T01 >> 1462332024.63224602 Initialization (0.00000s) started
T01 >> 1462332025.59993005 Set symmetry (0.00000s) started
T01 << 1462332025.60585093 Set symmetry (0.00592s) stopped
T01 >> 1462332025.64099002 TCI: Evaluate splines (0.00000s) started
T01 << 1462332026.41980195 TCI: Evaluate splines (0.77881s) stopped
T01 >> 1462332026.44518399 initialize (0.00000s) started
T01 << 1462332026.47194791 initialize (0.02677s) stopped
T01 >> 1462332026.54352403 Basic WFS set positions (0.00000s) started
T01 << 1462332026.61897111 Basic WFS set positions (0.07545s) stopped
T01 >> 1462332026.61899900 Basis functions set positions (0.00000s) started
T01 << 1462332027.19565606 Basis functions set positions (0.57666s) stopped
T01 >> 1462332027.19720197 TCI: Calculate S, T, P (0.00001s) started
T01 << 1462332041.38601589 TCI: Calculate S, T, P (14.18882s) stopped
T01 >> 1462332041.38625789 blocked summation (0.00000s) started
T01 << 1462332044.50287604 blocked summation (3.11662s) stopped
T01 >> 1462332044.50367999 Scalapack redistribute (0.00000s) started
T01 << 1462332044.55413699 Scalapack redistribute (0.05046s) stopped
T01 >> 1462332044.55455995 blocked summation (3.11666s) started
T01 << 1462332044.72155499 blocked summation (3.28365s) stopped
T01 >> 1462332044.72235608 Scalapack redistribute (0.05051s) started
T01 << 1462332044.76993108 Scalapack redistribute (0.09809s) stopped
T01 >> 1462332045.59596610 LCAO WFS Initialize (0.00000s) started
T01 >> 1462332045.79058504 Hamiltonian (0.00000s) started
T01 >> 1462332045.79061294 Initialize Hamiltonian (0.00000s) started
T01 << 1462332045.80502701 Initialize Hamiltonian (0.01442s) stopped
T01 >> 1462332045.80509496 vbar (0.00000s) started
T01 << 1462332045.81722689 vbar (0.01213s) stopped
T01 >> 1462332045.81727695 XC 3D grid (0.00000s) started
T01 >> 1462332045.99569511 van der Waals (0.00001s) started
T01 >> 1462332046.03896689 semilocal (0.00001s) started
T01 << 1462332048.28072309 semilocal (2.24177s) stopped
T01 >> 1462332048.31201291 redistribute (0.00000s) started
T01 << 1462332048.68887806 redistribute (0.37687s) stopped
T01 >> 1462332048.68892097 libvdwxc nonlocal (0.00000s) started
T01 << 1462332054.91946507 libvdwxc nonlocal (6.23055s) stopped
T01 >> 1462332054.91952205 redistribute (0.37690s) started
T01 << 1462332055.57719588 redistribute (1.03457s) stopped
T01 << 1462332055.57852197 van der Waals (9.58283s) stopped
T01 << 1462332055.75265408 XC 3D grid (9.93538s) stopped
T01 >> 1462332055.75270891 Poisson (0.00000s) started
T01 << 1462332061.40301895 Poisson (5.65031s) stopped
T01 >> 1462332061.40306306 Hartree integrate/restrict (0.00000s) started
T01 << 1462332061.41860700 Hartree integrate/restrict (0.01555s) stopped
T01 >> 1462332061.41867900 Hartree integrate/restrict (0.01559s) started
T01 << 1462332061.48340511 Hartree integrate/restrict (0.08032s) stopped
T01 >> 1462332061.50536895 Atomic (0.00000s) started
T01 >> 1462332061.51377892 XC Correction (0.00000s) started
T01 << 1462332067.16589403 XC Correction (5.65212s) stopped
T01 << 1462332067.16899610 Atomic (5.66363s) stopped
T01 >> 1462332067.16906095 Communicate (0.00000s) started
T01 << 1462332069.69739294 Communicate (2.52833s) stopped
T01 << 1462332069.69741511 Hamiltonian (23.90683s) stopped
T01 << 1462332069.69744396 LCAO WFS Initialize (24.10148s) stopped
T01 << 1462332069.70907211 Initialization (45.07683s) stopped
T01 >> 1462332069.73124003 SCF-cycle (0.00000s) started
T01 >> 1462332069.73126411 LCAO eigensolver (0.00000s) started
T01 >> 1462332069.73127604 Potential matrix (0.00000s) started
T01 << 1462332069.98531890 Potential matrix (0.25404s) stopped
T01 >> 1462332069.98537493 DistributedAtomicCorrection (0.00000s) started
T01 << 1462332071.35266209 DistributedAtomicCorrection (1.36729s) stopped
T01 >> 1462332071.35269499 Distribute overlap matrix (0.00000s) started
T01 >> 1462332071.35271311 blocked summation (0.00000s) started
T01 << 1462332072.37301207 blocked summation (1.02030s) stopped
T01 >> 1462332072.37476611 Scalapack redistribute (0.00000s) started
T01 << 1462332072.43329406 Scalapack redistribute (0.05853s) stopped
T01 << 1462332072.43334007 Distribute overlap matrix (1.08065s) stopped
T01 >> 1462332072.43422198 Blacs Orbital Layouts (0.00000s) started
T01 >> 1462332072.43571496 General diagonalize (0.00000s) started
T01 << 1462332075.46405602 General diagonalize (3.02834s) stopped
T01 >> 1462332075.46409607 Redistribute coefs (0.00000s) started
T01 << 1462332075.46774411 Redistribute coefs (0.00365s) stopped
T01 >> 1462332075.46778202 Send coefs to domains (0.00000s) started
T01 << 1462332075.54519391 Send coefs to domains (0.07741s) stopped
T01 << 1462332075.54534888 Blacs Orbital Layouts (3.11113s) stopped
T01 >> 1462332075.54537296 Calculate projections (0.00000s) started
T01 << 1462332078.14448404 Calculate projections (2.59911s) stopped
T01 << 1462332078.14472389 LCAO eigensolver (8.41346s) stopped
T01 >> 1462332078.14526701 Density (0.00000s) started
T01 >> 1462332078.14527893 Pseudo density (0.00000s) started
T01 >> 1462332078.14565706 Calculate density matrix (0.00000s) started
T01 << 1462332079.68250799 Calculate density matrix (1.53685s) stopped
T01 >> 1462332079.68255806 Construct density (0.00000s) started
T01 << 1462332079.85034299 Construct density (0.16779s) stopped
T01 >> 1462332079.85228395 Symmetrize density (0.00000s) started
T01 << 1462332079.85231400 Symmetrize density (0.00003s) stopped
T01 << 1462332079.85269904 Pseudo density (1.70742s) stopped
T01 >> 1462332079.85271811 Atomic density matrices (0.00000s) started
T01 << 1462332080.09239101 Atomic density matrices (0.23967s) stopped
T01 >> 1462332080.09242201 Multipole moments (0.00000s) started
T01 << 1462332080.09557509 Multipole moments (0.00315s) stopped
T01 >> 1462332080.09559703 Normalize (0.00000s) started
T01 << 1462332080.09662390 Normalize (0.00103s) stopped
T01 >> 1462332080.09665895 Mix (0.00000s) started
T01 << 1462332080.20366907 Mix (0.10701s) stopped
T01 << 1462332080.20371604 Density (2.05845s) stopped
T01 >> 1462332080.20374799 Hamiltonian (0.00000s) started
T01 >> 1462332080.20376396 vbar (0.00000s) started
T01 << 1462332080.21560907 vbar (0.01185s) stopped
T01 >> 1462332080.21567392 XC 3D grid (0.00000s) started
T01 >> 1462332080.40278697 van der Waals (0.00001s) started
T01 >> 1462332080.44285488 semilocal (0.00001s) started
T01 << 1462332082.67737389 semilocal (2.23453s) stopped
T01 >> 1462332082.70648694 redistribute (0.00000s) started
T01 << 1462332083.07867193 redistribute (0.37219s) stopped
T01 >> 1462332083.07871199 libvdwxc nonlocal (0.00000s) started
T01 << 1462332089.35672307 libvdwxc nonlocal (6.27801s) stopped
T01 >> 1462332089.35676503 redistribute (0.37222s) started
T01 << 1462332090.10693502 redistribute (1.12239s) stopped
T01 << 1462332090.10819101 van der Waals (9.70542s) stopped
T01 << 1462332090.28807712 XC 3D grid (10.07241s) stopped
T01 >> 1462332090.28811598 Poisson (0.00000s) started
T01 << 1462332093.15592599 Poisson (2.86781s) stopped
T01 >> 1462332093.15598011 Hartree integrate/restrict (0.00000s) started
T01 << 1462332093.17119503 Hartree integrate/restrict (0.01522s) stopped
T01 >> 1462332093.17126989 Hartree integrate/restrict (0.01527s) started
T01 << 1462332093.23529911 Hartree integrate/restrict (0.07930s) stopped
T01 >> 1462332093.25898600 Atomic (0.00000s) started
T01 >> 1462332093.26731992 XC Correction (0.00000s) started
T01 << 1462332098.93916702 XC Correction (5.67185s) stopped
T01 << 1462332098.94196606 Atomic (5.68298s) stopped
T01 >> 1462332098.94203210 Communicate (0.00000s) started
T01 << 1462332101.44774508 Communicate (2.50572s) stopped
T01 << 1462332101.44776702 Hamiltonian (21.24402s) stopped
T01 >> 1462332101.44780207 LCAO eigensolver (8.41348s) started
T01 >> 1462332101.44781399 Potential matrix (0.25407s) started
T01 << 1462332101.70200300 Potential matrix (0.50826s) stopped
T01 >> 1462332101.70205998 DistributedAtomicCorrection (1.36731s) started
T01 << 1462332103.05905700 DistributedAtomicCorrection (2.72431s) stopped
T01 >> 1462332103.05909109 Distribute overlap matrix (1.08066s) started
T01 >> 1462332103.05910897 blocked summation (1.02033s) started
T01 << 1462332104.09435892 blocked summation (2.05558s) stopped
T01 >> 1462332104.09613800 Scalapack redistribute (0.05856s) started
T01 << 1462332104.15440392 Scalapack redistribute (0.11683s) stopped
T01 << 1462332104.15444493 Distribute overlap matrix (2.17601s) stopped
T01 >> 1462332104.15501308 Blacs Orbital Layouts (3.11114s) started
T01 >> 1462332104.15659094 General diagonalize (3.02837s) started
T01 << 1462332107.01104307 General diagonalize (5.88283s) stopped
T01 >> 1462332107.01108408 Redistribute coefs (0.00368s) started
T01 << 1462332107.01377606 Redistribute coefs (0.00637s) stopped
T01 >> 1462332107.01381302 Send coefs to domains (0.07744s) started
T01 << 1462332107.06333494 Send coefs to domains (0.12696s) stopped
T01 << 1462332107.06350589 Blacs Orbital Layouts (6.01963s) stopped
T01 >> 1462332107.06353092 Calculate projections (2.59916s) started
T01 << 1462332109.66124701 Calculate projections (5.19687s) stopped
T01 << 1462332109.66145301 LCAO eigensolver (16.62713s) stopped
T01 >> 1462332109.66214299 Density (2.05846s) started
T01 >> 1462332109.66215491 Pseudo density (1.70744s) started
T01 >> 1462332109.66251302 Calculate density matrix (1.53689s) started
T01 << 1462332111.18258190 Calculate density matrix (3.05696s) stopped
T01 >> 1462332111.18263292 Construct density (0.16782s) started
T01 << 1462332111.35061193 Construct density (0.33580s) stopped
T01 >> 1462332111.35268593 Symmetrize density (0.00004s) started
T01 << 1462332111.35271406 Symmetrize density (0.00007s) stopped
T01 << 1462332111.35309410 Pseudo density (3.39837s) stopped
T01 >> 1462332111.35311294 Atomic density matrices (0.23970s) started
T01 << 1462332111.58990002 Atomic density matrices (0.47648s) stopped
T01 >> 1462332111.58993006 Multipole moments (0.00317s) started
T01 << 1462332111.59297490 Multipole moments (0.00621s) stopped
T01 >> 1462332111.59299707 Normalize (0.00105s) started
T01 << 1462332111.59397602 Normalize (0.00203s) stopped
T01 >> 1462332111.59401011 Mix (0.10706s) started
T01 << 1462332111.70220208 Mix (0.21525s) stopped
T01 << 1462332111.70224905 Density (4.09857s) stopped
T01 >> 1462332111.70228100 Hamiltonian (21.24403s) started
T01 >> 1462332111.70229697 vbar (0.01188s) started
T01 << 1462332111.71317697 vbar (0.02276s) stopped
T01 >> 1462332111.71324110 XC 3D grid (10.07244s) started
T01 >> 1462332111.89215589 van der Waals (9.70544s) started
T01 >> 1462332111.93348289 semilocal (2.23459s) started
T01 << 1462332114.17479992 semilocal (4.47590s) stopped
T01 >> 1462332114.20488811 redistribute (1.12242s) started
T01 << 1462332114.58346891 redistribute (1.50100s) stopped
T01 >> 1462332114.58350992 libvdwxc nonlocal (6.27804s) started
T01 << 1462332120.87144089 libvdwxc nonlocal (12.56597s) stopped
T01 >> 1462332120.87148094 redistribute (1.50103s) started
T01 << 1462332121.61800694 redistribute (2.24756s) stopped
T01 << 1462332121.61887407 van der Waals (19.43216s) stopped
T01 << 1462332121.80262303 XC 3D grid (20.16182s) stopped
T01 >> 1462332121.80266404 Poisson (2.86785s) started
T01 << 1462332125.79953504 Poisson (6.86472s) stopped
T01 >> 1462332125.79957700 Hartree integrate/restrict (0.07933s) started
T01 << 1462332125.81505203 Hartree integrate/restrict (0.09480s) stopped
T01 >> 1462332125.81516099 Hartree integrate/restrict (0.09488s) started
T01 << 1462332125.88491607 Hartree integrate/restrict (0.16464s) stopped
T01 >> 1462332125.90031910 Atomic (5.68300s) started
T01 >> 1462332125.90867400 XC Correction (5.67187s) started
T01 << 1462332131.58986497 XC Correction (11.35306s) stopped
T01 << 1462332131.59265208 Atomic (11.37533s) stopped
T01 >> 1462332131.59272289 Communicate (2.50573s) started
T01 << 1462332134.09631991 Communicate (5.00933s) stopped
T01 << 1462332134.09634304 Hamiltonian (43.63810s) stopped
T01 >> 1462332134.09637809 LCAO eigensolver (16.62715s) started
T01 >> 1462332134.09639001 Potential matrix (0.50829s) started
T01 << 1462332134.34927511 Potential matrix (0.76118s) stopped
T01 >> 1462332134.34933209 DistributedAtomicCorrection (2.72433s) started
T01 << 1462332135.70838308 DistributedAtomicCorrection (4.08338s) stopped
T01 >> 1462332135.70841789 Distribute overlap matrix (2.17602s) started
T01 >> 1462332135.70843601 blocked summation (2.05562s) started
T01 << 1462332136.74512696 blocked summation (3.09231s) stopped
T01 >> 1462332136.74695802 Scalapack redistribute (0.11686s) started
T01 << 1462332136.80453110 Scalapack redistribute (0.17443s) stopped
T01 << 1462332136.80457091 Distribute overlap matrix (3.27218s) stopped
T01 >> 1462332136.80516100 Blacs Orbital Layouts (6.01965s) started
T01 >> 1462332136.80668592 General diagonalize (5.88286s) started
T01 << 1462332139.67394304 General diagonalize (8.75012s) stopped
T01 >> 1462332139.67398310 Redistribute coefs (0.00640s) started
T01 << 1462332139.67669702 Redistribute coefs (0.00911s) stopped
T01 >> 1462332139.67673492 Send coefs to domains (0.12700s) started
T01 << 1462332139.72701812 Send coefs to domains (0.17728s) stopped
T01 << 1462332139.72719908 Blacs Orbital Layouts (8.94169s) stopped
T01 >> 1462332139.72722697 Calculate projections (5.19692s) started
T01 << 1462332142.32493496 Calculate projections (7.79462s) stopped
T01 << 1462332142.32514501 LCAO eigensolver (24.85591s) stopped
T01 >> 1462332142.32578397 Density (4.09858s) started
T01 >> 1462332142.32579589 Pseudo density (3.39839s) started
T01 >> 1462332142.32618999 Calculate density matrix (3.05699s) started
T01 << 1462332143.88261199 Calculate density matrix (4.61341s) stopped
T01 >> 1462332143.88266492 Construct density (0.33583s) started
T01 << 1462332144.05064511 Construct density (0.50381s) stopped
T01 >> 1462332144.05256701 Symmetrize density (0.00008s) started
T01 << 1462332144.05259609 Symmetrize density (0.00011s) stopped
T01 << 1462332144.05297899 Pseudo density (5.12557s) stopped
T01 >> 1462332144.05299807 Atomic density matrices (0.47651s) started
T01 << 1462332144.29287004 Atomic density matrices (0.71638s) stopped
T01 >> 1462332144.29290104 Multipole moments (0.00623s) started
T01 << 1462332144.29592395 Multipole moments (0.00925s) stopped
T01 >> 1462332144.29594707 Normalize (0.00206s) started
T01 << 1462332144.29693103 Normalize (0.00304s) stopped
T01 >> 1462332144.29696393 Mix (0.21529s) started
T01 << 1462332144.40824008 Mix (0.32657s) stopped
T01 << 1462332144.40828800 Density (6.18109s) stopped
T01 >> 1462332144.40832305 Hamiltonian (43.63811s) started
T01 >> 1462332144.40834188 vbar (0.02280s) started
T01 << 1462332144.41915107 vbar (0.03361s) stopped
T01 >> 1462332144.41920900 XC 3D grid (20.16185s) started
T01 >> 1462332144.59813190 van der Waals (19.43218s) started
T01 >> 1462332144.64200997 semilocal (4.47594s) started
T01 << 1462332146.87303305 semilocal (6.70697s) stopped
T01 >> 1462332146.90551805 redistribute (2.24761s) started
T01 << 1462332147.29569697 redistribute (2.63779s) stopped
T01 >> 1462332147.29576111 libvdwxc nonlocal (12.56601s) started
T01 << 1462332153.56345892 libvdwxc nonlocal (18.83370s) stopped
T01 >> 1462332153.56349993 redistribute (2.63784s) started
T01 << 1462332154.30763507 redistribute (3.38198s) stopped
T01 << 1462332154.30911803 van der Waals (29.14317s) stopped
T01 << 1462332154.48686695 XC 3D grid (30.22951s) stopped
T01 >> 1462332154.48690391 Poisson (6.86475s) started
T01 << 1462332156.78506994 Poisson (9.16292s) stopped
T01 >> 1462332156.78511810 Hartree integrate/restrict (0.16468s) started
T01 << 1462332156.80066609 Hartree integrate/restrict (0.18023s) stopped
T01 >> 1462332156.80072498 Hartree integrate/restrict (0.18026s) started
T01 << 1462332156.87026000 Hartree integrate/restrict (0.24980s) stopped
T01 >> 1462332156.88782310 Atomic (11.37535s) started
T01 >> 1462332156.89616489 XC Correction (11.35308s) started
T01 << 1462332162.57444906 XC Correction (17.03136s) stopped
T01 << 1462332162.57724905 Atomic (17.06477s) stopped
T01 >> 1462332162.57731605 Communicate (5.00934s) started
T01 << 1462332165.08736706 Communicate (7.51939s) stopped
T01 << 1462332165.08738899 Hamiltonian (64.31717s) stopped
T01 >> 1462332165.08742404 LCAO eigensolver (24.85593s) started
T01 >> 1462332165.08743596 Potential matrix (0.76121s) started
T01 << 1462332165.34174609 Potential matrix (1.01552s) stopped
T01 >> 1462332165.34181905 DistributedAtomicCorrection (4.08341s) started
T01 << 1462332166.69958401 DistributedAtomicCorrection (5.44117s) stopped
T01 >> 1462332166.69962192 Distribute overlap matrix (3.27219s) started
T01 >> 1462332166.69964194 blocked summation (3.09234s) started
T01 << 1462332167.74144101 blocked summation (4.13414s) stopped
T01 >> 1462332167.74321890 Scalapack redistribute (0.17446s) started
T01 << 1462332167.80355191 Scalapack redistribute (0.23479s) stopped
T01 << 1462332167.80359292 Distribute overlap matrix (4.37616s) stopped
T01 >> 1462332167.80416393 Blacs Orbital Layouts (8.94170s) started
T01 >> 1462332167.80569911 General diagonalize (8.75015s) started
T01 << 1462332170.68800712 General diagonalize (11.63245s) stopped
T01 >> 1462332170.68804789 Redistribute coefs (0.00914s) started
T01 << 1462332170.69090009 Redistribute coefs (0.01200s) stopped
T01 >> 1462332170.69094110 Send coefs to domains (0.17731s) started
T01 << 1462332170.74166393 Send coefs to domains (0.22803s) stopped
T01 << 1462332170.74184299 Blacs Orbital Layouts (11.87938s) stopped
T01 >> 1462332170.74186897 Calculate projections (7.79466s) started
T01 << 1462332173.33964992 Calculate projections (10.39245s) stopped
T01 << 1462332173.33985901 LCAO eigensolver (33.10837s) stopped
T01 >> 1462332173.34059095 Density (6.18110s) started
T01 >> 1462332173.34060407 Pseudo density (5.12559s) started
T01 >> 1462332173.34095693 Calculate density matrix (4.61345s) started
