4827.11680s) started
T25 >> 1462797533.80379391 Calculate density matrix (4259.68229s) started
T25 << 1462797547.04396391 Calculate density matrix (4272.92246s) stopped
T25 >> 1462797547.04401898 Construct density (553.24880s) started
T25 << 1462797548.70250797 Construct density (554.90729s) stopped
T25 >> 1462797548.71588612 Symmetrize density (0.02663s) started
T25 << 1462797548.71595001 Symmetrize density (0.02669s) stopped
T25 << 1462797548.71808100 Pseudo density (4842.03244s) stopped
T25 >> 1462797548.71813893 Atomic density matrices (895.07507s) started
T25 << 1462797551.40344191 Atomic density matrices (897.76037s) stopped
T25 >> 1462797551.40349293 Multipole moments (3.48427s) started
T25 << 1462797551.41864610 Multipole moments (3.49942s) stopped
T25 >> 1462797551.41871309 Normalize (2.84334s) started
T25 << 1462797551.42592001 Normalize (2.85055s) stopped
T25 >> 1462797551.42603397 Mix (172.35266s) started
T25 << 1462797551.88854194 Mix (172.81517s) stopped
T25 << 1462797551.88860893 Density (5918.99951s) stopped
T25 >> 1462797551.88889694 Hamiltonian (54773.05978s) started
T25 >> 1462797551.88898802 vbar (9.29720s) started
T25 << 1462797551.92163897 vbar (9.32985s) stopped
T25 >> 1462797551.92174911 XC 3D grid (47723.69949s) started
T25 >> 1462797552.41775203 van der Waals (47387.12473s) started
T25 >> 1462797552.55085707 semilocal (36326.46363s) started
T25 << 1462797559.73322701 semilocal (36333.64600s) stopped
T25 >> 1462797559.80761695 redistribute (4537.03289s) started
T25 << 1462797560.74782610 redistribute (4537.97310s) stopped
T25 >> 1462797560.74795389 libvdwxc nonlocal (6451.95515s) started
T25 << 1462797580.27410007 libvdwxc nonlocal (6471.48130s) stopped
T25 >> 1462797580.27416611 redistribute (4537.97313s) started
T25 << 1462797582.47527003 redistribute (4540.17424s) stopped
T25 << 1462797582.47667289 van der Waals (47417.18365s) stopped
T25 << 1462797582.96823907 XC 3D grid (47754.74598s) stopped
T25 >> 1462797582.96829796 Poisson (2483.55283s) started
T25 << 1462797588.36606193 Poisson (2488.95059s) stopped
T25 >> 1462797588.36618900 Hartree integrate/restrict (131.65537s) started
T25 << 1462797588.39623094 Hartree integrate/restrict (131.68541s) stopped
T25 >> 1462797588.39631009 Hartree integrate/restrict (131.68546s) started
T25 << 1462797588.78222489 Hartree integrate/restrict (132.07137s) stopped
T25 >> 1462797588.83709598 Atomic (4017.35410s) started
T25 >> 1462797588.86025190 XC Correction (2979.67015s) started
T25 << 1462797601.18525910 XC Correction (2991.99516s) stopped
T25 << 1462797607.33682108 Atomic (4035.85383s) stopped
T25 >> 1462797607.33711290 Communicate (387.72111s) started
T25 << 1462797607.33791900 Communicate (387.72192s) stopped
T25 << 1462797607.33794093 Hamiltonian (54828.50883s) stopped
T25 >> 1462797607.33804488 LCAO eigensolver (27850.70935s) started
T25 >> 1462797607.33805990 Potential matrix (928.42043s) started
T25 << 1462797609.75418210 Potential matrix (930.83655s) stopped
T25 >> 1462797609.75427198 DistributedAtomicCorrection (396.81777s) started
T25 << 1462797610.79447603 DistributedAtomicCorrection (397.85798s) stopped
T25 >> 1462797610.79456711 Distribute overlap matrix (2192.14800s) started
T25 >> 1462797610.79459000 blocked summation (2145.14647s) started
T25 << 1462797616.96623898 blocked summation (2151.31812s) stopped
T25 >> 1462797616.97593689 Scalapack redistribute (43.30082s) started
T25 << 1462797617.09760094 Scalapack redistribute (43.42249s) stopped
T25 << 1462797617.09769392 Distribute overlap matrix (2198.45113s) stopped
T25 >> 1462797617.10236597 Blacs Orbital Layouts (22428.13030s) started
T25 >> 1462797617.11080098 General diagonalize (22333.36753s) started
T25 << 1462797675.17444611 General diagonalize (22391.43118s) stopped
T25 >> 1462797675.17449498 Redistribute coefs (7.74142s) started
T25 << 1462797675.19089794 Redistribute coefs (7.75782s) stopped
T25 >> 1462797675.19094396 Send coefs to domains (83.57330s) started
T25 << 1462797675.33516502 Send coefs to domains (83.71752s) stopped
T25 << 1462797675.33567190 Blacs Orbital Layouts (22486.36361s) stopped
T25 >> 1462797675.33571696 Calculate projections (1902.93077s) started
T25 << 1462797680.23698592 Calculate projections (1907.83204s) stopped
T25 << 1462797680.23733997 LCAO eigensolver (27923.60864s) stopped
T25 >> 1462797681.76008606 Density (5918.99952s) started
T25 >> 1462797681.76010203 Pseudo density (4842.03249s) started
T25 >> 1462797681.76183796 Calculate density matrix (4272.92249s) started
T25 << 1462797694.85974908 Calculate density matrix (4286.02040s) stopped
T25 >> 1462797694.85980511 Construct density (554.90734s) started
T25 << 1462797696.50889397 Construct density (556.55643s) stopped
T25 >> 1462797696.52302098 Symmetrize density (0.02671s) started
T25 << 1462797696.52308106 Symmetrize density (0.02677s) stopped
T25 << 1462797696.52545404 Pseudo density (4856.79784s) stopped
T25 >> 1462797696.52550697 Atomic density matrices (897.76040s) started
T25 << 1462797699.24449897 Atomic density matrices (900.47939s) stopped
T25 >> 1462797699.24454904 Multipole moments (3.49944s) started
T25 << 1462797699.25801802 Multipole moments (3.51291s) stopped
T25 >> 1462797699.25808811 Normalize (2.85064s) started
T25 << 1462797699.26779604 Normalize (2.86035s) stopped
T25 >> 1462797699.26785398 Mix (172.81523s) started
T25 << 1462797699.82638407 Mix (173.37376s) stopped
T25 << 1462797699.82644391 Density (5937.06588s) stopped
T25 >> 1462797699.82664490 Hamiltonian (54828.50884s) started
T25 >> 1462797699.82666111 vbar (9.32991s) started
T25 << 1462797699.84415507 vbar (9.34740s) stopped
T25 >> 1462797699.84424591 XC 3D grid (47754.74603s) started
T25 >> 1462797700.33078909 van der Waals (47417.18369s) started
T25 >> 1462797700.46485710 semilocal (36333.64606s) started
T25 << 1462797706.88193297 semilocal (36340.06314s) stopped
T25 >> 1462797706.97508693 redistribute (4540.17428s) started
T25 << 1462797708.50951791 redistribute (4541.70871s) stopped
T25 >> 1462797708.50964594 libvdwxc nonlocal (6471.48135s) started
T25 << 1462797728.10522199 libvdwxc nonlocal (6491.07692s) stopped
T25 >> 1462797728.10528588 redistribute (4541.70875s) started
T25 << 1462797729.72585392 redistribute (4543.32932s) stopped
T25 << 1462797729.72828007 van der Waals (47446.58118s) stopped
T25 << 1462797730.21854997 XC 3D grid (47785.12033s) stopped
T25 >> 1462797730.21859503 Poisson (2488.95069s) started
T25 << 1462797736.13754702 Poisson (2494.86964s) stopped
T25 >> 1462797736.13761210 Hartree integrate/restrict (132.07141s) started
T25 << 1462797736.20100689 Hartree integrate/restrict (132.13481s) stopped
T25 >> 1462797736.20106101 Hartree integrate/restrict (132.13484s) started
T25 << 1462797736.52197099 Hartree integrate/restrict (132.45575s) stopped
T25 >> 1462797736.57862711 Atomic (4035.85385s) started
T25 >> 1462797736.60186005 XC Correction (2991.99518s) started
T25 << 1462797748.56066394 XC Correction (3003.95398s) stopped