T01 << 1462332174.86484289 Calculate density matrix (6.13733s) stopped
T01 >> 1462332174.86489201 Construct density (0.50384s) started
T01 << 1462332175.03278995 Construct density (0.67174s) stopped
T01 >> 1462332175.03484011 Symmetrize density (0.00012s) started
T01 << 1462332175.03486896 Symmetrize density (0.00015s) stopped
T01 << 1462332175.03524399 Pseudo density (6.82023s) stopped
T01 >> 1462332175.03526306 Atomic density matrices (0.71640s) started
T01 << 1462332175.27031803 Atomic density matrices (0.95146s) stopped
T01 >> 1462332175.27034712 Multipole moments (0.00927s) started
T01 << 1462332175.27338791 Multipole moments (0.01231s) stopped
T01 >> 1462332175.27341008 Normalize (0.00307s) started
T01 << 1462332175.27439189 Normalize (0.00405s) stopped
T01 >> 1462332175.27442288 Mix (0.32662s) started
T01 << 1462332175.38892102 Mix (0.44111s) stopped
T01 << 1462332175.38895893 Density (8.22947s) stopped
T01 >> 1462332175.38898802 Hamiltonian (64.31718s) started
T01 >> 1462332175.38900399 vbar (0.03364s) started
T01 << 1462332175.39991212 vbar (0.04455s) stopped
T01 >> 1462332175.39996910 XC 3D grid (30.22953s) started
T01 >> 1462332175.58244300 van der Waals (29.14321s) started
T01 >> 1462332175.62414908 semilocal (6.70707s) started
T01 << 1462332177.85363007 semilocal (8.93655s) stopped
T01 >> 1462332177.88324404 redistribute (3.38201s) started
T01 << 1462332178.25820494 redistribute (3.75697s) stopped
T01 >> 1462332178.25826812 libvdwxc nonlocal (18.83373s) started
T01 << 1462332184.53729510 libvdwxc nonlocal (25.11276s) stopped
T01 >> 1462332184.53733492 redistribute (3.75702s) started
T01 << 1462332185.28221011 redistribute (4.50189s) stopped
T01 << 1462332185.28314304 van der Waals (38.84391s) stopped
T01 << 1462332185.46164203 XC 3D grid (40.29121s) stopped
T01 >> 1462332185.46167898 Poisson (9.16296s) started
T01 << 1462332187.75932789 Poisson (11.46061s) stopped
T01 >> 1462332187.75937009 Hartree integrate/restrict (0.24984s) started
T01 << 1462332187.77476501 Hartree integrate/restrict (0.26523s) stopped
T01 >> 1462332187.77488303 Hartree integrate/restrict (0.26532s) started
T01 << 1462332187.84538007 Hartree integrate/restrict (0.33581s) stopped
T01 >> 1462332187.86132693 Atomic (17.06479s) started
T01 >> 1462332187.86968708 XC Correction (17.03138s) started
T01 << 1462332193.55029702 XC Correction (22.71199s) stopped
T01 << 1462332193.55309010 Atomic (22.75655s) stopped
T01 >> 1462332193.55315995 Communicate (7.51941s) started
T01 << 1462332196.06599808 Communicate (10.03225s) stopped
T01 << 1462332196.06602001 Hamiltonian (84.99422s) stopped
T01 >> 1462332196.06605601 LCAO eigensolver (33.10838s) started
T01 >> 1462332196.06606698 Potential matrix (1.01557s) started
T01 << 1462332196.32056189 Potential matrix (1.27006s) stopped
T01 >> 1462332196.32062006 DistributedAtomicCorrection (5.44120s) started
T01 << 1462332197.68304992 DistributedAtomicCorrection (6.80363s) stopped
T01 >> 1462332197.68308401 Distribute overlap matrix (4.37617s) started
T01 >> 1462332197.68310308 blocked summation (4.13417s) started
T01 << 1462332198.72385693 blocked summation (5.17493s) stopped
T01 >> 1462332198.72561097 Scalapack redistribute (0.23482s) started
T01 << 1462332198.78321409 Scalapack redistribute (0.29242s) stopped
T01 << 1462332198.78325605 Distribute overlap matrix (5.47634s) stopped
T01 >> 1462332198.78380299 Blacs Orbital Layouts (11.87940s) started
T01 >> 1462332198.78585410 General diagonalize (11.63249s) started
T01 << 1462332201.66411591 General diagonalize (14.51075s) stopped
T01 >> 1462332201.66415691 Redistribute coefs (0.01203s) started
T01 << 1462332201.66623807 Redistribute coefs (0.01411s) stopped
T01 >> 1462332201.66631198 Send coefs to domains (0.22807s) started
T01 << 1462332201.71663094 Send coefs to domains (0.27839s) stopped
T01 << 1462332201.71692610 Blacs Orbital Layouts (14.81252s) stopped
T01 >> 1462332201.71695089 Calculate projections (10.39249s) started
T01 << 1462332204.31916499 Calculate projections (12.99471s) stopped
T01 << 1462332204.31939292 LCAO eigensolver (41.36172s) stopped
T01 >> 1462332204.32008696 Density (8.22948s) started
T01 >> 1462332204.32009912 Pseudo density (6.82024s) started
T01 >> 1462332204.32046294 Calculate density matrix (6.13737s) started
T01 << 1462332205.84712601 Calculate density matrix (7.66403s) stopped
T01 >> 1462332205.84717607 Construct density (0.67176s) started
T01 << 1462332206.01508498 Construct density (0.83967s) stopped
T01 >> 1462332206.01701903 Symmetrize density (0.00016s) started
T01 << 1462332206.01704693 Symmetrize density (0.00019s) stopped
T01 << 1462332206.01742291 Pseudo density (8.51756s) stopped
T01 >> 1462332206.01744199 Atomic density matrices (0.95148s) started
T01 << 1462332206.25661111 Atomic density matrices (1.19065s) stopped
T01 >> 1462332206.25664592 Multipole moments (0.01232s) started
T01 << 1462332206.25966096 Multipole moments (0.01534s) stopped
T01 >> 1462332206.25968289 Normalize (0.00407s) started
T01 << 1462332206.26065898 Normalize (0.00505s) stopped
T01 >> 1462332206.26069689 Mix (0.44115s) started
T01 << 1462332206.37880206 Mix (0.55926s) stopped
T01 << 1462332206.37884307 Density (10.28823s) stopped
T01 >> 1462332206.37887502 Hamiltonian (84.99423s) started
T01 >> 1462332206.37889004 vbar (0.04458s) started
T01 << 1462332206.38950610 vbar (0.05520s) stopped
T01 >> 1462332206.38955808 XC 3D grid (40.29123s) started
T01 >> 1462332206.56863999 van der Waals (38.84393s) started
T01 >> 1462332206.61159301 semilocal (8.93663s) started
T01 << 1462332208.83874202 semilocal (11.16378s) stopped
T01 >> 1462332208.87017894 redistribute (4.50195s) started
T01 << 1462332209.25337505 redistribute (4.88515s) stopped
T01 >> 1462332209.25341511 libvdwxc nonlocal (25.11279s) started
T01 << 1462332215.55201602 libvdwxc nonlocal (31.41139s) stopped
T01 >> 1462332215.55205488 redistribute (4.88518s) started
T01 << 1462332216.29392195 redistribute (5.62704s) stopped
T01 << 1462332216.29526901 van der Waals (48.57056s) stopped
T01 << 1462332216.47557092 XC 3D grid (50.37725s) stopped
T01 >> 1462332216.47562909 Poisson (11.46064s) started
T01 << 1462332218.77310896 Poisson (13.75812s) stopped
T01 >> 1462332218.77318501 Hartree integrate/restrict (0.33586s) started
T01 << 1462332218.78860807 Hartree integrate/restrict (0.35128s) stopped
T01 >> 1462332218.78875995 Hartree integrate/restrict (0.35139s) started
T01 << 1462332218.85813403 Hartree integrate/restrict (0.42076s) stopped
T01 >> 1462332218.87645292 Atomic (22.75657s) started
T01 >> 1462332218.88484097 XC Correction (22.71201s) started
T01 << 1462332224.57177711 XC Correction (28.39895s) stopped
T01 << 1462332224.57458806 Atomic (28.45470s) stopped
T01 >> 1462332224.57465696 Communicate (10.03226s) started
T01 << 1462332227.07049894 Communicate (12.52810s) stopped
T01 << 1462332227.07052493 Hamiltonian (105.68588s) stopped
T01 >> 1462332227.07056093 LCAO eigensolver (41.36174s) started
T01 >> 1462332227.07057309 Potential matrix (1.27009s) started
T01 << 1462332227.32743192 Potential matrix (1.52695s) stopped
T01 >> 1462332227.32748890 DistributedAtomicCorrection (6.80365s) started
T01 << 1462332228.68838096 DistributedAtomicCorrection (8.16455s) stopped
T01 >> 1462332228.68841410 Distribute overlap matrix (5.47635s) started
T01 >> 1462332228.68843293 blocked summation (5.17496s) started
T01 << 1462332229.71597695 blocked summation (6.20250s) stopped
T01 >> 1462332229.71780610 Scalapack redistribute (0.29245s) started
T01 << 1462332229.77730703 Scalapack redistribute (0.35195s) stopped
T01 << 1462332229.77734709 Distribute overlap matrix (6.56529s) stopped
T01 >> 1462332229.77789807 Blacs Orbital Layouts (14.81254s) started
T01 >> 1462332229.77941108 General diagonalize (14.51078s) started
T01 << 1462332232.64275694 General diagonalize (17.37413s) stopped
T01 >> 1462332232.64279890 Redistribute coefs (0.01417s) started
T01 << 1462332232.64550996 Redistribute coefs (0.01688s) stopped
T01 >> 1462332232.64554906 Send coefs to domains (0.27842s) started
T01 << 1462332232.69606805 Send coefs to domains (0.32894s) stopped
T01 << 1462332232.69624090 Blacs Orbital Layouts (17.73088s) stopped
T01 >> 1462332232.69626594 Calculate projections (12.99475s) started
T01 << 1462332235.29889703 Calculate projections (15.59738s) stopped
T01 << 1462332235.29911995 LCAO eigensolver (49.59030s) stopped
T01 >> 1462332235.29977202 Density (10.28825s) started
T01 >> 1462332235.29978395 Pseudo density (8.51758s) started
T01 >> 1462332235.30014992 Calculate density matrix (7.66406s) started
T01 << 1462332236.81886506 Calculate density matrix (9.18278s) stopped
T01 >> 1462332236.81891489 Construct density (0.83970s) started
T01 << 1462332236.98670912 Construct density (1.00750s) stopped
T01 >> 1462332236.98817897 Symmetrize density (0.00020s) started
T01 << 1462332236.98820806 Symmetrize density (0.00023s) stopped
T01 << 1462332236.98858595 Pseudo density (10.20638s) stopped
T01 >> 1462332236.98860598 Atomic density matrices (1.19067s) started
T01 << 1462332237.23276806 Atomic density matrices (1.43483s) stopped
T01 >> 1462332237.23279810 Multipole moments (0.01536s) started
T01 << 1462332237.23584390 Multipole moments (0.01840s) stopped
T01 >> 1462332237.23586702 Normalize (0.00508s) started
T01 << 1462332237.23685503 Normalize (0.00607s) stopped
T01 >> 1462332237.23689008 Mix (0.55930s) started
T01 << 1462332237.35577297 Mix (0.67818s) stopped
T01 << 1462332237.35581803 Density (12.34429s) stopped
T01 >> 1462332237.35585308 Hamiltonian (105.68589s) started
T01 >> 1462332237.35587001 vbar (0.05522s) started
T01 << 1462332237.36666799 vbar (0.06602s) stopped
T01 >> 1462332237.36672401 XC 3D grid (50.37729s) started
T01 >> 1462332237.54831100 van der Waals (48.57059s) started
T01 >> 1462332237.59078503 semilocal (11.16388s) started
T01 << 1462332239.83257699 semilocal (13.40568s) stopped
T01 >> 1462332239.86228299 redistribute (5.62708s) started
T01 << 1462332240.23463798 redistribute (5.99943s) stopped
T01 >> 1462332240.23467803 libvdwxc nonlocal (31.41142s) started
T01 << 1462332246.53638005 libvdwxc nonlocal (37.71312s) stopped
T01 >> 1462332246.53642392 redistribute (5.99946s) started
T01 << 1462332247.27396393 redistribute (6.73700s) stopped
T01 << 1462332247.27518511 van der Waals (58.29746s) stopped
T01 << 1462332247.45094705 XC 3D grid (60.46151s) stopped
T01 >> 1462332247.45098805 Poisson (13.75818s) started
T01 << 1462332251.43434691 Poisson (17.74154s) stopped
T01 >> 1462332251.43441296 Hartree integrate/restrict (0.42080s) started
T01 << 1462332251.45003009 Hartree integrate/restrict (0.43642s) stopped
T01 >> 1462332251.45011997 Hartree integrate/restrict (0.43649s) started
T01 << 1462332251.51508188 Hartree integrate/restrict (0.50145s) stopped
T01 >> 1462332251.53659797 Atomic (28.45472s) started
T01 >> 1462332251.54505992 XC Correction (28.39898s) started
T01 << 1462332257.23760796 XC Correction (34.09153s) stopped
T01 << 1462332257.24043393 Atomic (34.15856s) stopped
T01 >> 1462332257.24050403 Communicate (12.52812s) started
T01 << 1462332259.74604702 Communicate (15.03366s) stopped
T01 << 1462332259.74607110 Hamiltonian (128.07611s) stopped
T01 >> 1462332259.74610806 LCAO eigensolver (49.59031s) started
T01 >> 1462332259.74611998 Potential matrix (1.52698s) started
T01 << 1462332260.00216794 Potential matrix (1.78303s) stopped
T01 >> 1462332260.00222492 DistributedAtomicCorrection (8.16457s) started
T01 << 1462332261.35938311 DistributedAtomicCorrection (9.52173s) stopped
T01 >> 1462332261.35941696 Distribute overlap matrix (6.56530s) started
T01 >> 1462332261.35943508 blocked summation (6.20253s) started
T01 << 1462332262.39504099 blocked summation (7.23814s) stopped
T01 >> 1462332262.39676809 Scalapack redistribute (0.35198s) started
T01 << 1462332262.45535707 Scalapack redistribute (0.41057s) stopped
T01 << 1462332262.45539808 Distribute overlap matrix (7.66128s) stopped
T01 >> 1462332262.45598006 Blacs Orbital Layouts (17.73090s) started
T01 >> 1462332262.45745397 General diagonalize (17.37416s) started
T01 << 1462332265.31840301 General diagonalize (20.23511s) stopped
T01 >> 1462332265.31844497 Redistribute coefs (0.01691s) started
T01 << 1462332265.32118392 Redistribute coefs (0.01965s) stopped
T01 >> 1462332265.32122302 Send coefs to domains (0.32897s) started
T01 << 1462332265.37069893 Send coefs to domains (0.37845s) stopped
T01 << 1462332265.37087393 Blacs Orbital Layouts (20.64579s) stopped
T01 >> 1462332265.37089992 Calculate projections (15.59743s) started
T01 << 1462332267.96967697 Calculate projections (18.19620s) stopped
T01 << 1462332267.96989393 LCAO eigensolver (57.81410s) stopped
T01 >> 1462332267.97060394 Density (12.34431s) started
T01 >> 1462332267.97062397 Pseudo density (10.20640s) started
T01 >> 1462332267.97101998 Calculate density matrix (9.18281s) started
T01 << 1462332269.50500488 Calculate density matrix (10.71680s) stopped
T01 >> 1462332269.50505590 Construct density (1.00753s) started
T01 << 1462332269.67300606 Construct density (1.17548s) stopped
T01 >> 1462332269.67491388 Symmetrize density (0.00024s) started
T01 << 1462332269.67494297 Symmetrize density (0.00027s) stopped
T01 << 1462332269.67532110 Pseudo density (11.91109s) stopped
T01 >> 1462332269.67533898 Atomic density matrices (1.43486s) started
T01 << 1462332269.90984297 Atomic density matrices (1.66936s) stopped
T01 >> 1462332269.90987301 Multipole moments (0.01842s) started
T01 << 1462332269.91290307 Multipole moments (0.02145s) stopped
T01 >> 1462332269.91292500 Normalize (0.00609s) started
T01 << 1462332269.91391397 Normalize (0.00708s) stopped
T01 >> 1462332269.91394496 Mix (0.67822s) started
T01 << 1462332270.03232408 Mix (0.79660s) stopped
T01 << 1462332270.03236508 Density (14.40607s) stopped
T01 >> 1462332270.03239703 Hamiltonian (128.07612s) started
T01 >> 1462332270.03241301 vbar (0.06605s) started
T01 << 1462332270.04312396 vbar (0.07676s) stopped
T01 >> 1462332270.04318190 XC 3D grid (60.46154s) started
T01 >> 1462332270.22277498 van der Waals (58.29752s) started
T01 >> 1462332270.26489091 semilocal (13.40574s) started
T01 << 1462332272.50180888 semilocal (15.64266s) stopped
T01 >> 1462332272.53314590 redistribute (6.73705s) started
T01 << 1462332272.91124105 redistribute (7.11515s) stopped
T01 >> 1462332272.91127992 libvdwxc nonlocal (37.71315s) started
T01 << 1462332279.18359208 libvdwxc nonlocal (43.98547s) stopped
T01 >> 1462332279.18364191 redistribute (7.11518s) started
T01 << 1462332279.92311502 redistribute (7.85465s) stopped
T01 << 1462332279.92431808 van der Waals (67.99906s) stopped
T01 << 1462332280.10097694 XC 3D grid (70.51934s) stopped
T01 >> 1462332280.10103393 Poisson (17.74159s) started
T01 << 1462332282.95944405 Poisson (20.60000s) stopped
T01 >> 1462332282.95953202 Hartree integrate/restrict (0.50148s) started
T01 << 1462332282.97511101 Hartree integrate/restrict (0.51706s) stopped
T01 >> 1462332282.97523808 Hartree integrate/restrict (0.51715s) started
T01 << 1462332283.04470205 Hartree integrate/restrict (0.58662s) stopped
T01 >> 1462332283.06188202 Atomic (34.15857s) started
T01 >> 1462332283.07032990 XC Correction (34.09155s) started
T01 << 1462332288.75714493 XC Correction (39.77837s) stopped
T01 << 1462332288.75996089 Atomic (39.85665s) stopped
T01 >> 1462332288.76002908 Communicate (15.03368s) started
T01 << 1462332291.25486112 Communicate (17.52851s) stopped
T01 << 1462332291.25488400 Hamiltonian (149.29861s) stopped
T01 >> 1462332291.25492001 LCAO eigensolver (57.81412s) started
T01 >> 1462332291.25493193 Potential matrix (1.78306s) started
T01 << 1462332291.51075602 Potential matrix (2.03888s) stopped
T01 >> 1462332291.51081109 DistributedAtomicCorrection (9.52175s) started
T01 << 1462332292.86526990 DistributedAtomicCorrection (10.87621s) stopped
T01 >> 1462332292.86530590 Distribute overlap matrix (7.66129s) started
T01 >> 1462332292.86532497 blocked summation (7.23817s) started
T01 << 1462332293.91510201 blocked summation (8.28794s) stopped
T01 >> 1462332293.91688299 Scalapack redistribute (0.41060s) started
T01 << 1462332293.97632694 Scalapack redistribute (0.47004s) stopped
T01 << 1462332293.97636795 Distribute overlap matrix (8.77235s) stopped
T01 >> 1462332293.97694707 Blacs Orbital Layouts (20.64581s) started
T01 >> 1462332293.97840309 General diagonalize (20.23514s) started
T01 << 1462332296.83854508 General diagonalize (23.09528s) stopped
T01 >> 1462332296.83858609 Redistribute coefs (0.01968s) started
T01 << 1462332296.84134889 Redistribute coefs (0.02244s) stopped
T01 >> 1462332296.84138703 Send coefs to domains (0.37848s) started
T01 << 1462332296.89210701 Send coefs to domains (0.42920s) stopped
T01 << 1462332296.89228106 Blacs Orbital Layouts (23.56114s) stopped
T01 >> 1462332296.89230609 Calculate projections (18.19625s) started
T01 << 1462332299.49589896 Calculate projections (20.79984s) stopped
T01 << 1462332299.49613094 LCAO eigensolver (66.05533s) stopped
T01 >> 1462332299.49679995 Density (14.40608s) started
T01 >> 1462332299.49681306 Pseudo density (11.91111s) started
T01 >> 1462332299.49718189 Calculate density matrix (10.71683s) started
T01 << 1462332301.01938891 Calculate density matrix (12.23904s) stopped
T01 >> 1462332301.01943898 Construct density (1.17551s) started
T01 << 1462332301.18731499 Construct density (1.34338s) stopped
T01 >> 1462332301.18923593 Symmetrize density (0.00028s) started
T01 << 1462332301.18926501 Symmetrize density (0.00031s) stopped
T01 << 1462332301.18965101 Pseudo density (13.60394s) stopped
T01 >> 1462332301.18967009 Atomic density matrices (1.66938s) started
T01 << 1462332301.42422509 Atomic density matrices (1.90394s) stopped
T01 >> 1462332301.42425609 Multipole moments (0.02146s) started
T01 << 1462332301.42728996 Multipole moments (0.02450s) stopped
T01 >> 1462332301.42731190 Normalize (0.00710s) started
T01 << 1462332301.42829704 Normalize (0.00809s) stopped
T01 >> 1462332301.42833304 Mix (0.79664s) started