T25 << 1462797754.82573509 Atomic (4054.10096s) stopped
T25 >> 1462797754.82607603 Communicate (387.72193s) started
T25 << 1462797754.82619596 Communicate (387.72205s) stopped
T25 << 1462797754.82621908 Hamiltonian (54883.50841s) stopped
T25 >> 1462797754.82632399 LCAO eigensolver (27923.60866s) started
T25 >> 1462797754.82633996 Potential matrix (930.83661s) started
T25 << 1462797757.24047899 Potential matrix (933.25074s) stopped
T25 >> 1462797757.24056697 DistributedAtomicCorrection (397.85801s) started
T25 << 1462797758.30372906 DistributedAtomicCorrection (398.92117s) stopped
T25 >> 1462797758.30382204 Distribute overlap matrix (2198.45114s) started
T25 >> 1462797758.30384493 blocked summation (2151.31816s) started
T25 << 1462797764.44606590 blocked summation (2157.46038s) stopped
T25 >> 1462797764.45512891 Scalapack redistribute (43.42256s) started
T25 << 1462797764.54845500 Scalapack redistribute (43.51589s) stopped
T25 << 1462797764.54852390 Distribute overlap matrix (2204.69584s) stopped
T25 >> 1462797764.55351710 Blacs Orbital Layouts (22486.36363s) started
T25 >> 1462797764.56137896 General diagonalize (22391.43122s) started
T25 << 1462797825.90610290 General diagonalize (22452.77594s) stopped
T25 >> 1462797825.90614796 Redistribute coefs (7.75786s) started
T25 << 1462797825.92281890 Redistribute coefs (7.77453s) stopped
T25 >> 1462797825.92286205 Send coefs to domains (83.71756s) started
T25 << 1462797826.07094789 Send coefs to domains (83.86564s) stopped
T25 << 1462797826.07153392 Blacs Orbital Layouts (22547.88165s) stopped
T25 >> 1462797826.07157707 Calculate projections (1907.83209s) started
T25 << 1462797831.05800104 Calculate projections (1912.81852s) stopped
T25 << 1462797831.05840898 LCAO eigensolver (27999.84074s) stopped
T25 >> 1462797832.32139301 Density (5937.06590s) started
T25 >> 1462797832.32140899 Pseudo density (4856.79788s) started
T25 >> 1462797832.32285810 Calculate density matrix (4286.02044s) started
T25 << 1462797845.80779099 Calculate density matrix (4299.50537s) stopped
T25 >> 1462797845.80787301 Construct density (556.55649s) started
T25 << 1462797847.47019911 Construct density (558.21881s) stopped
T25 >> 1462797847.48334694 Symmetrize density (0.02679s) started
T25 << 1462797847.48341107 Symmetrize density (0.02685s) stopped
T25 << 1462797847.48554611 Pseudo density (4871.96202s) stopped
T25 >> 1462797847.48563695 Atomic density matrices (900.47942s) started
T25 << 1462797850.17149806 Atomic density matrices (903.16528s) stopped
T25 >> 1462797850.17154908 Multipole moments (3.51293s) started
T25 << 1462797850.18751788 Multipole moments (3.52890s) stopped
T25 >> 1462797850.18758512 Normalize (2.86039s) started
T25 << 1462797850.19463491 Normalize (2.86744s) stopped
T25 >> 1462797850.19475007 Mix (173.37382s) started
T25 << 1462797850.67630696 Mix (173.85538s) stopped
T25 << 1462797850.67642403 Density (5955.42093s) stopped
T25 >> 1462797850.67675304 Hamiltonian (54883.50843s) started
T25 >> 1462797850.67677593 vbar (9.34745s) started
T25 << 1462797850.70233488 vbar (9.37301s) stopped
T25 >> 1462797850.70245790 XC 3D grid (47785.12037s) started
T25 >> 1462797851.19697094 van der Waals (47446.58125s) started
T25 >> 1462797851.32946897 semilocal (36340.06326s) started
T25 << 1462797857.96830392 semilocal (36346.70210s) stopped
T25 >> 1462797858.07049799 redistribute (4543.32944s) started
T25 << 1462797859.26755500 redistribute (4544.52650s) stopped
T25 >> 1462797859.26768303 libvdwxc nonlocal (6491.07697s) started