T01 << 1462332301.54685092 Mix (0.91516s) stopped
T01 << 1462332301.54689789 Density (16.45618s) stopped
T01 >> 1462332301.54693007 Hamiltonian (149.29862s) started
T01 >> 1462332301.54694605 vbar (0.07680s) started
T01 << 1462332301.55765796 vbar (0.08751s) stopped
T01 >> 1462332301.55771804 XC 3D grid (70.51938s) started
T01 >> 1462332301.73697805 van der Waals (67.99909s) started
T01 >> 1462332301.77942610 semilocal (15.64274s) started
T01 << 1462332304.00809097 semilocal (17.87141s) stopped
T01 >> 1462332304.03950310 redistribute (7.85469s) started
T01 << 1462332304.42243099 redistribute (8.23762s) stopped
T01 >> 1462332304.42247200 libvdwxc nonlocal (43.98551s) started
T01 << 1462332310.70669603 libvdwxc nonlocal (50.26973s) stopped
T01 >> 1462332310.70673609 redistribute (8.23765s) started
T01 << 1462332311.44564700 redistribute (8.97656s) stopped
T01 << 1462332311.44675398 van der Waals (77.70887s) stopped
T01 << 1462332311.62455201 XC 3D grid (80.58622s) stopped
T01 >> 1462332311.62459207 Poisson (20.60007s) started
T01 << 1462332315.04118800 Poisson (24.01667s) stopped
T01 >> 1462332315.04123497 Hartree integrate/restrict (0.58666s) started
T01 << 1462332315.05656290 Hartree integrate/restrict (0.60199s) stopped
T01 >> 1462332315.05667996 Hartree integrate/restrict (0.60208s) started
T01 << 1462332315.12153196 Hartree integrate/restrict (0.66693s) stopped
T01 >> 1462332315.14213204 Atomic (39.85667s) started
T01 >> 1462332315.15058303 XC Correction (39.77839s) started
T01 << 1462332320.84281397 XC Correction (45.47062s) stopped
T01 << 1462332320.84563899 Atomic (45.56018s) stopped
T01 >> 1462332320.84570599 Communicate (17.52853s) started
T01 << 1462332323.34408808 Communicate (20.02691s) stopped
T01 << 1462332323.34411311 Hamiltonian (171.09580s) stopped
T01 >> 1462332323.34415102 LCAO eigensolver (66.05534s) started
T01 >> 1462332323.34416294 Potential matrix (2.03891s) started
T01 << 1462332323.60105801 Potential matrix (2.29581s) stopped
T01 >> 1462332323.60111403 DistributedAtomicCorrection (10.87624s) started
T01 << 1462332324.95744896 DistributedAtomicCorrection (12.23257s) stopped
T01 >> 1462332324.95748401 Distribute overlap matrix (8.77236s) started
T01 >> 1462332324.95750308 blocked summation (8.28797s) started
T01 << 1462332325.99297595 blocked summation (9.32345s) stopped
T01 >> 1462332325.99480009 Scalapack redistribute (0.47007s) started
T01 << 1462332326.05384207 Scalapack redistribute (0.52911s) stopped
T01 << 1462332326.05388498 Distribute overlap matrix (9.86876s) stopped
T01 >> 1462332326.05444908 Blacs Orbital Layouts (23.56116s) started
T01 >> 1462332326.05599594 General diagonalize (23.09531s) started
T01 << 1462332328.90861201 General diagonalize (25.94793s) stopped
T01 >> 1462332328.90865588 Redistribute coefs (0.02247s) started
T01 << 1462332328.91149211 Redistribute coefs (0.02531s) stopped
T01 >> 1462332328.91153097 Send coefs to domains (0.42923s) started
T01 << 1462332328.97256994 Send coefs to domains (0.49027s) stopped
T01 << 1462332328.97276711 Blacs Orbital Layouts (26.47947s) stopped
T01 >> 1462332328.97279406 Calculate projections (20.79989s) started
T01 << 1462332331.57046509 Calculate projections (23.39756s) stopped
T01 << 1462332331.57068610 LCAO eigensolver (74.28188s) stopped
T01 >> 1462332331.57131791 Density (16.45620s) started
T01 >> 1462332331.57133102 Pseudo density (13.60396s) started
T01 >> 1462332331.57170391 Calculate density matrix (12.23907s) started
T01 << 1462332333.09695697 Calculate density matrix (13.76432s) stopped
T01 >> 1462332333.09700894 Construct density (1.34341s) started
T01 << 1462332333.26480889 Construct density (1.51121s) stopped
T01 >> 1462332333.26674390 Symmetrize density (0.00032s) started
T01 << 1462332333.26677299 Symmetrize density (0.00035s) stopped
T01 << 1462332333.26715112 Pseudo density (15.29978s) stopped
T01 >> 1462332333.26717091 Atomic density matrices (1.90396s) started
T01 << 1462332333.50131512 Atomic density matrices (2.13810s) stopped
T01 >> 1462332333.50134611 Multipole moments (0.02451s) started
T01 << 1462332333.50439501 Multipole moments (0.02756s) stopped
T01 >> 1462332333.50441694 Normalize (0.00812s) started
T01 << 1462332333.50539589 Normalize (0.00909s) stopped
T01 >> 1462332333.50542903 Mix (0.91521s) started
T01 << 1462332333.62343693 Mix (1.03321s) stopped
T01 << 1462332333.62347794 Density (18.50836s) stopped
T01 >> 1462332333.62351394 Hamiltonian (171.09581s) started
T01 >> 1462332333.62353206 vbar (0.08754s) started
T01 << 1462332333.63441992 vbar (0.09843s) stopped
T01 >> 1462332333.63448000 XC 3D grid (80.58625s) started
T01 >> 1462332333.81390095 van der Waals (77.70890s) started
T01 >> 1462332333.85683990 semilocal (17.87148s) started
T01 << 1462332336.08579612 semilocal (20.10044s) stopped
T01 >> 1462332336.11761403 redistribute (8.97659s) started
T01 << 1462332336.50014591 redistribute (9.35913s) stopped
T01 >> 1462332336.50018597 libvdwxc nonlocal (50.26976s) started
T01 << 1462332342.79796505 libvdwxc nonlocal (56.56754s) stopped
T01 >> 1462332342.79800510 redistribute (9.35916s) started
T01 << 1462332343.53707290 redistribute (10.09822s) stopped
T01 << 1462332343.53830504 van der Waals (87.43330s) stopped
T01 << 1462332343.71504903 XC 3D grid (90.66682s) stopped
T01 >> 1462332343.71508908 Poisson (24.01670s) started
T01 << 1462332347.13404202 Poisson (27.43566s) stopped
T01 >> 1462332347.13409591 Hartree integrate/restrict (0.66695s) started
T01 << 1462332347.14944506 Hartree integrate/restrict (0.68230s) stopped
T01 >> 1462332347.14953303 Hartree integrate/restrict (0.68236s) started
T01 << 1462332347.21486902 Hartree integrate/restrict (0.74769s) stopped
T01 >> 1462332347.23611403 Atomic (45.56019s) started
T01 >> 1462332347.24456906 XC Correction (45.47064s) started
T01 << 1462332352.93017006 XC Correction (51.15624s) stopped
T01 << 1462332352.93298697 Atomic (51.25706s) stopped
T01 >> 1462332352.93305206 Communicate (20.02693s) started
T01 << 1462332355.43525290 Communicate (22.52913s) stopped
T01 << 1462332355.43527508 Hamiltonian (192.90757s) stopped
T01 >> 1462332355.43531108 LCAO eigensolver (74.28190s) started
T01 >> 1462332355.43532395 Potential matrix (2.29584s) started
T01 << 1462332355.69248199 Potential matrix (2.55299s) stopped
T01 >> 1462332355.69253802 DistributedAtomicCorrection (12.23260s) started
T01 << 1462332357.05286598 DistributedAtomicCorrection (13.59292s) stopped
T01 >> 1462332357.05290294 Distribute overlap matrix (9.86877s) started
T01 >> 1462332357.05292106 blocked summation (9.32348s) started
T01 << 1462332358.08283496 blocked summation (10.35339s) stopped
T01 >> 1462332358.08463001 Scalapack redistribute (0.52914s) started
T01 << 1462332358.14468002 Scalapack redistribute (0.58919s) stopped
T01 << 1462332358.14472198 Distribute overlap matrix (10.96059s) stopped
T01 >> 1462332358.14530301 Blacs Orbital Layouts (26.47949s) started
T01 >> 1462332358.14677501 General diagonalize (25.94797s) started
T01 << 1462332361.02226210 General diagonalize (28.82345s) stopped
T01 >> 1462332361.02230310 Redistribute coefs (0.02534s) started
T01 << 1462332361.02507305 Redistribute coefs (0.02811s) stopped
T01 >> 1462332361.02511096 Send coefs to domains (0.49031s) started
T01 << 1462332361.07310200 Send coefs to domains (0.53830s) stopped
T01 << 1462332361.07327390 Blacs Orbital Layouts (29.40746s) stopped
T01 >> 1462332361.07330203 Calculate projections (23.39761s) started
T01 << 1462332363.67159796 Calculate projections (25.99590s) stopped
T01 << 1462332363.67181897 LCAO eigensolver (82.51841s) stopped
T01 >> 1462332363.67243791 Density (18.50837s) started
T01 >> 1462332363.67245007 Pseudo density (15.29979s) started
T01 >> 1462332363.67284894 Calculate density matrix (13.76436s) started
T01 << 1462332365.19548392 Calculate density matrix (15.28699s) stopped
T01 >> 1462332365.19553399 Construct density (1.51124s) started
T01 << 1462332365.36338496 Construct density (1.67909s) stopped
T01 >> 1462332365.36532807 Symmetrize density (0.00036s) started
T01 << 1462332365.36535597 Symmetrize density (0.00039s) stopped
T01 << 1462332365.36573505 Pseudo density (16.99308s) stopped
T01 >> 1462332365.36575389 Atomic density matrices (2.13813s) started
T01 << 1462332365.60214305 Atomic density matrices (2.37452s) stopped
T01 >> 1462332365.60217404 Multipole moments (0.02758s) started
T01 << 1462332365.60522294 Multipole moments (0.03062s) stopped
T01 >> 1462332365.60524511 Normalize (0.00912s) started
T01 << 1462332365.60623908 Normalize (0.01011s) stopped
T01 >> 1462332365.60627198 Mix (1.03325s) started
T01 << 1462332365.72520709 Mix (1.15219s) stopped
T01 << 1462332365.72527504 Density (20.56121s) stopped
T01 >> 1462332365.72530890 Hamiltonian (192.90758s) started
T01 >> 1462332365.72532606 vbar (0.09846s) started
T01 << 1462332365.73622704 vbar (0.10936s) stopped
T01 >> 1462332365.73630309 XC 3D grid (90.66685s) started
T01 >> 1462332365.91575408 van der Waals (87.43335s) started
T01 >> 1462332365.95740294 semilocal (20.10052s) started
T01 << 1462332368.18489504 semilocal (22.32801s) stopped
T01 >> 1462332368.21556211 redistribute (10.09826s) started
T01 << 1462332368.59472489 redistribute (10.47742s) stopped
T01 >> 1462332368.59476590 libvdwxc nonlocal (56.56757s) started
T01 << 1462332374.85874295 libvdwxc nonlocal (62.83155s) stopped
T01 >> 1462332374.85878396 redistribute (10.47745s) started
T01 << 1462332375.59651303 redistribute (11.21518s) stopped
T01 << 1462332375.59761405 van der Waals (97.11521s) stopped
T01 << 1462332375.77488995 XC 3D grid (100.70544s) stopped
T01 >> 1462332375.77492595 Poisson (27.43570s) started
T01 << 1462332378.63490295 Poisson (30.29567s) stopped
T01 >> 1462332378.63495207 Hartree integrate/restrict (0.74772s) started
T01 << 1462332378.65033293 Hartree integrate/restrict (0.76310s) stopped
T01 >> 1462332378.65041399 Hartree integrate/restrict (0.76315s) started
T01 << 1462332378.71567106 Hartree integrate/restrict (0.82841s) stopped
T01 >> 1462332378.73712611 Atomic (51.25708s) started
T01 >> 1462332378.74558592 XC Correction (51.15626s) started
T01 << 1462332384.41806412 XC Correction (56.82874s) stopped
T01 << 1462332384.42089200 Atomic (56.94085s) stopped
T01 >> 1462332384.42095995 Communicate (22.52914s) started
T01 << 1462332386.95078707 Communicate (25.05897s) stopped
T01 << 1462332386.95080900 Hamiltonian (214.13308s) stopped
T01 >> 1462332386.95084405 LCAO eigensolver (82.51842s) started
T01 >> 1462332386.95085597 Potential matrix (2.55302s) started
T01 << 1462332387.20922804 Potential matrix (2.81139s) stopped
T01 >> 1462332387.20929003 DistributedAtomicCorrection (13.59295s) started
T01 << 1462332388.57040501 DistributedAtomicCorrection (14.95406s) stopped
T01 >> 1462332388.57044196 Distribute overlap matrix (10.96060s) started
T01 >> 1462332388.57046103 blocked summation (10.35342s) started
T01 << 1462332389.60262203 blocked summation (11.38558s) stopped
T01 >> 1462332389.60441899 Scalapack redistribute (0.58922s) started
T01 << 1462332389.66503596 Scalapack redistribute (0.64983s) stopped
T01 << 1462332389.66507792 Distribute overlap matrix (12.05524s) stopped
T01 >> 1462332389.66564298 Blacs Orbital Layouts (29.40748s) started
T01 >> 1462332389.66709089 General diagonalize (28.82348s) started
T01 << 1462332392.52021694 General diagonalize (31.67661s) stopped
T01 >> 1462332392.52025890 Redistribute coefs (0.02814s) started
T01 << 1462332392.52304697 Redistribute coefs (0.03093s) stopped
T01 >> 1462332392.52308393 Send coefs to domains (0.53833s) started
T01 << 1462332392.57205391 Send coefs to domains (0.58730s) stopped
T01 << 1462332392.57222390 Blacs Orbital Layouts (32.31406s) stopped
T01 >> 1462332392.57224989 Calculate projections (25.99595s) started
T01 << 1462332395.16990805 Calculate projections (28.59361s) stopped
T01 << 1462332395.17013001 LCAO eigensolver (90.73771s) stopped
T01 >> 1462332395.17075896 Density (20.56122s) started
T01 >> 1462332395.17077088 Pseudo density (16.99309s) started
T01 >> 1462332395.17115998 Calculate density matrix (15.28703s) started
T01 << 1462332396.69760203 Calculate density matrix (16.81347s) stopped
T01 >> 1462332396.69765711 Construct density (1.67912s) started
T01 << 1462332396.86546397 Construct density (1.84693s) stopped
T01 >> 1462332396.86739397 Symmetrize density (0.00040s) started
T01 << 1462332396.86742306 Symmetrize density (0.00043s) stopped
T01 << 1462332396.86780810 Pseudo density (18.69013s) stopped
T01 >> 1462332396.86782694 Atomic density matrices (2.37454s) started
T01 << 1462332397.10226107 Atomic density matrices (2.60897s) stopped
T01 >> 1462332397.10229111 Multipole moments (0.03064s) started
T01 << 1462332397.10531712 Multipole moments (0.03366s) stopped
T01 >> 1462332397.10534000 Normalize (0.01014s) started
T01 << 1462332397.10632491 Normalize (0.01112s) stopped
T01 >> 1462332397.10636497 Mix (1.15226s) started
T01 << 1462332397.22520399 Mix (1.27109s) stopped
T01 << 1462332397.22524190 Density (22.61570s) stopped
T01 >> 1462332397.22527194 Hamiltonian (214.13310s) started
T01 >> 1462332397.22528791 vbar (0.10941s) started
T01 << 1462332397.23604107 vbar (0.12016s) stopped
T01 >> 1462332397.23610806 XC 3D grid (100.70546s) started
T01 >> 1462332397.41711402 van der Waals (97.11524s) started
T01 >> 1462332397.45936990 semilocal (22.32814s) started
T01 << 1462332399.67693400 semilocal (24.54570s) stopped
T01 >> 1462332399.70837998 redistribute (11.21523s) started
T01 << 1462332400.09482908 redistribute (11.60168s) stopped
T01 >> 1462332400.09486890 libvdwxc nonlocal (62.83158s) started
T01 << 1462332406.36269689 libvdwxc nonlocal (69.09941s) stopped
T01 >> 1462332406.36273599 redistribute (11.60171s) started
T01 << 1462332407.10805988 redistribute (12.34704s) stopped
T01 << 1462332407.10944700 van der Waals (106.80757s) stopped
T01 << 1462332407.29007006 XC 3D grid (110.75943s) stopped
T01 >> 1462332407.29010892 Poisson (30.29571s) started
T01 << 1462332410.15194106 Poisson (33.15754s) stopped
T01 >> 1462332410.15199208 Hartree integrate/restrict (0.82844s) started
T01 << 1462332410.16734004 Hartree integrate/restrict (0.84379s) stopped
T01 >> 1462332410.16743994 Hartree integrate/restrict (0.84385s) started
T01 << 1462332410.23279905 Hartree integrate/restrict (0.90921s) stopped
T01 >> 1462332410.25445604 Atomic (56.94086s) started
T01 >> 1462332410.26290202 XC Correction (56.82876s) started
T01 << 1462332415.95793796 XC Correction (62.52380s) stopped
T01 << 1462332415.96076012 Atomic (62.64717s) stopped
T01 >> 1462332415.96082807 Communicate (25.05898s) started
T01 << 1462332418.46674609 Communicate (27.56490s) stopped
T01 << 1462332418.46677089 Hamiltonian (235.37460s) stopped
T01 >> 1462332418.46680808 LCAO eigensolver (90.73773s) started
T01 >> 1462332418.46682096 Potential matrix (2.81143s) started
T01 << 1462332418.72113204 Potential matrix (3.06574s) stopped
T01 >> 1462332418.72118902 DistributedAtomicCorrection (14.95409s) started
T01 << 1462332420.07833791 DistributedAtomicCorrection (16.31124s) stopped
T01 >> 1462332420.07837391 Distribute overlap matrix (12.05525s) started
T01 >> 1462332420.07839298 blocked summation (11.38561s) started
T01 << 1462332421.10743594 blocked summation (12.41465s) stopped
T01 >> 1462332421.10915995 Scalapack redistribute (0.64986s) started
T01 << 1462332421.16681600 Scalapack redistribute (0.70752s) stopped
T01 << 1462332421.16685796 Distribute overlap matrix (13.14373s) stopped
T01 >> 1462332421.16744208 Blacs Orbital Layouts (32.31408s) started
T01 >> 1462332421.16937304 General diagonalize (31.67664s) started
T01 << 1462332424.06080008 General diagonalize (34.56807s) stopped
T01 >> 1462332424.06083989 Redistribute coefs (0.03095s) started
T01 << 1462332424.06290507 Redistribute coefs (0.03302s) stopped
T01 >> 1462332424.06294799 Send coefs to domains (0.58734s) started
T01 << 1462332424.11447692 Send coefs to domains (0.63886s) stopped
T01 << 1462332424.11477494 Blacs Orbital Layouts (35.26141s) stopped
T01 >> 1462332424.11479998 Calculate projections (28.59366s) started
T01 << 1462332426.71233797 Calculate projections (31.19119s) stopped
T01 << 1462332426.71255207 LCAO eigensolver (98.98347s) stopped
T01 >> 1462332426.71319699 Density (22.61572s) started
T01 >> 1462332426.71321011 Pseudo density (18.69014s) started
T01 >> 1462332426.71356201 Calculate density matrix (16.81351s) started
T01 << 1462332428.24267006 Calculate density matrix (18.34262s) stopped
T01 >> 1462332428.24271894 Construct density (1.84696s) started
T01 << 1462332428.41062903 Construct density (2.01487s) stopped
T01 >> 1462332428.41259694 Symmetrize density (0.00044s) started
T01 << 1462332428.41262889 Symmetrize density (0.00047s) stopped
T01 << 1462332428.41300797 Pseudo density (20.38994s) stopped
T01 >> 1462332428.41302705 Atomic density matrices (2.60900s) started
T01 << 1462332428.64911008 Atomic density matrices (2.84508s) stopped
T01 >> 1462332428.64913988 Multipole moments (0.03368s) started
T01 << 1462332428.65217495 Multipole moments (0.03671s) stopped
T01 >> 1462332428.65219808 Normalize (0.01115s) started
T01 << 1462332428.65318394 Normalize (0.01214s) stopped
T01 >> 1462332428.65322495 Mix (1.27113s) started
T01 << 1462332428.77161503 Mix (1.38952s) stopped
T01 << 1462332428.77165794 Density (24.67418s) stopped
T01 >> 1462332428.77168703 Hamiltonian (235.37461s) started
T01 >> 1462332428.77170300 vbar (0.12019s) started
T01 << 1462332428.78251910 vbar (0.13101s) stopped
T01 >> 1462332428.78258395 XC 3D grid (110.75945s) started
T01 >> 1462332428.96032095 van der Waals (106.80766s) started
T01 >> 1462332429.00383806 semilocal (24.54578s) started
T01 << 1462332431.22963500 semilocal (26.77157s) stopped
T01 >> 1462332431.26170993 redistribute (12.34707s) started
T01 << 1462332431.64516211 redistribute (12.73053s) stopped
T01 >> 1462332431.64520311 libvdwxc nonlocal (69.09944s) started
T01 << 1462332437.97570992 libvdwxc nonlocal (75.42994s) stopped
T01 >> 1462332437.97575307 redistribute (12.73056s) started
T01 << 1462332438.72521210 redistribute (13.48002s) stopped
T01 << 1462332438.72655010 van der Waals (116.57389s) stopped
T01 << 1462332438.90615797 XC 3D grid (120.88303s) stopped
T01 >> 1462332438.90619707 Poisson (33.15758s) started
T01 << 1462332442.32782507 Poisson (36.57921s) stopped
T01 >> 1462332442.32786989 Hartree integrate/restrict (0.90924s) started
T01 << 1462332442.34347010 Hartree integrate/restrict (0.92484s) stopped
T01 >> 1462332442.34353900 Hartree integrate/restrict (0.92488s) started
T01 << 1462332442.40959191 Hartree integrate/restrict (0.99093s) stopped
T01 >> 1462332442.43085790 Atomic (62.64718s) started
T01 >> 1462332442.43932104 XC Correction (62.52382s) started
T01 << 1462332448.11363792 XC Correction (68.19813s) stopped
T01 << 1462332448.11644697 Atomic (68.33277s) stopped
T01 >> 1462332448.11651492 Communicate (27.56492s) started
T01 << 1462332450.64967608 Communicate (30.09808s) stopped
T01 << 1462332450.64969897 Hamiltonian (257.25262s) stopped
T01 >> 1462332450.64973402 LCAO eigensolver (98.98349s) started
T01 >> 1462332450.64974594 Potential matrix (3.06577s) started
T01 << 1462332450.90394092 Potential matrix (3.31997s) stopped
T01 >> 1462332450.90399599 DistributedAtomicCorrection (16.31126s) started
T01 << 1462332452.25575709 DistributedAtomicCorrection (17.66302s) stopped
T01 >> 1462332452.25579190 Distribute overlap matrix (13.14374s) started
T01 >> 1462332452.25581098 blocked summation (12.41468s) started
T01 << 1462332453.31255603 blocked summation (13.47143s) stopped
T01 >> 1462332453.31404090 Scalapack redistribute (0.70755s) started
T01 << 1462332453.37249088 Scalapack redistribute (0.76600s) stopped
T01 << 1462332453.37253189 Distribute overlap matrix (14.26048s) stopped
T01 >> 1462332453.37309790 Blacs Orbital Layouts (35.26142s) started
T01 >> 1462332453.37515497 General diagonalize (34.56810s) started
T01 << 1462332456.25451493 General diagonalize (37.44746s) stopped
T01 >> 1462332456.25455689 Redistribute coefs (0.03305s) started
T01 << 1462332456.25664496 Redistribute coefs (0.03514s) stopped
T01 >> 1462332456.25671792 Send coefs to domains (0.63890s) started
T01 << 1462332456.30700397 Send coefs to domains (0.68918s) stopped
T01 << 1462332456.30729604 Blacs Orbital Layouts (38.19562s) stopped
T01 >> 1462332456.30732107 Calculate projections (31.19124s) started
T01 << 1462332458.90600705 Calculate projections (33.78992s) stopped
T01 << 1462332458.90622711 LCAO eigensolver (107.23998s) stopped
T01 >> 1462332458.90684891 Density (24.67419s) started
T01 >> 1462332458.90686202 Pseudo density (20.38996s) started
T01 >> 1462332458.90723109 Calculate density matrix (18.34265s) started
T01 << 1462332460.43175697 Calculate density matrix (19.86718s) stopped
T01 >> 1462332460.43180609 Construct density (2.01490s) started
T01 << 1462332460.59956193 Construct density (2.18265s) stopped
T01 >> 1462332460.60150099 Symmetrize density (0.00048s) started
T01 << 1462332460.60153008 Symmetrize density (0.00051s) stopped
T01 << 1462332460.60191298 Pseudo density (22.08501s) stopped
T01 >> 1462332460.60193205 Atomic density matrices (2.84510s) started
T01 << 1462332460.84004402 Atomic density matrices (3.08321s) stopped
T01 >> 1462332460.84007502 Multipole moments (0.03673s) started
T01 << 1462332460.84311104 Multipole moments (0.03977s) stopped
T01 >> 1462332460.84313297 Normalize (0.01217s) started
T01 << 1462332460.84412289 Normalize (0.01316s) stopped
T01 >> 1462332460.84418797 Mix (1.38956s) started
T01 << 1462332460.96310210 Mix (1.50848s) stopped
T01 << 1462332460.96318412 Density (26.73053s) stopped
T01 >> 1462332460.96322107 Hamiltonian (257.25263s) started
T01 >> 1462332460.96323705 vbar (0.13105s) started
T01 << 1462332460.97388411 vbar (0.14169s) stopped
T01 >> 1462332460.97396708 XC 3D grid (120.88306s) started
T01 >> 1462332461.15177488 van der Waals (116.57393s) started
T01 >> 1462332461.19487405 semilocal (26.77165s) started
T01 << 1462332463.41836405 semilocal (28.99514s) stopped
T01 >> 1462332463.44905806 redistribute (13.48005s) started
T01 << 1462332463.83888102 redistribute (13.86987s) stopped
T01 >> 1462332463.83892012 libvdwxc nonlocal (75.42997s) started
T01 << 1462332470.15919399 libvdwxc nonlocal (81.75025s) stopped
T01 >> 1462332470.15926099 redistribute (13.86990s) started
T01 << 1462332470.91276312 redistribute (14.62341s) stopped
T01 << 1462332470.91412902 van der Waals (126.33629s) stopped
T01 << 1462332471.09409595 XC 3D grid (131.00319s) stopped
T01 >> 1462332471.09414792 Poisson (36.57924s) started
T01 << 1462332473.95065594 Poisson (39.43575s) stopped
T01 >> 1462332473.95075202 Hartree integrate/restrict (0.99097s) started
T01 << 1462332473.96612000 Hartree integrate/restrict (1.00634s) stopped
T01 >> 1462332473.96627307 Hartree integrate/restrict (1.00645s) started
T01 << 1462332474.03164911 Hartree integrate/restrict (1.07182s) stopped
T01 >> 1462332474.05395699 Atomic (68.33279s) started
T01 >> 1462332474.06244206 XC Correction (68.19815s) started
T01 << 1462332479.73611212 XC Correction (73.87182s) stopped
T01 << 1462332479.73893309 Atomic (74.01776s) stopped
T01 >> 1462332479.73899794 Communicate (30.09810s) started
T01 << 1462332482.26080799 Communicate (32.61991s) stopped
T01 << 1462332482.26083112 Hamiltonian (278.55024s) stopped
T01 >> 1462332482.26086593 LCAO eigensolver (107.24000s) started
T01 >> 1462332482.26087809 Potential matrix (3.32000s) started
T01 << 1462332482.51554799 Potential matrix (3.57467s) stopped
T01 >> 1462332482.51560307 DistributedAtomicCorrection (17.66305s) started
T01 << 1462332483.86881995 DistributedAtomicCorrection (19.01627s) stopped
T01 >> 1462332483.86885595 Distribute overlap matrix (14.26050s) started
T01 >> 1462332483.86887503 blocked summation (13.47146s) started
T01 << 1462332484.91780210 blocked summation (14.52039s) stopped
T01 >> 1462332484.91929197 Scalapack redistribute (0.76603s) started
T01 << 1462332484.97702789 Scalapack redistribute (0.82377s) stopped
T01 << 1462332484.97707009 Distribute overlap matrix (15.36871s) stopped
T01 >> 1462332484.97762299 Blacs Orbital Layouts (38.19564s) started
T01 >> 1462332484.97964096 General diagonalize (37.44749s) started
T01 << 1462332487.84873796 General diagonalize (40.31659s) stopped
T01 >> 1462332487.84877896 Redistribute coefs (0.03520s) started
T01 << 1462332487.85084701 Redistribute coefs (0.03727s) stopped
T01 >> 1462332487.85093689 Send coefs to domains (0.68922s) started
T01 << 1462332487.90143704 Send coefs to domains (0.73972s) stopped
T01 << 1462332487.90172911 Blacs Orbital Layouts (41.11974s) stopped
T01 >> 1462332487.90175509 Calculate projections (33.78997s) started
T01 << 1462332490.49906898 Calculate projections (36.38728s) stopped
T01 << 1462332490.49928308 LCAO eigensolver (115.47841s) stopped
T01 >> 1462332490.49991703 Density (26.73054s) started
T01 >> 1462332490.49992990 Pseudo density (22.08502s) started
T01 >> 1462332490.50031304 Calculate density matrix (19.86721s) started
T01 << 1462332492.02678204 Calculate density matrix (21.39368s) stopped
T01 >> 1462332492.02683496 Construct density (2.18268s) started
T01 << 1462332492.19469595 Construct density (2.35054s) stopped
T01 >> 1462332492.19664407 Symmetrize density (0.00052s) started
T01 << 1462332492.19667292 Symmetrize density (0.00055s) stopped
T01 << 1462332492.19705296 Pseudo density (23.78214s) stopped
T01 >> 1462332492.19707394 Atomic density matrices (3.08324s) started
T01 << 1462332492.43605709 Atomic density matrices (3.32222s) stopped
T01 >> 1462332492.43608809 Multipole moments (0.03978s) started
T01 << 1462332492.43914008 Multipole moments (0.04283s) stopped
T01 >> 1462332492.43916202 Normalize (0.01322s) started
T01 << 1462332492.44014597 Normalize (0.01420s) stopped
T01 >> 1462332492.44018602 Mix (1.50856s) started
T01 << 1462332492.55912900 Mix (1.62750s) stopped
T01 << 1462332492.55920196 Density (28.78982s) stopped
T01 >> 1462332492.55924106 Hamiltonian (278.55025s) started
T01 >> 1462332492.55925703 vbar (0.14174s) started
T01 << 1462332492.56989789 vbar (0.15238s) stopped
T01 >> 1462332492.56996298 XC 3D grid (131.00323s) started
T01 >> 1462332492.74861407 van der Waals (126.33632s) started
T01 >> 1462332492.79163098 semilocal (28.99521s) started
T01 << 1462332495.00314903 semilocal (31.20672s) stopped
T01 >> 1462332495.03417897 redistribute (14.62344s) started
T01 << 1462332495.43342209 redistribute (15.02268s) stopped
T01 >> 1462332495.43346190 libvdwxc nonlocal (81.75030s) started
T01 << 1462332501.72227907 libvdwxc nonlocal (88.03912s) stopped
T01 >> 1462332501.72232008 redistribute (15.02271s) started
T01 << 1462332502.46627903 redistribute (15.76667s) stopped
T01 << 1462332502.46785402 van der Waals (136.05556s) stopped
T01 << 1462332502.64481497 XC 3D grid (141.07808s) stopped
T01 >> 1462332502.64485502 Poisson (39.43583s) started
T01 << 1462332505.49863505 Poisson (42.28961s) stopped
T01 >> 1462332505.49869609 Hartree integrate/restrict (1.07187s) started
T01 << 1462332505.51418090 Hartree integrate/restrict (1.08735s) stopped
T01 >> 1462332505.51424408 Hartree integrate/restrict (1.08740s) started
T01 << 1462332505.57983899 Hartree integrate/restrict (1.15299s) stopped
T01 >> 1462332505.60127091 Atomic (74.01778s) started
T01 >> 1462332505.60980892 XC Correction (73.87184s) started
T01 << 1462332511.30653191 XC Correction (79.56857s) stopped
T01 << 1462332511.30937600 Atomic (79.72589s) stopped
T01 >> 1462332511.30944490 Communicate (32.61992s) started
T01 << 1462332513.80732608 Communicate (35.11780s) stopped
T01 << 1462332513.80734897 Hamiltonian (299.79836s) stopped
T01 >> 1462332513.80738497 LCAO eigensolver (115.47843s) started
T01 >> 1462332513.80739808 Potential matrix (3.57470s) started
T01 << 1462332514.06354809 Potential matrix (3.83085s) stopped
T01 >> 1462332514.06361103 DistributedAtomicCorrection (19.01629s) started
T01 << 1462332515.41559196 DistributedAtomicCorrection (20.36827s) stopped
T01 >> 1462332515.41563201 Distribute overlap matrix (15.36872s) started
T01 >> 1462332515.41565108 blocked summation (14.52042s) started
T01 << 1462332516.45851588 blocked summation (15.56328s) stopped
T01 >> 1462332516.46003199 Scalapack redistribute (0.82379s) started
T01 << 1462332516.51808906 Scalapack redistribute (0.88185s) stopped
T01 << 1462332516.51813102 Distribute overlap matrix (16.47122s) stopped
T01 >> 1462332516.51869702 Blacs Orbital Layouts (41.11976s) started
T01 >> 1462332516.52072906 General diagonalize (40.31662s) started
T01 << 1462332519.40465403 General diagonalize (43.20055s) stopped
T01 >> 1462332519.40469503 Redistribute coefs (0.03734s) started
T01 << 1462332519.40675998 Redistribute coefs (0.03940s) stopped
T01 >> 1462332519.40685105 Send coefs to domains (0.73975s) started
T01 << 1462332519.45723104 Send coefs to domains (0.79013s) stopped
T01 << 1462332519.45753193 Blacs Orbital Layouts (44.05860s) stopped
T01 >> 1462332519.45755696 Calculate projections (36.38732s) started
T01 << 1462332522.05478096 Calculate projections (38.98455s) stopped
T01 << 1462332522.05499792 LCAO eigensolver (123.72604s) stopped
T01 >> 1462332522.05568910 Density (28.78984s) started
T01 >> 1462332522.05570102 Pseudo density (23.78216s) started
T01 >> 1462332522.05608010 Calculate density matrix (21.39371s) started
T01 << 1462332523.58292508 Calculate density matrix (22.92056s) stopped
T01 >> 1462332523.58297491 Construct density (2.35057s) started
T01 << 1462332523.75082994 Construct density (2.51843s) stopped
T01 >> 1462332523.75276709 Symmetrize density (0.00056s) started
T01 << 1462332523.75279593 Symmetrize density (0.00059s) stopped
T01 << 1462332523.75319409 Pseudo density (25.47965s) stopped
T01 >> 1462332523.75321388 Atomic density matrices (3.32224s) started
T01 << 1462332523.98920894 Atomic density matrices (3.55824s) stopped
T01 >> 1462332523.98923898 Multipole moments (0.04285s) started
T01 << 1462332523.99229193 Multipole moments (0.04590s) stopped
T01 >> 1462332523.99231410 Normalize (0.01423s) started
T01 << 1462332523.99329996 Normalize (0.01522s) stopped
T01 >> 1462332523.99334002 Mix (1.62757s) started
T01 << 1462332524.11180711 Mix (1.74604s) stopped
T01 << 1462332524.11185789 Density (30.84601s) stopped
T01 >> 1462332524.11189389 Hamiltonian (299.79837s) started
T01 >> 1462332524.11191010 vbar (0.15242s) started
T01 << 1462332524.12275910 vbar (0.16327s) stopped
T01 >> 1462332524.12281394 XC 3D grid (141.07811s) started
T01 >> 1462332524.30987597 van der Waals (136.05560s) started
T01 >> 1462332524.34968209 semilocal (31.20680s) started
T01 << 1462332526.57525396 semilocal (33.43237s) stopped
T01 >> 1462332526.60429311 redistribute (15.76671s) started
T01 << 1462332526.98794794 redistribute (16.15036s) stopped
T01 >> 1462332526.98798800 libvdwxc nonlocal (88.03915s) started
T01 << 1462332533.26358604 libvdwxc nonlocal (94.31475s) stopped
T01 >> 1462332533.26363707 redistribute (16.15039s) started
T01 << 1462332534.00189090 redistribute (16.88865s) stopped
T01 << 1462332534.00299311 van der Waals (145.74871s) stopped
T01 << 1462332534.17900801 XC 3D grid (151.13431s) stopped
T01 >> 1462332534.17904711 Poisson (42.28965s) started
T01 << 1462332537.04226089 Poisson (45.15286s) stopped
T01 >> 1462332537.04231191 Hartree integrate/restrict (1.15302s) started
T01 << 1462332537.05771899 Hartree integrate/restrict (1.16843s) stopped
T01 >> 1462332537.05782294 Hartree integrate/restrict (1.16850s) started
T01 << 1462332537.12219596 Hartree integrate/restrict (1.23287s) stopped
T01 >> 1462332537.14037895 Atomic (79.72590s) started
T01 >> 1462332537.14891505 XC Correction (79.56859s) started
T01 << 1462332542.81271791 XC Correction (85.23239s) stopped
T01 << 1462332542.81555295 Atomic (85.40108s) stopped
T01 >> 1462332542.81562400 Communicate (35.11782s) started
T01 << 1462332545.43019700 Communicate (37.73239s) stopped
T01 << 1462332545.43022799 Hamiltonian (321.11671s) stopped
T01 >> 1462332545.43027806 LCAO eigensolver (123.72606s) started
T01 >> 1462332545.43029189 Potential matrix (3.83088s) started
T01 << 1462332545.68774700 Potential matrix (4.08834s) stopped
T01 >> 1462332545.68780303 DistributedAtomicCorrection (20.36830s) started
T01 << 1462332547.04570007 DistributedAtomicCorrection (21.72619s) stopped
T01 >> 1462332547.04573703 Distribute overlap matrix (16.47123s) started
T01 >> 1462332547.04575610 blocked summation (15.56331s) started
T01 << 1462332548.09912205 blocked summation (16.61668s) stopped
T01 >> 1462332548.10097289 Scalapack redistribute (0.88188s) started
T01 << 1462332548.16122198 Scalapack redistribute (0.94213s) stopped
T01 << 1462332548.16126394 Distribute overlap matrix (17.58676s) stopped
T01 >> 1462332548.16183496 Blacs Orbital Layouts (44.05861s) started
T01 >> 1462332548.16336894 General diagonalize (43.20058s) started
T01 << 1462332551.04259491 General diagonalize (46.07980s) stopped
T01 >> 1462332551.04263997 Redistribute coefs (0.03948s) started
T01 << 1462332551.04538703 Redistribute coefs (0.04223s) stopped
T01 >> 1462332551.04542589 Send coefs to domains (0.79017s) started
T01 << 1462332551.09516406 Send coefs to domains (0.83991s) stopped
T01 << 1462332551.09534311 Blacs Orbital Layouts (46.99212s) stopped
T01 >> 1462332551.09536910 Calculate projections (38.98459s) started
T01 << 1462332553.69250607 Calculate projections (41.58173s) stopped
T01 << 1462332553.69272208 LCAO eigensolver (131.98850s) stopped
T01 >> 1462332553.69335508 Density (30.84602s) started
T01 >> 1462332553.69336700 Pseudo density (25.47967s) started
T01 >> 1462332553.69375396 Calculate density matrix (22.92059s) started
T01 << 1462332555.22002411 Calculate density matrix (24.44686s) stopped
T01 >> 1462332555.22007608 Construct density (2.51846s) started
T01 << 1462332555.38798499 Construct density (2.68637s) stopped
T01 >> 1462332555.38991904 Symmetrize density (0.00063s) started
T01 << 1462332555.38994789 Symmetrize density (0.00065s) stopped
T01 << 1462332555.39032793 Pseudo density (27.17663s) stopped
T01 >> 1462332555.39034700 Atomic density matrices (3.55826s) started
T01 << 1462332555.62956691 Atomic density matrices (3.79748s) stopped
T01 >> 1462332555.62959790 Multipole moments (0.04592s) started
T01 << 1462332555.63267112 Multipole moments (0.04899s) stopped
T01 >> 1462332555.63269305 Normalize (0.01525s) started
T01 << 1462332555.63367701 Normalize (0.01623s) stopped
T01 >> 1462332555.63371897 Mix (1.74608s) started
T01 << 1462332555.75260592 Mix (1.86497s) stopped
T01 << 1462332555.75265193 Density (32.90532s) stopped
T01 >> 1462332555.75268412 Hamiltonian (321.11672s) started
T01 >> 1462332555.75270104 vbar (0.16330s) started
T01 << 1462332555.76333904 vbar (0.17394s) stopped
T01 >> 1462332555.76339197 XC 3D grid (151.13434s) started
T01 >> 1462332555.94441509 van der Waals (145.74874s) started
T01 >> 1462332555.98667502 semilocal (33.43246s) started
T01 << 1462332558.22448802 semilocal (35.67027s) stopped
T01 >> 1462332558.25439405 redistribute (16.88869s) started
T01 << 1462332558.63452792 redistribute (17.26882s) stopped
T01 >> 1462332558.63456893 libvdwxc nonlocal (94.31478s) started
T01 << 1462332564.96191597 libvdwxc nonlocal (100.64212s) stopped
T01 >> 1462332564.96196389 redistribute (17.26885s) started
T01 << 1462332565.71098089 redistribute (18.01787s) stopped
T01 << 1462332565.71272612 van der Waals (155.51706s) stopped
T01 << 1462332565.89190006 XC 3D grid (161.26285s) stopped
T01 >> 1462332565.89194393 Poisson (45.15290s) started
T01 << 1462332568.76113796 Poisson (48.02209s) stopped
T01 >> 1462332568.76120996 Hartree integrate/restrict (1.23292s) started
T01 << 1462332568.77668500 Hartree integrate/restrict (1.24840s) stopped
T01 >> 1462332568.77675891 Hartree integrate/restrict (1.24844s) started
T01 << 1462332568.84237504 Hartree integrate/restrict (1.31406s) stopped
T01 >> 1462332568.86394501 Atomic (85.40109s) started