T25 << 1462797878.18118811 libvdwxc nonlocal (6509.99048s) stopped
T25 >> 1462797878.18126106 redistribute (4544.52653s) started
T25 << 1462797880.12922001 redistribute (4546.47449s) stopped
T25 << 1462797880.13075590 van der Waals (47475.51504s) stopped
T25 << 1462797880.62387991 XC 3D grid (47815.04179s) stopped
T25 >> 1462797880.62393594 Poisson (2494.86969s) started
T25 << 1462797886.54801893 Poisson (2500.79377s) stopped
T25 >> 1462797886.54809093 Hartree integrate/restrict (132.45579s) started
T25 << 1462797886.61575508 Hartree integrate/restrict (132.52345s) stopped
T25 >> 1462797886.61581802 Hartree integrate/restrict (132.52349s) started
T25 << 1462797886.98345590 Hartree integrate/restrict (132.89113s) stopped
T25 >> 1462797887.04418802 Atomic (4054.10098s) started
T25 >> 1462797887.06780100 XC Correction (3003.95401s) started
T25 << 1462797899.01610303 XC Correction (3015.90231s) stopped
T25 << 1462797904.39083409 Atomic (4071.44762s) stopped
T25 >> 1462797904.39119291 Communicate (387.72206s) started
T25 << 1462797904.39130998 Communicate (387.72218s) stopped
T25 << 1462797904.39133310 Hamiltonian (54937.22301s) stopped
T25 >> 1462797904.39143610 LCAO eigensolver (27999.84076s) started
T25 >> 1462797904.39145088 Potential matrix (933.25080s) started
T25 << 1462797906.80783391 Potential matrix (935.66718s) stopped
T25 >> 1462797906.80792093 DistributedAtomicCorrection (398.92121s) started
T25 << 1462797907.90446901 DistributedAtomicCorrection (400.01776s) stopped
T25 >> 1462797907.90456200 Distribute overlap matrix (2204.69586s) started
T25 >> 1462797907.90458608 blocked summation (2157.46042s) started
T25 << 1462797913.92136502 blocked summation (2163.47719s) stopped
T25 >> 1462797913.93110704 Scalapack redistribute (43.51592s) started
T25 << 1462797914.06410503 Scalapack redistribute (43.64892s) stopped
T25 << 1462797914.06419492 Distribute overlap matrix (2210.85549s) stopped
T25 >> 1462797914.06874609 Blacs Orbital Layouts (22547.88167s) started
T25 >> 1462797914.07665205 General diagonalize (22452.77598s) started
T25 << 1462797973.28768110 General diagonalize (22511.98701s) stopped
T25 >> 1462797973.28773093 Redistribute coefs (7.77456s) started
T25 << 1462797973.30425191 Redistribute coefs (7.79108s) stopped
T25 >> 1462797973.30430102 Send coefs to domains (83.86568s) started
T25 << 1462797973.41710901 Send coefs to domains (83.97849s) stopped
T25 << 1462797973.41783190 Blacs Orbital Layouts (22607.23075s) stopped
T25 >> 1462797973.41787410 Calculate projections (1912.81858s) started
T25 << 1462797978.33487296 Calculate projections (1917.73557s) stopped
T25 << 1462797978.33522391 LCAO eigensolver (28073.78455s) stopped
T25 >> 1462797979.40605402 Density (5955.42094s) started
T25 >> 1462797979.40606999 Pseudo density (4871.96210s) started
T25 >> 1462797979.40766001 Calculate density matrix (4299.50541s) started
T25 << 1462797992.62250996 Calculate density matrix (4312.72026s) stopped
T25 >> 1462797992.62257004 Construct density (558.21887s) started
T25 << 1462797994.27416801 Construct density (559.87047s) stopped
T25 >> 1462797994.28838706 Symmetrize density (0.02687s) started
T25 << 1462797994.28844404 Symmetrize density (0.02692s) stopped
T25 << 1462797994.29083705 Pseudo density (4886.84686s) stopped
T25 >> 1462797994.29088998 Atomic density matrices (903.16530s) started
T25 << 1462797997.00468111 Atomic density matrices (905.87909s) stopped
T25 >> 1462797997.00473094 Multipole moments (3.52892s) started