T01 >> 1462332568.87245011 XC Correction (85.23241s) started
T01 << 1462332574.56101704 XC Correction (90.92098s) stopped
T01 << 1462332574.56387711 Atomic (91.10103s) stopped
T01 >> 1462332574.56394696 Communicate (37.73241s) started
T01 << 1462332577.06777191 Communicate (40.23624s) stopped
T01 << 1462332577.06780791 Hamiltonian (342.43184s) stopped
T01 >> 1462332577.06786299 LCAO eigensolver (131.98852s) started
T01 >> 1462332577.06787610 Potential matrix (4.08837s) started
T01 << 1462332577.32291389 Potential matrix (4.34341s) stopped
T01 >> 1462332577.32297111 DistributedAtomicCorrection (21.72622s) started
T01 << 1462332578.67876911 DistributedAtomicCorrection (23.08202s) stopped
T01 >> 1462332578.67880392 Distribute overlap matrix (17.58677s) started
T01 >> 1462332578.67882395 blocked summation (16.61671s) started
T01 << 1462332579.71901298 blocked summation (17.65689s) stopped
T01 >> 1462332579.72088408 Scalapack redistribute (0.94216s) started
T01 << 1462332579.77901196 Scalapack redistribute (1.00029s) stopped
T01 << 1462332579.77905297 Distribute overlap matrix (18.68702s) stopped
T01 >> 1462332579.77960610 Blacs Orbital Layouts (46.99214s) started
T01 >> 1462332579.78110504 General diagonalize (46.07984s) started
T01 << 1462332582.65031195 General diagonalize (48.94905s) stopped
T01 >> 1462332582.65035200 Redistribute coefs (0.04226s) started
T01 << 1462332582.65312409 Redistribute coefs (0.04503s) stopped
T01 >> 1462332582.65316200 Send coefs to domains (0.83994s) started
T01 << 1462332582.70305300 Send coefs to domains (0.88983s) stopped
T01 << 1462332582.70324206 Blacs Orbital Layouts (49.91577s) stopped
T01 >> 1462332582.70326710 Calculate projections (41.58177s) started
T01 << 1462332585.30049491 Calculate projections (44.17900s) stopped
T01 << 1462332585.30071998 LCAO eigensolver (140.22138s) stopped
T01 >> 1462332585.30136704 Density (32.90533s) started
T01 >> 1462332585.30137897 Pseudo density (27.17664s) started
T01 >> 1462332585.30177498 Calculate density matrix (24.44690s) started
T01 << 1462332586.83180094 Calculate density matrix (25.97692s) stopped
T01 >> 1462332586.83185101 Construct density (2.68640s) started
T01 << 1462332586.99983692 Construct density (2.85438s) stopped
T01 >> 1462332587.00322509 Symmetrize density (0.00067s) started
T01 << 1462332587.00325704 Symmetrize density (0.00070s) stopped
T01 << 1462332587.00363994 Pseudo density (28.87890s) stopped
T01 >> 1462332587.00365996 Atomic density matrices (3.79750s) started
T01 << 1462332587.24166989 Atomic density matrices (4.03551s) stopped
T01 >> 1462332587.24169993 Multipole moments (0.04901s) started
T01 << 1462332587.24478793 Multipole moments (0.05209s) stopped
T01 >> 1462332587.24480891 Normalize (0.01627s) started
T01 << 1462332587.24578500 Normalize (0.01724s) stopped
T01 >> 1462332587.24582911 Mix (1.86502s) started
T01 << 1462332587.36456704 Mix (1.98375s) stopped
T01 << 1462332587.36460304 Density (34.96857s) stopped
T01 >> 1462332587.36463904 Hamiltonian (342.43185s) started
T01 >> 1462332587.36465597 vbar (0.17397s) started
T01 << 1462332587.37533092 vbar (0.18464s) stopped
T01 >> 1462332587.37543392 XC 3D grid (161.26288s) started
T01 >> 1462332587.55270195 van der Waals (155.51708s) started
T01 >> 1462332587.59544802 semilocal (35.67033s) started
T01 << 1462332589.82192612 semilocal (37.89681s) stopped
T01 >> 1462332589.85380912 redistribute (18.01790s) started
T01 << 1462332590.24567103 redistribute (18.40976s) stopped
T01 >> 1462332590.24571109 libvdwxc nonlocal (100.64216s) started
T01 << 1462332596.59929109 libvdwxc nonlocal (106.99574s) stopped
T01 >> 1462332596.59933996 redistribute (18.40979s) started
T01 << 1462332597.34579301 redistribute (19.15625s) stopped
T01 << 1462332597.34692502 van der Waals (165.31130s) stopped
T01 << 1462332597.52739811 XC 3D grid (171.41484s) stopped
T01 >> 1462332597.52743411 Poisson (48.02215s) started
T01 << 1462332599.82464790 Poisson (50.31936s) stopped
T01 >> 1462332599.82469106 Hartree integrate/restrict (1.31409s) started
T01 << 1462332599.84013796 Hartree integrate/restrict (1.32953s) stopped
T01 >> 1462332599.84028196 Hartree integrate/restrict (1.32964s) started
T01 << 1462332599.90614009 Hartree integrate/restrict (1.39549s) stopped
T01 >> 1462332599.92741108 Atomic (91.10104s) started
T01 >> 1462332599.93589902 XC Correction (90.92100s) started
T01 << 1462332605.62485290 XC Correction (96.60995s) stopped
T01 << 1462332605.62769794 Atomic (96.80133s) stopped
T01 >> 1462332605.62776589 Communicate (40.23626s) started
T01 << 1462332608.14827394 Communicate (42.75677s) stopped
T01 << 1462332608.14829993 Hamiltonian (363.21551s) stopped
T01 >> 1462332608.14833903 LCAO eigensolver (140.22139s) started
T01 >> 1462332608.14835191 Potential matrix (4.34344s) started
T01 << 1462332608.40243101 Potential matrix (4.59752s) stopped
T01 >> 1462332608.40248609 DistributedAtomicCorrection (23.08204s) started
T01 << 1462332609.76220298 DistributedAtomicCorrection (24.44176s) stopped
T01 >> 1462332609.76223898 Distribute overlap matrix (18.68703s) started
T01 >> 1462332609.76225805 blocked summation (17.65693s) started
T01 << 1462332610.80949998 blocked summation (18.70417s) stopped
T01 >> 1462332610.81122398 Scalapack redistribute (1.00032s) started
T01 << 1462332610.87043905 Scalapack redistribute (1.05953s) stopped
T01 << 1462332610.87048006 Distribute overlap matrix (19.79527s) stopped
T01 >> 1462332610.87103105 Blacs Orbital Layouts (49.91579s) started
T01 >> 1462332610.87254906 General diagonalize (48.94908s) started
T01 << 1462332613.74537206 General diagonalize (51.82190s) stopped
T01 >> 1462332613.74541211 Redistribute coefs (0.04506s) started
T01 << 1462332613.74812603 Redistribute coefs (0.04777s) stopped
T01 >> 1462332613.74816298 Send coefs to domains (0.88986s) started
T01 << 1462332613.79809499 Send coefs to domains (0.93980s) stopped
T01 << 1462332613.79828095 Blacs Orbital Layouts (52.84304s) stopped
T01 >> 1462332613.79830909 Calculate projections (44.17904s) started
T01 << 1462332616.40051007 Calculate projections (46.78124s) stopped
T01 << 1462332616.40074205 LCAO eigensolver (148.47380s) stopped
T01 >> 1462332616.40142298 Density (34.96858s) started
T01 >> 1462332616.40143609 Pseudo density (28.87892s) started
T01 >> 1462332616.40181088 Calculate density matrix (25.97696s) started
T01 << 1462332617.91963005 Calculate density matrix (27.49478s) stopped
T01 >> 1462332617.91968012 Construct density (2.85441s) started
T01 << 1462332618.08756399 Construct density (3.02229s) stopped
T01 >> 1462332618.08949494 Symmetrize density (0.00071s) started
T01 << 1462332618.08952308 Symmetrize density (0.00074s) stopped
T01 << 1462332618.08990693 Pseudo density (30.56739s) stopped
T01 >> 1462332618.08992600 Atomic density matrices (4.03553s) started
T01 << 1462332618.32835507 Atomic density matrices (4.27396s) stopped
T01 >> 1462332618.32838511 Multipole moments (0.05211s) started
T01 << 1462332618.33145690 Multipole moments (0.05518s) stopped
T01 >> 1462332618.33147907 Normalize (0.01728s) started
T01 << 1462332618.33245492 Normalize (0.01825s) stopped
T01 >> 1462332618.33248997 Mix (1.98379s) started
T01 << 1462332618.45152903 Mix (2.10283s) stopped
T01 << 1462332618.45160699 Density (37.01876s) stopped
T01 >> 1462332618.45164990 Hamiltonian (363.21553s) started
T01 >> 1462332618.45166612 vbar (0.18471s) started
T01 << 1462332618.46237707 vbar (0.19542s) stopped
T01 >> 1462332618.46243501 XC 3D grid (171.41487s) started
T01 >> 1462332618.64029598 van der Waals (165.31134s) started
T01 >> 1462332618.68199611 semilocal (37.89688s) started
T01 << 1462332620.90828490 semilocal (40.12317s) stopped
T01 >> 1462332620.94109893 redistribute (19.15628s) started
T01 << 1462332621.32532811 redistribute (19.54051s) stopped
T01 >> 1462332621.32539296 libvdwxc nonlocal (106.99578s) started
T01 << 1462332627.59926796 libvdwxc nonlocal (113.26965s) stopped
T01 >> 1462332627.59931111 redistribute (19.54056s) started
T01 << 1462332628.34768391 redistribute (20.28894s) stopped
T01 << 1462332628.34919596 van der Waals (175.02024s) stopped
T01 << 1462332628.53116107 XC 3D grid (181.48360s) stopped
T01 >> 1462332628.53119898 Poisson (50.31940s) started
T01 << 1462332630.82777405 Poisson (52.61597s) stopped
T01 >> 1462332630.82782292 Hartree integrate/restrict (1.39552s) started
T01 << 1462332630.84334612 Hartree integrate/restrict (1.41105s) stopped
T01 >> 1462332630.84341598 Hartree integrate/restrict (1.41110s) started
T01 << 1462332630.90840912 Hartree integrate/restrict (1.47609s) stopped
T01 >> 1462332630.92910099 Atomic (96.80135s) started
T01 >> 1462332630.93765998 XC Correction (96.60997s) started
T01 << 1462332636.62238002 XC Correction (102.29469s) stopped
T01 << 1462332636.62522292 Atomic (102.49747s) stopped
T01 >> 1462332636.62529206 Communicate (42.75679s) started
T01 << 1462332639.14275408 Communicate (45.27425s) stopped
T01 << 1462332639.14277792 Hamiltonian (383.90665s) stopped
T01 >> 1462332639.14281511 LCAO eigensolver (148.47381s) started
T01 >> 1462332639.14282799 Potential matrix (4.59754s) started
T01 << 1462332639.39547205 Potential matrix (4.85019s) stopped
T01 >> 1462332639.39552808 DistributedAtomicCorrection (24.44178s) started
T01 << 1462332640.75621200 DistributedAtomicCorrection (25.80247s) stopped
T01 >> 1462332640.75624895 Distribute overlap matrix (19.79528s) started
T01 >> 1462332640.75626802 blocked summation (18.70420s) started
T01 << 1462332641.81796098 blocked summation (19.76589s) stopped
T01 >> 1462332641.81959105 Scalapack redistribute (1.05956s) started
T01 << 1462332641.87852693 Scalapack redistribute (1.11850s) stopped
T01 << 1462332641.87856793 Distribute overlap matrix (20.91760s) stopped
T01 >> 1462332641.87914705 Blacs Orbital Layouts (52.84305s) started
T01 >> 1462332641.88065600 General diagonalize (51.82193s) started
T01 << 1462332644.74837208 General diagonalize (54.68965s) stopped
T01 >> 1462332644.74841189 Redistribute coefs (0.04780s) started
T01 << 1462332644.75117493 Redistribute coefs (0.05056s) stopped
T01 >> 1462332644.75121188 Send coefs to domains (0.93983s) started
T01 << 1462332644.80045509 Send coefs to domains (0.98907s) stopped
T01 << 1462332644.80064607 Blacs Orbital Layouts (55.76455s) stopped
T01 >> 1462332644.80067205 Calculate projections (46.78129s) started
T01 << 1462332647.39955592 Calculate projections (49.38017s) stopped
T01 << 1462332647.39978194 LCAO eigensolver (156.73078s) stopped
T01 >> 1462332647.40038109 Density (37.01878s) started
T01 >> 1462332647.40039301 Pseudo density (30.56740s) started
T01 >> 1462332647.40076303 Calculate density matrix (27.49481s) started
T01 << 1462332648.92828608 Calculate density matrix (29.02233s) stopped
T01 >> 1462332648.92833900 Construct density (3.02232s) started
T01 << 1462332649.09631300 Construct density (3.19030s) stopped
T01 >> 1462332649.09825611 Symmetrize density (0.00075s) started
T01 << 1462332649.09828496 Symmetrize density (0.00078s) stopped
T01 << 1462332649.09866691 Pseudo density (32.26568s) stopped
T01 >> 1462332649.09868693 Atomic density matrices (4.27399s) started
T01 << 1462332649.34336209 Atomic density matrices (4.51866s) stopped
T01 >> 1462332649.34339190 Multipole moments (0.05520s) started
T01 << 1462332649.34645009 Multipole moments (0.05825s) stopped
T01 >> 1462332649.34647202 Normalize (0.01828s) started
T01 << 1462332649.34745693 Normalize (0.01926s) stopped
T01 >> 1462332649.34749198 Mix (2.10290s) started
T01 << 1462332649.46654510 Mix (2.22196s) stopped
T01 << 1462332649.46661496 Density (39.08502s) stopped
T01 >> 1462332649.46665812 Hamiltonian (383.90667s) started
T01 >> 1462332649.46667409 vbar (0.19545s) started
T01 << 1462332649.47739911 vbar (0.20618s) stopped
T01 >> 1462332649.47746611 XC 3D grid (181.48363s) started
T01 >> 1462332649.65503097 van der Waals (175.02026s) started
T01 >> 1462332649.69710898 semilocal (40.12329s) started
T01 << 1462332651.91940904 semilocal (42.34559s) stopped
T01 >> 1462332651.95230699 redistribute (20.28899s) started
T01 << 1462332652.33885908 redistribute (20.67554s) stopped
T01 >> 1462332652.33892202 libvdwxc nonlocal (113.26969s) started
T01 << 1462332658.62857294 libvdwxc nonlocal (119.55934s) stopped
T01 >> 1462332658.62861609 redistribute (20.67559s) started
T01 << 1462332659.37257099 redistribute (21.41954s) stopped
T01 << 1462332659.37447810 van der Waals (184.73971s) stopped
T01 << 1462332659.55626893 XC 3D grid (191.56243s) stopped
T01 >> 1462332659.55630589 Poisson (52.61601s) started
T01 << 1462332661.85519910 Poisson (54.91490s) stopped
T01 >> 1462332661.85526299 Hartree integrate/restrict (1.47613s) started
T01 << 1462332661.87050295 Hartree integrate/restrict (1.49137s) stopped
T01 >> 1462332661.87060499 Hartree integrate/restrict (1.49145s) started
T01 << 1462332661.93991399 Hartree integrate/restrict (1.56076s) stopped
T01 >> 1462332661.95583296 Atomic (102.49749s) started
T01 >> 1462332661.96432304 XC Correction (102.29471s) started
T01 << 1462332667.64145303 XC Correction (107.97184s) stopped
T01 << 1462332667.64429903 Atomic (108.18595s) stopped
T01 >> 1462332667.64436603 Communicate (45.27427s) started
T01 << 1462332670.31404591 Communicate (47.94395s) stopped
T01 << 1462332670.31406903 Hamiltonian (404.75408s) stopped
T01 >> 1462332670.31410599 LCAO eigensolver (156.73080s) started
T01 >> 1462332670.31411910 Potential matrix (4.85022s) started
T01 << 1462332670.56970096 Potential matrix (5.10580s) stopped
T01 >> 1462332670.56975603 DistributedAtomicCorrection (25.80249s) started
T01 << 1462332671.93276596 DistributedAtomicCorrection (27.16550s) stopped
T01 >> 1462332671.93280292 Distribute overlap matrix (20.91761s) started
T01 >> 1462332671.93282104 blocked summation (19.76592s) started
T01 << 1462332672.95759010 blocked summation (20.79069s) stopped
T01 >> 1462332672.95944309 Scalapack redistribute (1.11853s) started
T01 << 1462332673.01789999 Scalapack redistribute (1.17698s) stopped
T01 << 1462332673.01794100 Distribute overlap matrix (22.00275s) stopped
T01 >> 1462332673.01849604 Blacs Orbital Layouts (55.76457s) started
T01 >> 1462332673.01982188 General diagonalize (54.68968s) started
T01 << 1462332675.89676595 General diagonalize (57.56662s) stopped
T01 >> 1462332675.89680696 Redistribute coefs (0.05059s) started
T01 << 1462332675.89961100 Redistribute coefs (0.05340s) stopped
T01 >> 1462332675.89965105 Send coefs to domains (0.98911s) started
T01 << 1462332675.94984889 Send coefs to domains (1.03930s) stopped
T01 << 1462332675.95003390 Blacs Orbital Layouts (58.69611s) stopped
T01 >> 1462332675.95006108 Calculate projections (49.38022s) started
T01 << 1462332678.54897404 Calculate projections (51.97913s) stopped
T01 << 1462332678.54918909 LCAO eigensolver (164.96588s) stopped
T01 >> 1462332678.54979396 Density (39.08504s) started
T01 >> 1462332678.54980612 Pseudo density (32.26569s) started
T01 >> 1462332678.55015612 Calculate density matrix (29.02237s) started
T01 << 1462332680.07900810 Calculate density matrix (30.55122s) stopped
T01 >> 1462332680.07905698 Construct density (3.19033s) started
T01 << 1462332680.24708700 Construct density (3.35836s) stopped
T01 >> 1462332680.24899793 Symmetrize density (0.00079s) started
T01 << 1462332680.24902701 Symmetrize density (0.00082s) stopped
T01 << 1462332680.24939990 Pseudo density (33.96528s) stopped
T01 >> 1462332680.24941897 Atomic density matrices (4.51868s) started
T01 << 1462332680.49187589 Atomic density matrices (4.76114s) stopped
T01 >> 1462332680.49190688 Multipole moments (0.05827s) started
T01 << 1462332680.49499702 Multipole moments (0.06136s) stopped
T01 >> 1462332680.49501896 Normalize (0.01929s) started
T01 << 1462332680.49598598 Normalize (0.02026s) stopped
T01 >> 1462332680.49602795 Mix (2.22202s) started
T01 << 1462332680.61516809 Mix (2.34116s) stopped
T01 << 1462332680.61524200 Density (41.15049s) stopped
T01 >> 1462332680.61528397 Hamiltonian (404.75409s) started
T01 >> 1462332680.61530089 vbar (0.20621s) started
T01 << 1462332680.62633991 vbar (0.21725s) stopped
T01 >> 1462332680.62641811 XC 3D grid (191.56246s) started
T01 >> 1462332680.80361295 van der Waals (184.73973s) started
T01 >> 1462332680.84599900 semilocal (42.34569s) started
T01 << 1462332683.06471395 semilocal (44.56440s) stopped
T01 >> 1462332683.09626794 redistribute (21.41960s) started
T01 << 1462332683.48139906 redistribute (21.80473s) stopped
T01 >> 1462332683.48146296 libvdwxc nonlocal (119.55937s) started
T01 << 1462332689.77575707 libvdwxc nonlocal (125.85366s) stopped
T01 >> 1462332689.77580190 redistribute (21.80478s) started
T01 << 1462332690.51883602 redistribute (22.54781s) stopped
T01 << 1462332690.51989102 van der Waals (194.45601s) stopped
T01 << 1462332690.69802403 XC 3D grid (201.63406s) stopped
T01 >> 1462332690.69806290 Poisson (54.91495s) started
T01 << 1462332692.98640490 Poisson (57.20329s) stopped
T01 >> 1462332692.98645091 Hartree integrate/restrict (1.56079s) started
T01 << 1462332693.00206709 Hartree integrate/restrict (1.57641s) stopped
T01 >> 1462332693.00211310 Hartree integrate/restrict (1.57644s) started
T01 << 1462332693.06658292 Hartree integrate/restrict (1.64091s) stopped
T01 >> 1462332693.08974195 Atomic (108.18597s) started
T01 >> 1462332693.09826899 XC Correction (107.97186s) started
T01 << 1462332698.76135492 XC Correction (113.63495s) stopped
T01 << 1462332698.76419497 Atomic (113.86042s) stopped
T01 >> 1462332698.76426697 Communicate (47.94396s) started
T01 << 1462332701.33997107 Communicate (50.51967s) stopped
T01 << 1462332701.33999300 Hamiltonian (425.47880s) stopped
T01 >> 1462332701.34002995 LCAO eigensolver (164.96590s) started
T01 >> 1462332701.34004211 Potential matrix (5.10583s) started
T01 << 1462332701.59369612 Potential matrix (5.35948s) stopped
T01 >> 1462332701.59375191 DistributedAtomicCorrection (27.16553s) started
T01 << 1462332702.94342494 DistributedAtomicCorrection (28.51520s) stopped
T01 >> 1462332702.94346094 Distribute overlap matrix (22.00276s) started
T01 >> 1462332702.94348001 blocked summation (20.79072s) started
T01 << 1462332703.99171901 blocked summation (21.83896s) stopped
T01 >> 1462332703.99362993 Scalapack redistribute (1.17701s) started
T01 << 1462332704.05221105 Scalapack redistribute (1.23559s) stopped
T01 << 1462332704.05225301 Distribute overlap matrix (23.11155s) stopped
T01 >> 1462332704.05284810 Blacs Orbital Layouts (58.69612s) started
T01 >> 1462332704.05430698 General diagonalize (57.56665s) started
T01 << 1462332706.92532706 General diagonalize (60.43767s) stopped
T01 >> 1462332706.92536712 Redistribute coefs (0.05343s) started
T01 << 1462332706.92809296 Redistribute coefs (0.05615s) stopped
T01 >> 1462332706.92813110 Send coefs to domains (1.03934s) started
T01 << 1462332706.97721291 Send coefs to domains (1.08842s) stopped
T01 << 1462332706.97740197 Blacs Orbital Layouts (61.62068s) stopped
T01 >> 1462332706.97742796 Calculate projections (51.97918s) started
T01 << 1462332709.58851004 Calculate projections (54.59026s) stopped
T01 << 1462332709.58873796 LCAO eigensolver (173.21461s) stopped
T01 >> 1462332709.58943605 Density (41.15050s) started
T01 >> 1462332709.58944798 Pseudo density (33.96530s) started
T01 >> 1462332709.58981204 Calculate density matrix (30.55125s) started
T01 << 1462332711.10399795 Calculate density matrix (32.06544s) stopped
T01 >> 1462332711.10404897 Construct density (3.35839s) started
T01 << 1462332711.27208400 Construct density (3.52642s) stopped
T01 >> 1462332711.27400589 Symmetrize density (0.00083s) started
T01 << 1462332711.27403593 Symmetrize density (0.00086s) stopped
T01 << 1462332711.27441096 Pseudo density (35.65026s) stopped
T01 >> 1462332711.27443004 Atomic density matrices (4.76116s) started
T01 << 1462332711.51621294 Atomic density matrices (5.00295s) stopped
T01 >> 1462332711.51624393 Multipole moments (0.06137s) started
T01 << 1462332711.51933408 Multipole moments (0.06447s) stopped
T01 >> 1462332711.51935697 Normalize (0.02029s) started
T01 << 1462332711.52032995 Normalize (0.02126s) stopped
T01 >> 1462332711.52037096 Mix (2.34124s) started
T01 << 1462332711.63987994 Mix (2.46075s) stopped
T01 << 1462332711.63996291 Density (43.20103s) stopped
T01 >> 1462332711.64000201 Hamiltonian (425.47881s) started
T01 >> 1462332711.64001894 vbar (0.21730s) started
T01 << 1462332711.65083504 vbar (0.22811s) stopped
T01 >> 1462332711.65091395 XC 3D grid (201.63409s) started
T01 >> 1462332711.83079100 van der Waals (194.45603s) started
T01 >> 1462332711.87256598 semilocal (44.56449s) started
T01 << 1462332714.09393597 semilocal (46.78586s) stopped
T01 >> 1462332714.12579489 redistribute (22.54786s) started
T01 << 1462332714.50925994 redistribute (22.93133s) stopped
T01 >> 1462332714.50929999 libvdwxc nonlocal (125.85370s) started
T01 << 1462332720.80036998 libvdwxc nonlocal (132.14477s) stopped
T01 >> 1462332720.80041003 redistribute (22.93136s) started
T01 << 1462332721.53979111 redistribute (23.67074s) stopped
T01 << 1462332721.54074907 van der Waals (204.16599s) stopped
T01 << 1462332721.72358799 XC 3D grid (211.70677s) stopped
T01 >> 1462332721.72363091 Poisson (57.20332s) started
T01 << 1462332724.01837301 Poisson (59.49807s) stopped
T01 >> 1462332724.01841903 Hartree integrate/restrict (1.64094s) started
T01 << 1462332724.03407001 Hartree integrate/restrict (1.65659s) stopped
T01 >> 1462332724.03412509 Hartree integrate/restrict (1.65663s) started
T01 << 1462332724.10364509 Hartree integrate/restrict (1.72615s) stopped
T01 >> 1462332724.12032509 Atomic (113.86044s) started
T01 >> 1462332724.12880898 XC Correction (113.63497s) started
T01 << 1462332729.77604890 XC Correction (119.28221s) stopped
T01 << 1462332729.77888298 Atomic (119.51900s) stopped
T01 >> 1462332729.77895188 Communicate (50.51968s) started
T01 << 1462332732.41787696 Communicate (53.15861s) stopped
T01 << 1462332732.41790199 Hamiltonian (446.25671s) stopped
T01 >> 1462332732.41794109 LCAO eigensolver (173.21462s) started
T01 >> 1462332732.41795301 Potential matrix (5.35951s) started
T01 << 1462332732.67137504 Potential matrix (5.61294s) stopped
T01 >> 1462332732.67143106 DistributedAtomicCorrection (28.51522s) started
T01 << 1462332734.03296995 DistributedAtomicCorrection (29.87676s) stopped
T01 >> 1462332734.03300595 Distribute overlap matrix (23.11157s) started
T01 >> 1462332734.03302503 blocked summation (21.83899s) started
T01 << 1462332735.07679009 blocked summation (22.88276s) stopped
T01 >> 1462332735.07843709 Scalapack redistribute (1.23562s) started
T01 << 1462332735.13689399 Scalapack redistribute (1.29408s) stopped
T01 << 1462332735.13693810 Distribute overlap matrix (24.21551s) stopped
T01 >> 1462332735.13749504 Blacs Orbital Layouts (61.62069s) started
T01 >> 1462332735.13901210 General diagonalize (60.43771s) started
T01 << 1462332738.01974797 General diagonalize (63.31844s) stopped
T01 >> 1462332738.01978803 Redistribute coefs (0.05618s) started
T01 << 1462332738.02251410 Redistribute coefs (0.05891s) stopped
T01 >> 1462332738.02255106 Send coefs to domains (1.08845s) started
T01 << 1462332738.07257199 Send coefs to domains (1.13847s) stopped
T01 << 1462332738.07276201 Blacs Orbital Layouts (64.55596s) stopped
T01 >> 1462332738.07278895 Calculate projections (54.59031s) started
T01 << 1462332740.67042089 Calculate projections (57.18795s) stopped
T01 << 1462332740.67064595 LCAO eigensolver (181.46733s) stopped
T01 >> 1462332740.67124391 Density (43.20104s) started
T01 >> 1462332740.67125607 Pseudo density (35.65028s) started
T01 >> 1462332740.67162395 Calculate density matrix (32.06547s) started
T01 << 1462332742.20044208 Calculate density matrix (33.59429s) stopped
T01 >> 1462332742.20049500 Construct density (3.52645s) started
T01 << 1462332742.36843395 Construct density (3.69439s) stopped
T01 >> 1462332742.37038708 Symmetrize density (0.00087s) started
T01 << 1462332742.37041593 Symmetrize density (0.00090s) stopped
T01 << 1462332742.37079692 Pseudo density (37.34982s) stopped
T01 >> 1462332742.37081599 Atomic density matrices (5.00297s) started
T01 << 1462332742.60731912 Atomic density matrices (5.23947s) stopped
T01 >> 1462332742.60734892 Multipole moments (0.06448s) started
T01 << 1462332742.61038709 Multipole moments (0.06752s) stopped
T01 >> 1462332742.61040902 Normalize (0.02129s) started
T01 << 1462332742.61139202 Normalize (0.02227s) stopped
T01 >> 1462332742.61142802 Mix (2.46082s) started
T01 << 1462332742.73028708 Mix (2.57968s) stopped
T01 << 1462332742.73032689 Density (45.26013s) stopped
T01 >> 1462332742.73035908 Hamiltonian (446.25672s) started
T01 >> 1462332742.73037601 vbar (0.22816s) started
T01 << 1462332742.74122500 vbar (0.23901s) stopped
T01 >> 1462332742.74127698 XC 3D grid (211.70680s) started
T01 >> 1462332742.92012095 van der Waals (204.16601s) started
T01 >> 1462332742.96234202 semilocal (46.78594s) started
T01 << 1462332745.18473601 semilocal (49.00833s) stopped
T01 >> 1462332745.21548009 redistribute (23.67079s) started
T01 << 1462332745.61092901 redistribute (24.06624s) stopped
T01 >> 1462332745.61096907 libvdwxc nonlocal (132.14480s) started
T01 << 1462332751.88504910 libvdwxc nonlocal (138.41888s) stopped
T01 >> 1462332751.88510108 redistribute (24.06627s) started
T01 << 1462332752.62815690 redistribute (24.80933s) stopped
T01 << 1462332752.62900305 van der Waals (213.87489s) stopped
T01 << 1462332752.81039691 XC 3D grid (221.77592s) stopped
T01 >> 1462332752.81043911 Poisson (59.49810s) started
T01 << 1462332755.10837412 Poisson (61.79603s) stopped
T01 >> 1462332755.10843492 Hartree integrate/restrict (1.72618s) started
T01 << 1462332755.12410688 Hartree integrate/restrict (1.74185s) stopped
T01 >> 1462332755.12414908 Hartree integrate/restrict (1.74188s) started
T01 << 1462332755.18687892 Hartree integrate/restrict (1.80461s) stopped
T01 >> 1462332755.21132803 Atomic (119.51901s) started
T01 >> 1462332755.21976995 XC Correction (119.28223s) started
T01 << 1462332760.88981605 XC Correction (124.95227s) stopped
T01 << 1462332760.89264798 Atomic (125.20033s) stopped
T01 >> 1462332760.89271998 Communicate (53.15862s) started
T01 << 1462332763.45666909 Communicate (55.72257s) stopped
T01 << 1462332763.45669293 Hamiltonian (466.98306s) stopped
T01 >> 1462332763.45673108 LCAO eigensolver (181.46735s) started
T01 >> 1462332763.45674300 Potential matrix (5.61296s) started
T01 << 1462332763.71180606 Potential matrix (5.86803s) stopped
T01 >> 1462332763.71186209 DistributedAtomicCorrection (29.87679s) started
T01 << 1462332765.06754899 DistributedAtomicCorrection (31.23247s) stopped
T01 >> 1462332765.06758404 Distribute overlap matrix (24.21552s) started
T01 >> 1462332765.06760311 blocked summation (22.88279s) started
T01 << 1462332766.09688592 blocked summation (23.91207s) stopped
T01 >> 1462332766.09860897 Scalapack redistribute (1.29411s) started
T01 << 1462332766.15692806 Scalapack redistribute (1.35243s) stopped
T01 << 1462332766.15697193 Distribute overlap matrix (25.30491s) stopped
T01 >> 1462332766.15753198 Blacs Orbital Layouts (64.55598s) started
T01 >> 1462332766.15962100 General diagonalize (63.31848s) started
T01 << 1462332769.05703211 General diagonalize (66.21589s) stopped
T01 >> 1462332769.05707407 Redistribute coefs (0.05894s) started
T01 << 1462332769.05923390 Redistribute coefs (0.06110s) stopped
T01 >> 1462332769.05929708 Send coefs to domains (1.13851s) started
T01 << 1462332769.10857105 Send coefs to domains (1.18778s) stopped
T01 << 1462332769.10890293 Blacs Orbital Layouts (67.50735s) stopped
T01 >> 1462332769.10893011 Calculate projections (57.18799s) started
T01 << 1462332771.70636892 Calculate projections (59.78543s) stopped
T01 << 1462332771.70658588 LCAO eigensolver (189.71720s) stopped
T01 >> 1462332771.70722103 Density (45.26014s) started
T01 >> 1462332771.70723391 Pseudo density (37.34983s) started
T01 >> 1462332771.70762110 Calculate density matrix (33.59433s) started
T01 << 1462332773.23389101 Calculate density matrix (35.12060s) stopped
T01 >> 1462332773.23394299 Construct density (3.69442s) started
T01 << 1462332773.40172291 Construct density (3.86220s) stopped
T01 >> 1462332773.40363789 Symmetrize density (0.00091s) started
T01 << 1462332773.40366697 Symmetrize density (0.00094s) stopped
T01 << 1462332773.40404797 Pseudo density (39.04664s) stopped
T01 >> 1462332773.40406704 Atomic density matrices (5.23949s) started
T01 << 1462332773.63929391 Atomic density matrices (5.47472s) stopped
T01 >> 1462332773.63932490 Multipole moments (0.06753s) started
T01 << 1462332773.64240694 Multipole moments (0.07061s) stopped
T01 >> 1462332773.64242911 Normalize (0.02230s) started
T01 << 1462332773.64340496 Normalize (0.02328s) stopped
T01 >> 1462332773.64344597 Mix (2.57972s) started
T01 << 1462332773.76148009 Mix (2.69776s) stopped
T01 << 1462332773.76152706 Density (47.31445s) stopped
T01 >> 1462332773.76155996 Hamiltonian (466.98307s) started
T01 >> 1462332773.76157689 vbar (0.23904s) started
T01 << 1462332773.77227402 vbar (0.24973s) stopped
T01 >> 1462332773.77233195 XC 3D grid (221.77595s) started
T01 >> 1462332773.95067692 van der Waals (213.87491s) started
T01 >> 1462332773.99257803 semilocal (49.00840s) started
T01 << 1462332776.22167897 semilocal (51.23750s) stopped
T01 >> 1462332776.25244403 redistribute (24.80936s) started
T01 << 1462332776.63659811 redistribute (25.19351s) stopped
T01 >> 1462332776.63664389 libvdwxc nonlocal (138.41892s) started
T01 << 1462332782.93492794 libvdwxc nonlocal (144.71720s) stopped
T01 >> 1462332782.93497300 redistribute (25.19355s) started
T01 << 1462332783.67470002 redistribute (25.93327s) stopped
T01 << 1462332783.67559004 van der Waals (223.59982s) stopped
T01 << 1462332783.85835505 XC 3D grid (231.86197s) stopped
T01 >> 1462332783.85839200 Poisson (61.79608s) started
T01 << 1462332785.58939099 Poisson (63.52708s) stopped
T01 >> 1462332785.58944798 Hartree integrate/restrict (1.80465s) started
T01 << 1462332785.60488200 Hartree integrate/restrict (1.82008s) stopped
T01 >> 1462332785.60495305 Hartree integrate/restrict (1.82013s) started
T01 << 1462332785.67020607 Hartree integrate/restrict (1.88538s) stopped
T01 >> 1462332785.69265294 Atomic (125.20035s) started
T01 >> 1462332785.70114994 XC Correction (124.95229s) started
T01 << 1462332791.38728499 XC Correction (130.63843s) stopped
T01 << 1462332791.39012790 Atomic (130.89782s) stopped
T01 >> 1462332791.39019704 Communicate (55.72259s) started
T01 << 1462332793.97901011 Communicate (58.31140s) stopped
T01 << 1462332793.97903490 Hamiltonian (487.20054s) stopped
T01 >> 1462332793.97907305 LCAO eigensolver (189.71722s) started
T01 >> 1462332793.97908497 Potential matrix (5.86806s) started
T01 << 1462332794.23551607 Potential matrix (6.12449s) stopped
T01 >> 1462332794.23557591 DistributedAtomicCorrection (31.23250s) started
T01 << 1462332795.59145689 DistributedAtomicCorrection (32.58838s) stopped
T01 >> 1462332795.59149289 Distribute overlap matrix (25.30492s) started
T01 >> 1462332795.59151196 blocked summation (23.91210s) started
T01 << 1462332796.63921404 blocked summation (24.95981s) stopped
T01 >> 1462332796.64110088 Scalapack redistribute (1.35246s) started
T01 << 1462332796.70022511 Scalapack redistribute (1.41159s) stopped
T01 << 1462332796.70026588 Distribute overlap matrix (26.41369s) stopped
T01 >> 1462332796.70083404 Blacs Orbital Layouts (67.50736s) started
T01 >> 1462332796.70231295 General diagonalize (66.21592s) started
T01 << 1462332799.57134604 General diagonalize (69.08495s) stopped
T01 >> 1462332799.57138610 Redistribute coefs (0.06115s) started
T01 << 1462332799.57420111 Redistribute coefs (0.06396s) stopped
T01 >> 1462332799.57423997 Send coefs to domains (1.18782s) started
T01 << 1462332799.62354803 Send coefs to domains (1.23712s) stopped
T01 << 1462332799.62373805 Blacs Orbital Layouts (70.43027s) stopped
T01 >> 1462332799.62376404 Calculate projections (59.78548s) started
T01 << 1462332802.22120810 Calculate projections (62.38292s) stopped
T01 << 1462332802.22142005 LCAO eigensolver (197.95957s) stopped
T01 >> 1462332802.22203803 Density (47.31446s) started
T01 >> 1462332802.22204995 Pseudo density (39.04666s) started
T01 >> 1462332802.22241902 Calculate density matrix (35.12063s) started
T01 << 1462332803.74805808 Calculate density matrix (36.64627s) stopped
T01 >> 1462332803.74810910 Construct density (3.86223s) started
T01 << 1462332803.91603708 Construct density (4.03015s) stopped
T01 >> 1462332803.91796994 Symmetrize density (0.00095s) started
T01 << 1462332803.91799903 Symmetrize density (0.00098s) stopped
T01 << 1462332803.91837692 Pseudo density (40.74299s) stopped
T01 >> 1462332803.91839504 Atomic density matrices (5.47474s) started
T01 << 1462332804.16481805 Atomic density matrices (5.72117s) stopped
T01 >> 1462332804.16484809 Multipole moments (0.07063s) started
T01 << 1462332804.16794395 Multipole moments (0.07373s) stopped
T01 >> 1462332804.16796589 Normalize (0.02331s) started
T01 << 1462332804.16894102 Normalize (0.02428s) stopped
T01 >> 1462332804.16897798 Mix (2.69780s) started
T01 << 1462332804.28796506 Mix (2.81679s) stopped
T01 << 1462332804.28804803 Density (49.38047s) stopped
T01 >> 1462332804.28809094 Hamiltonian (487.20055s) started
T01 >> 1462332804.28811002 vbar (0.24977s) started
T01 << 1462332804.29872704 vbar (0.26038s) stopped
T01 >> 1462332804.29881001 XC 3D grid (231.86200s) started
T01 >> 1462332804.48191690 van der Waals (223.59984s) started
T01 >> 1462332804.52255106 semilocal (51.23760s) started
T01 << 1462332806.74992895 semilocal (53.46497s) stopped
T01 >> 1462332806.78032494 redistribute (25.93333s) started
T01 << 1462332807.15754104 redistribute (26.31054s) stopped
T01 >> 1462332807.15758204 libvdwxc nonlocal (144.71724s) started
T01 << 1462332813.44011807 libvdwxc nonlocal (150.99977s) stopped
T01 >> 1462332813.44016004 redistribute (26.31058s) started
T01 << 1462332814.18585205 redistribute (27.05627s) stopped
T01 << 1462332814.18708491 van der Waals (233.30501s) stopped
T01 << 1462332814.36736012 XC 3D grid (241.93055s) stopped
T01 >> 1462332814.36740994 Poisson (63.52712s) started
T01 << 1462332816.09352708 Poisson (65.25324s) stopped
T01 >> 1462332816.09358406 Hartree integrate/restrict (1.88541s) started
T01 << 1462332816.10915303 Hartree integrate/restrict (1.90098s) stopped
T01 >> 1462332816.10926294 Hartree integrate/restrict (1.90105s) started
T01 << 1462332816.17423797 Hartree integrate/restrict (1.96603s) stopped
T01 >> 1462332816.19559193 Atomic (130.89784s) started
T01 >> 1462332816.20410800 XC Correction (130.63845s) started
T01 << 1462332821.89813089 XC Correction (136.33247s) stopped
T01 << 1462332821.90096688 Atomic (136.60322s) stopped
T01 >> 1462332821.90104890 Communicate (58.31142s) started
T01 << 1462332824.44218707 Communicate (60.85256s) stopped
T01 << 1462332824.44220901 Hamiltonian (507.35467s) stopped
T01 >> 1462332824.44224501 LCAO eigensolver (197.95958s) started
T01 >> 1462332824.44225693 Potential matrix (6.12452s) started
T01 << 1462332824.69584203 Potential matrix (6.37811s) stopped
T01 >> 1462332824.69589901 DistributedAtomicCorrection (32.58840s) started
T01 << 1462332826.06119299 DistributedAtomicCorrection (33.95370s) stopped
T01 >> 1462332826.06123209 Distribute overlap matrix (26.41370s) started
T01 >> 1462332826.06125093 blocked summation (24.95984s) started
T01 << 1462332827.11114407 blocked summation (26.00973s) stopped
T01 >> 1462332827.11298299 Scalapack redistribute (1.41161s) started
T01 << 1462332827.17186999 Scalapack redistribute (1.47050s) stopped
T01 << 1462332827.17191100 Distribute overlap matrix (27.52438s) stopped
T01 >> 1462332827.17245293 Blacs Orbital Layouts (70.43028s) started
T01 >> 1462332827.17374802 General diagonalize (69.08498s) started
T01 << 1462332830.03286004 General diagonalize (71.94410s) stopped