T25 << 1462797997.01801205 Multipole moments (3.54220s) stopped
T25 >> 1462797997.01808000 Normalize (2.86753s) started
T25 << 1462797997.02906489 Normalize (2.87852s) stopped
T25 >> 1462797997.02917504 Mix (173.85549s) started
T25 << 1462797997.53733492 Mix (174.36365s) stopped
T25 << 1462797997.53741503 Density (5973.55230s) stopped
T25 >> 1462797997.53768396 Hamiltonian (54937.22302s) started
T25 >> 1462797997.53770399 vbar (9.37308s) started
T25 << 1462797997.56795907 vbar (9.40334s) stopped
T25 >> 1462797997.56812000 XC 3D grid (47815.04183s) started
T25 >> 1462797998.04868889 van der Waals (47475.51508s) started
T25 >> 1462797998.18329310 semilocal (36346.70223s) started
T25 << 1462798071.38262606 semilocal (36419.90156s) stopped
T25 >> 1462798071.47144294 redistribute (4546.47459s) started
T25 << 1462798198.88696003 redistribute (4673.89011s) stopped
T25 >> 1462798198.88708591 libvdwxc nonlocal (6509.99053s) started
T25 << 1462798218.70426512 libvdwxc nonlocal (6529.80771s) stopped
T25 >> 1462798218.70433402 redistribute (4673.89014s) started
T25 << 1462798220.41715908 redistribute (4675.60297s) stopped
T25 << 1462798220.41849804 van der Waals (47697.88489s) stopped
T25 << 1462798220.90941691 XC 3D grid (48038.38313s) stopped
T25 >> 1462798220.90947008 Poisson (2500.79382s) started
T25 << 1462798225.47594404 Poisson (2505.36029s) stopped
T25 >> 1462798225.47604704 Hartree integrate/restrict (132.89117s) started
T25 << 1462798225.54107594 Hartree integrate/restrict (132.95620s) stopped
T25 >> 1462798225.54115510 Hartree integrate/restrict (132.95626s) started
T25 << 1462798225.96096706 Hartree integrate/restrict (133.37607s) stopped
T25 >> 1462798226.02215910 Atomic (4071.44765s) started
T25 >> 1462798226.04571390 XC Correction (3015.90234s) started
T25 << 1462798238.09964490 XC Correction (3027.95627s) stopped
T25 << 1462798242.93808889 Atomic (4088.36358s) stopped
T25 >> 1462798242.93843389 Communicate (387.72220s) started
T25 << 1462798243.00245595 Communicate (387.78622s) stopped
T25 << 1462798243.00248194 Hamiltonian (55182.68782s) stopped
T25 >> 1462798243.00262594 LCAO eigensolver (28073.78457s) started
T25 >> 1462798243.00264096 Potential matrix (935.66723s) started
T25 << 1462798245.40216303 Potential matrix (938.06675s) stopped
T25 >> 1462798245.40225005 DistributedAtomicCorrection (400.01779s) started
T25 << 1462798246.51136994 DistributedAtomicCorrection (401.12691s) stopped
T25 >> 1462798246.51146293 Distribute overlap matrix (2210.85550s) started
T25 >> 1462798246.51148701 blocked summation (2163.47723s) started
T25 << 1462798252.52313709 blocked summation (2169.48888s) stopped
T25 >> 1462798252.53261209 Scalapack redistribute (43.64897s) started
T25 << 1462798252.69045997 Scalapack redistribute (43.80682s) stopped
T25 << 1462798252.69057012 Distribute overlap matrix (2217.03461s) stopped
T25 >> 1462798252.69756198 Blacs Orbital Layouts (22607.23077s) started
T25 >> 1462798252.70651793 General diagonalize (22511.98705s) started
T25 << 1462798316.17943096 General diagonalize (22575.45996s) stopped
T25 >> 1462798316.17947793 Redistribute coefs (7.79112s) started
T25 << 1462798316.20461798 Redistribute coefs (7.81626s) stopped
T25 >> 1462798316.20466590 Send coefs to domains (83.97853s) started
T25 << 1462798316.32036304 Send coefs to domains (84.09422s) stopped
T25 << 1462798316.32109809 Blacs Orbital Layouts (22670.85431s) stopped
T25 >> 1462798316.32114005 Calculate projections (1917.73563s) started
T25 << 1462798