T01 >> 1462332830.03290200 Redistribute coefs (0.06399s) started
T01 << 1462332830.03562498 Redistribute coefs (0.06672s) stopped
T01 >> 1462332830.03566408 Send coefs to domains (1.23716s) started
T01 << 1462332830.08636403 Send coefs to domains (1.28786s) stopped
T01 << 1462332830.08654499 Blacs Orbital Layouts (73.34437s) stopped
T01 >> 1462332830.08657002 Calculate projections (62.38296s) started
T01 << 1462332832.68352199 Calculate projections (64.97991s) stopped
T01 << 1462332832.68373990 LCAO eigensolver (206.20108s) stopped
T01 >> 1462332832.68434906 Density (49.38048s) started
T01 >> 1462332832.68436098 Pseudo density (40.74300s) started
T01 >> 1462332832.68473601 Calculate density matrix (36.64630s) started
T01 << 1462332834.21411490 Calculate density matrix (38.17568s) stopped
T01 >> 1462332834.21416211 Construct density (4.03018s) started
T01 << 1462332834.38200498 Construct density (4.19802s) stopped
T01 >> 1462332834.38392997 Symmetrize density (0.00099s) started
T01 << 1462332834.38395691 Symmetrize density (0.00102s) stopped
T01 << 1462332834.38433194 Pseudo density (42.44297s) stopped
T01 >> 1462332834.38435102 Atomic density matrices (5.72119s) started
T01 << 1462332834.63151312 Atomic density matrices (5.96835s) stopped
T01 >> 1462332834.63154411 Multipole moments (0.07374s) started
T01 << 1462332834.63464403 Multipole moments (0.07684s) stopped
T01 >> 1462332834.63466597 Normalize (0.02431s) started
T01 << 1462332834.63564610 Normalize (0.02529s) stopped
T01 >> 1462332834.63567996 Mix (2.81687s) started
T01 << 1462332834.75453997 Mix (2.93573s) stopped
T01 << 1462332834.75461197 Density (51.45075s) stopped
T01 >> 1462332834.75465393 Hamiltonian (507.35468s) started
T01 >> 1462332834.75467110 vbar (0.26043s) started
T01 << 1462332834.76535797 vbar (0.27112s) stopped
T01 >> 1462332834.76543403 XC 3D grid (241.93059s) started
T01 >> 1462332834.94368505 van der Waals (233.30506s) started
T01 >> 1462332834.98624396 semilocal (53.46505s) started
T01 << 1462332837.20713902 semilocal (55.68594s) stopped
T01 >> 1462332837.23815989 redistribute (27.05630s) started
T01 << 1462332837.62003803 redistribute (27.43818s) stopped
T01 >> 1462332837.62007689 libvdwxc nonlocal (150.99980s) started
T01 << 1462332843.91913700 libvdwxc nonlocal (157.29887s) stopped
T01 >> 1462332843.91917801 redistribute (27.43821s) started
T01 << 1462332844.66905093 redistribute (28.18808s) stopped
T01 << 1462332844.67050600 van der Waals (243.03188s) stopped
T01 << 1462332844.85043406 XC 3D grid (252.01559s) stopped
T01 >> 1462332844.85047197 Poisson (65.25328s) started
T01 << 1462332847.14468789 Poisson (67.54750s) stopped
T01 >> 1462332847.14474607 Hartree integrate/restrict (1.96606s) started
T01 << 1462332847.16024399 Hartree integrate/restrict (1.98155s) stopped
T01 >> 1462332847.16033506 Hartree integrate/restrict (1.98162s) started
T01 << 1462332847.22633696 Hartree integrate/restrict (2.04762s) stopped
T01 >> 1462332847.24742389 Atomic (136.60324s) started
T01 >> 1462332847.25597191 XC Correction (136.33249s) started
T01 << 1462332852.91282511 XC Correction (141.98935s) stopped
T01 << 1462332852.91566992 Atomic (142.27149s) stopped
T01 >> 1462332852.91574097 Communicate (60.85257s) started
T01 << 1462332855.51552010 Communicate (63.45235s) stopped
T01 << 1462332855.51554298 Hamiltonian (528.11557s) stopped
T01 >> 1462332855.51557899 LCAO eigensolver (206.20110s) started
T01 >> 1462332855.51559210 Potential matrix (6.37814s) started
T01 << 1462332855.77071810 Potential matrix (6.63326s) stopped
T01 >> 1462332855.77077293 DistributedAtomicCorrection (33.95372s) started
T01 << 1462332857.13788795 DistributedAtomicCorrection (35.32084s) stopped
T01 >> 1462332857.13792300 Distribute overlap matrix (27.52439s) started
T01 >> 1462332857.13794208 blocked summation (26.00976s) started
T01 << 1462332858.17444801 blocked summation (27.04627s) stopped
T01 >> 1462332858.17628503 Scalapack redistribute (1.47053s) started
T01 << 1462332858.23517990 Scalapack redistribute (1.52942s) stopped
T01 << 1462332858.23522210 Distribute overlap matrix (28.62169s) stopped
T01 >> 1462332858.23578000 Blacs Orbital Layouts (73.34439s) started
T01 >> 1462332858.23728395 General diagonalize (71.94413s) started
T01 << 1462332861.11308408 General diagonalize (74.81993s) stopped
T01 >> 1462332861.11312604 Redistribute coefs (0.06675s) started
T01 << 1462332861.11585498 Redistribute coefs (0.06948s) stopped
T01 >> 1462332861.11589193 Send coefs to domains (1.28789s) started
T01 << 1462332861.16582608 Send coefs to domains (1.33782s) stopped
T01 << 1462332861.16601110 Blacs Orbital Layouts (76.27462s) stopped
T01 >> 1462332861.16603708 Calculate projections (64.97996s) started
T01 << 1462332863.76302791 Calculate projections (67.57695s) stopped
T01 << 1462332863.76324797 LCAO eigensolver (214.44876s) stopped
T01 >> 1462332863.76384401 Density (51.45077s) started
T01 >> 1462332863.76385498 Pseudo density (42.44298s) started
T01 >> 1462332863.76420498 Calculate density matrix (38.17572s) started
T01 << 1462332865.29304194 Calculate density matrix (39.70455s) stopped
T01 >> 1462332865.29309201 Construct density (4.19806s) started
T01 << 1462332865.46085191 Construct density (4.36582s) stopped
T01 >> 1462332865.46280503 Symmetrize density (0.00103s) started
T01 << 1462332865.46283388 Symmetrize density (0.00106s) stopped
T01 << 1462332865.46321297 Pseudo density (44.14234s) stopped
T01 >> 1462332865.46323204 Atomic density matrices (5.96837s) started
T01 << 1462332865.70311403 Atomic density matrices (6.20826s) stopped
T01 >> 1462332865.70314407 Multipole moments (0.07686s) started
T01 << 1462332865.70623589 Multipole moments (0.07995s) stopped
T01 >> 1462332865.70625806 Normalize (0.02532s) started
T01 << 1462332865.70722890 Normalize (0.02629s) stopped
T01 >> 1462332865.70727205 Mix (2.93580s) started
T01 << 1462332865.82624292 Mix (3.05477s) stopped
T01 << 1462332865.82630396 Density (53.51323s) stopped
T01 >> 1462332865.82633805 Hamiltonian (528.11558s) started
T01 >> 1462332865.82635403 vbar (0.27116s) started
T01 << 1462332865.83693790 vbar (0.28174s) stopped
T01 >> 1462332865.83706498 XC 3D grid (252.01562s) started
T01 >> 1462332866.01721597 van der Waals (243.03192s) started
T01 >> 1462332866.05905008 semilocal (55.68603s) started
T01 << 1462332868.29180908 semilocal (57.91878s) stopped
T01 >> 1462332868.32231402 redistribute (28.18812s) started
T01 << 1462332868.70009995 redistribute (28.56591s) stopped
T01 >> 1462332868.70014000 libvdwxc nonlocal (157.29890s) started
T01 << 1462332874.98250389 libvdwxc nonlocal (163.58126s) stopped
T01 >> 1462332874.98254704 redistribute (28.56594s) started
T01 << 1462332875.72680092 redistribute (29.31019s) stopped
T01 << 1462332875.72820711 van der Waals (252.74291s) stopped
T01 << 1462332875.90747404 XC 3D grid (262.08603s) stopped
T01 >> 1462332875.90751195 Poisson (67.54754s) started
T01 << 1462332877.63818312 Poisson (69.27821s) stopped
T01 >> 1462332877.63823390 Hartree integrate/restrict (2.04765s) started
T01 << 1462332877.65365195 Hartree integrate/restrict (2.06307s) stopped
T01 >> 1462332877.65374494 Hartree integrate/restrict (2.06313s) started
T01 << 1462332877.71764803 Hartree integrate/restrict (2.12704s) stopped
T01 >> 1462332877.74157691 Atomic (142.27151s) started
T01 >> 1462332877.75016308 XC Correction (141.98937s) started
T01 << 1462332883.45498610 XC Correction (147.69419s) stopped
T01 << 1462332883.45784307 Atomic (147.98777s) stopped
T01 >> 1462332883.45791292 Communicate (63.45237s) started
T01 << 1462332886.00827694 Communicate (66.00273s) stopped
T01 << 1462332886.00830102 Hamiltonian (548.29755s) stopped
T01 >> 1462332886.00833511 LCAO eigensolver (214.44878s) started
T01 >> 1462332886.00834799 Potential matrix (6.63329s) started
T01 << 1462332886.26195312 Potential matrix (6.88690s) stopped
T01 >> 1462332886.26200891 DistributedAtomicCorrection (35.32086s) started
T01 << 1462332887.63201094 DistributedAtomicCorrection (36.69086s) stopped
T01 >> 1462332887.63204598 Distribute overlap matrix (28.62170s) started
T01 >> 1462332887.63206601 blocked summation (27.04630s) started
T01 << 1462332888.67833304 blocked summation (28.09256s) stopped
T01 >> 1462332888.68048191 Scalapack redistribute (1.52945s) started
T01 << 1462332888.73811603 Scalapack redistribute (1.58709s) stopped
T01 << 1462332888.73815703 Distribute overlap matrix (29.72781s) stopped
T01 >> 1462332888.73873305 Blacs Orbital Layouts (76.27464s) started
T01 >> 1462332888.74019194 General diagonalize (74.81996s) started
T01 << 1462332891.63174605 General diagonalize (77.71152s) stopped
T01 >> 1462332891.63178611 Redistribute coefs (0.06950s) started
T01 << 1462332891.63385701 Redistribute coefs (0.07158s) stopped
T01 >> 1462332891.63393092 Send coefs to domains (1.33786s) started
T01 << 1462332891.68313694 Send coefs to domains (1.38706s) stopped
T01 << 1462332891.68333197 Blacs Orbital Layouts (79.21923s) stopped
T01 >> 1462332891.68335795 Calculate projections (67.57699s) started
T01 << 1462332894.28040409 Calculate projections (70.17403s) stopped
T01 << 1462332894.28073692 LCAO eigensolver (222.72118s) stopped
T01 >> 1462332894.28138089 Density (53.51324s) started
T01 >> 1462332894.28139305 Pseudo density (44.14236s) started
T01 >> 1462332894.28178692 Calculate density matrix (39.70459s) started
T01 << 1462332895.80763102 Calculate density matrix (41.23043s) stopped
T01 >> 1462332895.80768108 Construct density (4.36584s) started
T01 << 1462332895.97548795 Construct density (4.53365s) stopped
T01 >> 1462332895.97745895 Symmetrize density (0.00107s) started
T01 << 1462332895.97748804 Symmetrize density (0.00110s) stopped
T01 << 1462332895.97787404 Pseudo density (45.83884s) stopped
T01 >> 1462332895.97789311 Atomic density matrices (6.20828s) started
T01 << 1462332896.22098899 Atomic density matrices (6.45138s) stopped
T01 >> 1462332896.22101998 Multipole moments (0.07996s) started
T01 << 1462332896.22408891 Multipole moments (0.08303s) stopped
T01 >> 1462332896.22411203 Normalize (0.02632s) started
T01 << 1462332896.22509003 Normalize (0.02730s) stopped
T01 >> 1462332896.22512197 Mix (3.05483s) started
T01 << 1462332896.34433508 Mix (3.17404s) stopped
T01 << 1462332896.34437704 Density (55.57624s) stopped
T01 >> 1462332896.34440589 Hamiltonian (548.29756s) started
T01 >> 1462332896.34442210 vbar (0.28182s) started
T01 << 1462332896.35516691 vbar (0.29257s) stopped
T01 >> 1462332896.35522509 XC 3D grid (262.08606s) started
T01 >> 1462332896.53553796 van der Waals (252.74294s) started
T01 >> 1462332896.57764101 semilocal (57.91889s) started
T01 << 1462332898.80630898 semilocal (60.14756s) stopped
T01 >> 1462332898.83713102 redistribute (29.31023s) started
T01 << 1462332899.22827506 redistribute (29.70138s) stopped
T01 >> 1462332899.22831607 libvdwxc nonlocal (163.58129s) started
T01 << 1462332905.49968004 libvdwxc nonlocal (169.85266s) stopped
T01 >> 1462332905.49972105 redistribute (29.70140s) started
T01 << 1462332906.25852895 redistribute (30.46021s) stopped
T01 << 1462332906.25977993 van der Waals (262.46719s) stopped
T01 << 1462332906.44469500 XC 3D grid (272.17553s) stopped
T01 >> 1462332906.44473195 Poisson (69.27825s) started
T01 << 1462332908.17604089 Poisson (71.00956s) stopped
T01 >> 1462332908.17610502 Hartree integrate/restrict (2.12706s) started
T01 << 1462332908.19162989 Hartree integrate/restrict (2.14259s) stopped
T01 >> 1462332908.19173193 Hartree integrate/restrict (2.14266s) started
T01 << 1462332908.25846291 Hartree integrate/restrict (2.20939s) stopped
T01 >> 1462332908.27944493 Atomic (147.98779s) started
T01 >> 1462332908.28804803 XC Correction (147.69421s) started
T01 << 1462332913.95127201 XC Correction (153.35743s) stopped
T01 << 1462332913.95412803 Atomic (153.66247s) stopped
T01 >> 1462332913.95419502 Communicate (66.00275s) started
T01 << 1462332916.53080511 Communicate (68.57936s) stopped
T01 << 1462332916.53082991 Hamiltonian (568.48398s) stopped
T01 >> 1462332916.53086591 LCAO eigensolver (222.72120s) started
T01 >> 1462332916.53087902 Potential matrix (6.88693s) started
T01 << 1462332916.78439498 Potential matrix (7.14044s) stopped
T01 >> 1462332916.78445411 DistributedAtomicCorrection (36.69089s) started
T01 << 1462332918.14464498 DistributedAtomicCorrection (38.05108s) stopped
T01 >> 1462332918.14468193 Distribute overlap matrix (29.72782s) started
T01 >> 1462332918.14470005 blocked summation (28.09259s) started
T01 << 1462332919.18759203 blocked summation (29.13549s) stopped
T01 >> 1462332919.18909788 Scalapack redistribute (1.58712s) started
T01 << 1462332919.24776602 Scalapack redistribute (1.64578s) stopped
T01 << 1462332919.24780893 Distribute overlap matrix (30.83095s) stopped
T01 >> 1462332919.24835110 Blacs Orbital Layouts (79.21925s) started
T01 >> 1462332919.25029898 General diagonalize (77.71155s) started
T01 << 1462332922.11838698 General diagonalize (80.57964s) stopped
T01 >> 1462332922.11842799 Redistribute coefs (0.07163s) started
T01 << 1462332922.12053895 Redistribute coefs (0.07374s) stopped
T01 >> 1462332922.12061095 Send coefs to domains (1.38710s) started
T01 << 1462332922.17067909 Send coefs to domains (1.43717s) stopped
T01 << 1462332922.17098498 Blacs Orbital Layouts (82.14188s) stopped
T01 >> 1462332922.17101192 Calculate projections (70.17408s) started
T01 << 1462332924.76802397 Calculate projections (72.77109s) stopped
T01 << 1462332924.76824093 LCAO eigensolver (230.95857s) stopped
T01 >> 1462332924.76887798 Density (55.57625s) started
T01 >> 1462332924.76888990 Pseudo density (45.83885s) started
T01 >> 1462332924.76926398 Calculate density matrix (41.23046s) started
T01 << 1462332926.29837203 Calculate density matrix (42.75957s) stopped
T01 >> 1462332926.29842305 Construct density (4.53368s) started
T01 << 1462332926.46621895 Construct density (4.70148s) stopped
T01 >> 1462332926.46817493 Symmetrize density (0.00111s) started
T01 << 1462332926.46820498 Symmetrize density (0.00114s) stopped
T01 << 1462332926.46858191 Pseudo density (47.53854s) stopped
T01 >> 1462332926.46860099 Atomic density matrices (6.45140s) started
T01 << 1462332926.71722102 Atomic density matrices (6.70002s) stopped
T01 >> 1462332926.71725106 Multipole moments (0.08305s) started
T01 << 1462332926.72033596 Multipole moments (0.08614s) stopped
T01 >> 1462332926.72035694 Normalize (0.02732s) started
T01 << 1462332926.72133899 Normalize (0.02830s) stopped
T01 >> 1462332926.72137594 Mix (3.17408s) started
T01 << 1462332926.84064388 Mix (3.29335s) stopped
T01 << 1462332926.84069800 Density (57.64807s) stopped
T01 >> 1462332926.84073400 Hamiltonian (568.48399s) started
T01 >> 1462332926.84075308 vbar (0.29260s) started
T01 << 1462332926.85157895 vbar (0.30342s) stopped
T01 >> 1462332926.85165191 XC 3D grid (272.17556s) started
T01 >> 1462332927.03568006 van der Waals (262.46722s) started
T01 >> 1462332927.07596993 semilocal (60.14766s) started
T01 << 1462332929.28903008 semilocal (62.36072s) stopped
T01 >> 1462332929.32036304 redistribute (30.46025s) started
T01 << 1462332929.71318889 redistribute (30.85307s) stopped
T01 >> 1462332929.71323109 libvdwxc nonlocal (169.85269s) started
T01 << 1462332936.00294995 libvdwxc nonlocal (176.14241s) stopped
T01 >> 1462332936.00300407 redistribute (30.85310s) started
T01 << 1462332936.74971199 redistribute (31.59981s) stopped
T01 << 1462332936.75123811 van der Waals (272.18278s) stopped
T01 << 1462332936.92949009 XC 3D grid (282.25340s) stopped
T01 >> 1462332936.92953110 Poisson (71.00961s) started
T01 << 1462332938.65978408 Poisson (72.73986s) stopped
T01 >> 1462332938.65985703 Hartree integrate/restrict (2.20942s) started
T01 << 1462332938.67538500 Hartree integrate/restrict (2.22494s) stopped
T01 >> 1462332938.67543507 Hartree integrate/restrict (2.22498s) started
T01 << 1462332938.74692702 Hartree integrate/restrict (2.29647s) stopped
T01 >> 1462332938.76261592 Atomic (153.66249s) started
T01 >> 1462332938.77121210 XC Correction (153.35746s) started
T01 << 1462332944.47140002 XC Correction (159.05764s) stopped
T01 << 1462332944.47425604 Atomic (159.37413s) stopped
T01 >> 1462332944.47432399 Communicate (68.57937s) started
T01 << 1462332947.03337407 Communicate (71.13842s) stopped
T01 << 1462332947.03339911 Hamiltonian (588.67666s) stopped
T01 >> 1462332947.03343701 LCAO eigensolver (230.95859s) started
T01 >> 1462332947.03344989 Potential matrix (7.14048s) started
T01 << 1462332947.28783393 Potential matrix (7.39486s) stopped
T01 >> 1462332947.28788996 DistributedAtomicCorrection (38.05110s) started
T01 << 1462332948.64036298 DistributedAtomicCorrection (39.40358s) stopped
T01 >> 1462332948.64039898 Distribute overlap matrix (30.83096s) started
T01 >> 1462332948.64041805 blocked summation (29.13552s) started
T01 << 1462332949.68678308 blocked summation (30.18189s) stopped
T01 >> 1462332949.68851495 Scalapack redistribute (1.64581s) started
T01 << 1462332949.74709105 Scalapack redistribute (1.70439s) stopped
T01 << 1462332949.74713111 Distribute overlap matrix (31.93769s) stopped
T01 >> 1462332949.74773788 Blacs Orbital Layouts (82.14190s) started
T01 >> 1462332949.74965000 General diagonalize (80.57967s) started
T01 << 1462332952.61557102 General diagonalize (83.44559s) stopped
T01 >> 1462332952.61561203 Redistribute coefs (0.07380s) started
T01 << 1462332952.61772394 Redistribute coefs (0.07591s) stopped
T01 >> 1462332952.61779904 Send coefs to domains (1.43720s) started
T01 << 1462332952.66729212 Send coefs to domains (1.48670s) stopped
T01 << 1462332952.66760612 Blacs Orbital Layouts (85.06177s) stopped
T01 >> 1462332952.66763592 Calculate projections (72.77113s) started
T01 << 1462332955.26496100 Calculate projections (75.36846s) stopped
T01 << 1462332955.26518393 LCAO eigensolver (239.19034s) stopped
T01 >> 1462332955.26584005 Density (57.64808s) started
T01 >> 1462332955.26585197 Pseudo density (47.53856s) started
T01 >> 1462332955.26624608 Calculate density matrix (42.75961s) started
T01 << 1462332956.79320502 Calculate density matrix (44.28657s) stopped
T01 >> 1462332956.79325509 Construct density (4.70151s) started
T01 << 1462332956.96102810 Construct density (4.86928s) stopped
T01 >> 1462332956.96300793 Symmetrize density (0.00115s) started
T01 << 1462332956.96303606 Symmetrize density (0.00118s) stopped
T01 << 1462332956.96341395 Pseudo density (49.23612s) stopped
T01 >> 1462332956.96343303 Atomic density matrices (6.70004s) started
T01 << 1462332957.20012808 Atomic density matrices (6.93674s) stopped
T01 >> 1462332957.20015907 Multipole moments (0.08615s) started
T01 << 1462332957.20326400 Multipole moments (0.08926s) stopped
T01 >> 1462332957.20328689 Normalize (0.02833s) started
T01 << 1462332957.20426106 Normalize (0.02930s) stopped
T01 >> 1462332957.20430303 Mix (3.29340s) started
T01 << 1462332957.32253504 Mix (3.41164s) stopped
T01 << 1462332957.32257104 Density (59.70482s) stopped
T01 >> 1462332957.32259893 Hamiltonian (588.67667s) started
T01 >> 1462332957.32261491 vbar (0.30346s) started
T01 << 1462332957.33362103 vbar (0.31447s) stopped
T01 >> 1462332957.33367705 XC 3D grid (282.25343s) started
T01 >> 1462332957.51348400 van der Waals (272.18282s) started
T01 >> 1462332957.55449510 semilocal (62.36080s) started
T01 << 1462332959.77091098 semilocal (64.57722s) stopped
T01 >> 1462332959.80320597 redistribute (31.59985s) started
T01 << 1462332960.19437599 redistribute (31.99102s) stopped
T01 >> 1462332960.19441700 libvdwxc nonlocal (176.14245s) started
T01 << 1462332966.49235892 libvdwxc nonlocal (182.44039s) stopped
T01 >> 1462332966.49239993 redistribute (31.99105s) started
T01 << 1462332967.23850393 redistribute (32.73715s) stopped
T01 << 1462332967.23995495 van der Waals (281.90929s) stopped
T01 << 1462332967.41831803 XC 3D grid (292.33807s) stopped
T01 >> 1462332967.41835904 Poisson (72.73991s) started
T01 << 1462332969.14678693 Poisson (74.46834s) stopped
T01 >> 1462332969.14685011 Hartree integrate/restrict (2.29650s) started
T01 << 1462332969.16245890 Hartree integrate/restrict (2.31211s) stopped
T01 >> 1462332969.16255498 Hartree integrate/restrict (2.31219s) started
T01 << 1462332969.23247194 Hartree integrate/restrict (2.38210s) stopped
T01 >> 1462332969.25013399 Atomic (159.37414s) started
T01 >> 1462332969.25863099 XC Correction (159.05766s) started
T01 << 1462332974.91297293 XC Correction (164.71200s) stopped
T01 << 1462332974.91581607 Atomic (165.03983s) stopped
T01 >> 1462332974.91588402 Communicate (71.13844s) started
T01 << 1462332977.53692698 Communicate (73.75948s) stopped
T01 << 1462332977.53695607 Hamiltonian (608.89103s) stopped
T01 >> 1462332977.53700399 LCAO eigensolver (239.19036s) started
T01 >> 1462332977.53701591 Potential matrix (7.39489s) started
T01 << 1462332977.79200411 Potential matrix (7.64988s) stopped
T01 >> 1462332977.79205990 DistributedAtomicCorrection (39.40360s) started
T01 << 1462332979.15598392 DistributedAtomicCorrection (40.76753s) stopped
T01 >> 1462332979.15601993 Distribute overlap matrix (31.93771s) started
T01 >> 1462332979.15603900 blocked summation (30.18192s) started
T01 << 1462332980.19381595 blocked summation (31.21969s) stopped
T01 >> 1462332980.19597793 Scalapack redistribute (1.70442s) started
T01 << 1462332980.25415707 Scalapack redistribute (1.76260s) stopped
T01 << 1462332980.25419807 Distribute overlap matrix (33.03588s) stopped
T01 >> 1462332980.25476098 Blacs Orbital Layouts (85.06179s) started
T01 >> 1462332980.25635004 General diagonalize (83.44562s) started
T01 << 1462332983.13641095 General diagonalize (86.32568s) stopped
T01 >> 1462332983.13645291 Redistribute coefs (0.07597s) started
T01 << 1462332983.13853598 Redistribute coefs (0.07806s) stopped
T01 >> 1462332983.13861203 Send coefs to domains (1.48673s) started
T01 << 1462332983.18847489 Send coefs to domains (1.53659s) stopped
T01 << 1462332983.18867612 Blacs Orbital Layouts (87.99570s) stopped
T01 >> 1462332983.18870306 Calculate projections (75.36850s) started
T01 << 1462332985.78578711 Calculate projections (77.96558s) stopped
T01 << 1462332985.78613710 LCAO eigensolver (247.43949s) stopped
T01 >> 1462332985.78678012 Density (59.70483s) started
T01 >> 1462332985.78679204 Pseudo density (49.23613s) started
T01 >> 1462332985.78716707 Calculate density matrix (44.28660s) started
T01 << 1462332987.31331897 Calculate density matrix (45.81275s) stopped
T01 >> 1462332987.31336904 Construct density (4.86931s) started
T01 << 1462332987.48123503 Construct density (5.03718s) stopped
T01 >> 1462332987.48322392 Symmetrize density (0.00119s) started
T01 << 1462332987.48325205 Symmetrize density (0.00122s) stopped
T01 << 1462332987.48363709 Pseudo density (50.93298s) stopped
T01 >> 1462332987.48365688 Atomic density matrices (6.93676s) started
T01 << 1462332987.72119188 Atomic density matrices (7.17429s) stopped
T01 >> 1462332987.72122312 Multipole moments (0.08927s) started
T01 << 1462332987.72433710 Multipole moments (0.09239s) stopped
T01 >> 1462332987.72435808 Normalize (0.02934s) started
T01 << 1462332987.72533798 Normalize (0.03032s) stopped
T01 >> 1462332987.72536898 Mix (3.41167s) started
T01 << 1462332987.84439993 Mix (3.53070s) stopped
T01 << 1462332987.84446692 Density (61.76251s) stopped
T01 >> 1462332987.84450197 Hamiltonian (608.89104s) started
T01 >> 1462332987.84451890 vbar (0.31450s) started
T01 << 1462332987.85519409 vbar (0.32517s) stopped
T01 >> 1462332987.85524988 XC 3D grid (292.33810s) started
T01 >> 1462332988.03628302 van der Waals (281.90934s) started
T01 >> 1462332988.07754707 semilocal (64.57729s) started
T01 << 1462332990.30235100 semilocal (66.80210s) stopped
T01 >> 1462332990.33397794 redistribute (32.73719s) started
T01 << 1462332990.72283792 redistribute (33.12605s) stopped
T01 >> 1462332990.72287703 libvdwxc nonlocal (182.44042s) started
T01 << 1462332996.99327707 libvdwxc nonlocal (188.71082s) stopped
T01 >> 1462332996.99331594 redistribute (33.12608s) started
T01 << 1462332997.74099588 redistribute (33.87376s) stopped
T01 << 1462332997.74236012 van der Waals (291.61541s) stopped
T01 << 1462332997.92085004 XC 3D grid (302.40370s) stopped
T01 >> 1462332997.92088699 Poisson (74.46839s) started
T01 << 1462332999.65075111 Poisson (76.19826s) stopped
T01 >> 1462332999.65079308 Hartree integrate/restrict (2.38214s) started
T01 << 1462332999.66636109 Hartree integrate/restrict (2.39771s) stopped
T01 >> 1462332999.66647506 Hartree integrate/restrict (2.39779s) started
T01 << 1462332999.73091006 Hartree integrate/restrict (2.46223s) stopped
T01 >> 1462332999.75289893 Atomic (165.03984s) started
T01 >> 1462332999.76136088 XC Correction (164.71203s) started
T01 << 1462333005.43029094 XC Correction (170.38096s) stopped
T01 << 1462333005.43313789 Atomic (170.72008s) stopped
T01 >> 1462333005.43320608 Communicate (73.75950s) started
T01 << 1462333008.03885388 Communicate (76.36515s) stopped
T01 << 1462333008.03888512 Hamiltonian (629.08542s) stopped
T01 >> 1462333008.03893590 LCAO eigensolver (247.43951s) started
T01 >> 1462333008.03894901 Potential matrix (7.64991s) started
T01 << 1462333008.29270911 Potential matrix (7.90367s) stopped
T01 >> 1462333008.29276609 DistributedAtomicCorrection (40.76755s) started
T01 << 1462333009.64566803 DistributedAtomicCorrection (42.12045s) stopped
T01 >> 1462333009.64570403 Distribute overlap matrix (33.03589s) started
T01 >> 1462333009.64572310 blocked summation (31.21972s) started
T01 << 1462333010.69085693 blocked summation (32.26486s) stopped
T01 >> 1462333010.69235611 Scalapack redistribute (1.76263s) started
T01 << 1462333010.75274205 Scalapack redistribute (1.82301s) stopped
T01 << 1462333010.75278306 Distribute overlap matrix (34.14297s) stopped
T01 >> 1462333010.75332904 Blacs Orbital Layouts (87.99572s) started
T01 >> 1462333010.75521588 General diagonalize (86.32571s) started
T01 << 1462333013.62518191 General diagonalize (89.19568s) stopped
T01 >> 1462333013.62522292 Redistribute coefs (0.07812s) started
T01 << 1462333013.62726998 Redistribute coefs (0.08017s) stopped
T01 >> 1462333013.62735891 Send coefs to domains (1.53663s) started
T01 << 1462333013.67786789 Send coefs to domains (1.58714s) stopped
T01 << 1462333013.67817402 Blacs Orbital Layouts (90.92057s) stopped
T01 >> 1462333013.67819905 Calculate projections (77.96563s) started
T01 << 1462333016.28065109 Calculate projections (80.56808s) stopped
T01 << 1462333016.28087211 LCAO eigensolver (255.68144s) stopped
T01 >> 1462333016.28153992 Density (61.76253s) started
T01 >> 1462333016.28155208 Pseudo density (50.93299s) started
T01 >> 1462333016.28192997 Calculate density matrix (45.81278s) started
T01 << 1462333017.80259299 Calculate density matrix (47.33345s) stopped
T01 >> 1462333017.80264997 Construct density (5.03721s) started
T01 << 1462333017.97042990 Construct density (5.20499s) stopped
T01 >> 1462333017.97237492 Symmetrize density (0.00123s) started
T01 << 1462333017.97240305 Symmetrize density (0.00126s) stopped
T01 << 1462333017.97278309 Pseudo density (52.62422s) stopped
T01 >> 1462333017.97280192 Atomic density matrices (7.17432s) started
T01 << 1462333018.22008300 Atomic density matrices (7.42160s) stopped
T01 >> 1462333018.22011399 Multipole moments (0.09240s) started
T01 << 1462333018.22321606 Multipole moments (0.09550s) stopped
T01 >> 1462333018.22323895 Normalize (0.03034s) started
T01 << 1462333018.22422695 Normalize (0.03133s) stopped
T01 >> 1462333018.22425795 Mix (3.53076s) started
T01 << 1462333018.34351301 Mix (3.65002s) stopped
T01 << 1462333018.34354591 Density (63.82453s) stopped
T01 >> 1462333018.34357309 Hamiltonian (629.08543s) started
T01 >> 1462333018.34358811 vbar (0.32520s) started
T01 << 1462333018.35435200 vbar (0.33597s) stopped
T01 >> 1462333018.35441589 XC 3D grid (302.40373s) started
T01 >> 1462333018.53234696 van der Waals (291.61545s) started
T01 >> 1462333018.57452607 semilocal (66.80218s) started
T01 << 1462333020.79034996 semilocal (69.01801s) stopped
T01 >> 1462333020.82130694 redistribute (33.87379s) started
T01 << 1462333021.21339893 redistribute (34.26588s) stopped
T01 >> 1462333021.21344090 libvdwxc nonlocal (188.71085s) started
T01 << 1462333027.51180601 libvdwxc nonlocal (195.00922s) stopped
T01 >> 1462333027.51184607 redistribute (34.26591s) started
T01 << 1462333028.25507903 redistribute (35.00915s) stopped
T01 << 1462333028.25685406 van der Waals (301.33995s) stopped
T01 << 1462333028.43620110 XC 3D grid (312.48552s) stopped
T01 >> 1462333028.43623996 Poisson (76.19829s) started
T01 << 1462333030.16954994 Poisson (77.93160s) stopped
T01 >> 1462333030.16964889 Hartree integrate/restrict (2.46226s) started
T01 << 1462333030.18515992 Hartree integrate/restrict (2.47777s) stopped
T01 >> 1462333030.18529296 Hartree integrate/restrict (2.47787s) started
T01 << 1462333030.25015211 Hartree integrate/restrict (2.54272s) stopped
T01 >> 1462333030.27233911 Atomic (170.72010s) started
T01 >> 1462333030.28083611 XC Correction (170.38098s) started
T01 << 1462333035.96004605 XC Correction (176.06019s) stopped
T01 << 1462333035.96288991 Atomic (176.41065s) stopped
T01 >> 1462333035.96295691 Communicate (76.36517s) started
T01 << 1462333038.49853206 Communicate (78.90075s) stopped
T01 << 1462333038.49855804 Hamiltonian (649.24042s) stopped
T01 >> 1462333038.49859405 LCAO eigensolver (255.68146s) started
T01 >> 1462333038.49860597 Potential matrix (7.90370s) started
T01 << 1462333038.75170398 Potential matrix (8.15680s) stopped
T01 >> 1462333038.75175905 DistributedAtomicCorrection (42.12048s) started
T01 << 1462333040.10722709 DistributedAtomicCorrection (43.47594s) stopped
T01 >> 1462333040.10726309 Distribute overlap matrix (34.14298s) started
T01 >> 1462333040.10728192 blocked summation (32.26489s) started
T01 << 1462333041.14443302 blocked summation (33.30204s) stopped
T01 >> 1462333041.14614892 Scalapack redistribute (1.82304s) started
T01 << 1462333041.20446897 Scalapack redistribute (1.88136s) stopped
T01 << 1462333041.20450997 Distribute overlap matrix (35.24023s) stopped
T01 >> 1462333041.20508194 Blacs Orbital Layouts (90.92058s) started
T01 >> 1462333041.20702410 General diagonalize (89.19571s) started
T01 << 1462333044.07455802 General diagonalize (92.06325s) stopped
T01 >> 1462333044.07459903 Redistribute coefs (0.08024s) started
T01 << 1462333044.07663703 Redistribute coefs (0.08228s) stopped
T01 >> 1462333044.07671690 Send coefs to domains (1.58717s) started
T01 << 1462333044.12640595 Send coefs to domains (1.63686s) stopped
T01 << 1462333044.12672997 Blacs Orbital Layouts (93.84223s) stopped
T01 >> 1462333044.12675595 Calculate projections (80.56813s) started
T01 << 1462333046.72399402 Calculate projections (83.16536s) stopped
T01 << 1462333046.72420692 LCAO eigensolver (263.90707s) stopped
T01 >> 1462333046.72482896 Density (63.82455s) started
T01 >> 1462333046.72484112 Pseudo density (52.62424s) started
T01 >> 1462333046.72523594 Calculate density matrix (47.33348s) started
T01 << 1462333048.25251102 Calculate density matrix (48.86076s) stopped
T01 >> 1462333048.25256300 Construct density (5.20502s) started
T01 << 1462333048.42032909 Construct density (5.37278s) stopped
T01 >> 1462333048.42230392 Symmetrize density (0.00127s) started
T01 << 1462333048.42233396 Symmetrize density (0.00130s) stopped
T01 << 1462333048.42271900 Pseudo density (54.32212s) stopped
T01 >> 1462333048.42273808 Atomic density matrices (7.42162s) started
T01 << 1462333048.66512489 Atomic density matrices (7.66401s) stopped
T01 >> 1462333048.66515589 Multipole moments (0.09552s) started
T01 << 1462333048.66823101 Multipole moments (0.09859s) stopped
T01 >> 1462333048.66825294 Normalize (0.03135s) started
T01 << 1462333048.66923594 Normalize (0.03233s) stopped
T01 >> 1462333048.66926908 Mix (3.65005s) started
T01 << 1462333048.78881788 Mix (3.76960s) stopped
T01 << 1462333048.78889799 Density (65.88861s) stopped
T01 >> 1462333048.78893805 Hamiltonian (649.24043s) started
T01 >> 1462333048.78895593 vbar (0.33601s) started
T01 << 1462333048.79959798 vbar (0.34665s) stopped
T01 >> 1462333048.79966807 XC 3D grid (312.48555s) started
T01 >> 1462333048.97843194 van der Waals (301.33998s) started
T01 >> 1462333049.02056408 semilocal (69.01808s) started
T01 << 1462333051.23799205 semilocal (71.23550s) stopped
T01 >> 1462333051.26882100 redistribute (35.00918s) started
T01 << 1462333051.66781807 redistribute (35.40818s) stopped
T01 >> 1462333051.66787505 libvdwxc nonlocal (195.00925s) started
T01 << 1462333057.96388602 libvdwxc nonlocal (201.30526s) stopped
T01 >> 1462333057.96392798 redistribute (35.40822s) started
T01 << 1462333058.70778203 redistribute (36.15207s) stopped
T01 << 1462333058.70888805 van der Waals (311.07043s) stopped
T01 << 1462333058.89158702 XC 3D grid (322.57746s) stopped
T01 >> 1462333058.89163089 Poisson (77.93168s) started
T01 << 1462333060.62652612 Poisson (79.66657s) stopped
T01 >> 1462333060.62657404 Hartree integrate/restrict (2.54275s) started
T01 << 1462333060.64197707 Hartree integrate/restrict (2.55815s) stopped
T01 >> 1462333060.64208698 Hartree integrate/restrict (2.55823s) started
T01 << 1462333060.71292400 Hartree integrate/restrict (2.62907s) stopped
T01 >> 1462333060.72864103 Atomic (176.41067s) started
T01 >> 1462333060.73717308 XC Correction (176.06021s) started
T01 << 1462333066.41858697 XC Correction (181.74162s) stopped
T01 << 1462333066.42143607 Atomic (182.10346s) stopped
T01 >> 1462333066.42150402 Communicate (78.90077s) started
T01 << 1462333068.95644403 Communicate (81.43571s) stopped
T01 << 1462333068.95647001 Hamiltonian (669.40796s) stopped
T01 >> 1462333068.95650792 LCAO eigensolver (263.90709s) started
T01 >> 1462333068.95652008 Potential matrix (8.15683s) started
T01 << 1462333069.21164107 Potential matrix (8.41195s) stopped
T01 >> 1462333069.21169591 DistributedAtomicCorrection (43.47597s) started
T01 << 1462333070.59116292 DistributedAtomicCorrection (44.85543s) stopped
T01 >> 1462333070.59120011 Distribute overlap matrix (35.24024s) started
T01 >> 1462333070.59121895 blocked summation (33.30207s) started
T01 << 1462333071.60002899 blocked summation (34.31088s) stopped
T01 >> 1462333071.60172892 Scalapack redistribute (1.88139s) started
T01 << 1462333071.65960789 Scalapack redistribute (1.93927s) stopped
T01 << 1462333071.65965295 Distribute overlap matrix (36.30869s) stopped
T01 >> 1462333071.66020608 Blacs Orbital Layouts (93.84225s) started
T01 >> 1462333071.66176009 General diagonalize (92.06328s) started
T01 << 1462333074.53320003 General diagonalize (94.93472s) stopped
T01 >> 1462333074.53324008 Redistribute coefs (0.08234s) started
T01 << 1462333074.53603196 Redistribute coefs (0.08514s) stopped
T01 >> 1462333074.53607106 Send coefs to domains (1.63689s) started
T01 << 1462333074.58463597 Send coefs to domains (1.68545s) stopped
T01 << 1462333074.58482289 Blacs Orbital Layouts (96.76686s) stopped
T01 >> 1462333074.58484793 Calculate projections (83.16540s) started
T01 << 1462333077.18321896 Calculate projections (85.76378s) stopped
T01 << 1462333077.18343210 LCAO eigensolver (272.13401s) stopped
T01 >> 1462333077.18417311 Density (65.88863s) started
T01 >> 1462333077.18418503 Pseudo density (54.32213s) started
T01 >> 1462333077.18453407 Calculate density matrix (48.86079s) started
T01 << 1462333078.71524096 Calculate density matrix (50.39150s) stopped
T01 >> 1462333078.71529102 Construct density (5.37281s) started
T01 << 1462333078.88308692 Construct density (5.54061s) stopped
T01 >> 1462333078.88520789 Symmetrize density (0.00131s) started
T01 << 1462333078.88523698 Symmetrize density (0.00134s) stopped
T01 << 1462333078.88561702 Pseudo density (56.02356s) stopped
T01 >> 1462333078.88563895 Atomic density matrices (7.66403s) started
T01 << 1462333079.12391400 Atomic density matrices (7.90231s) stopped
T01 >> 1462333079.12394500 Multipole moments (0.09861s) started
T01 << 1462333079.12695909 Multipole moments (0.10162s) stopped
T01 >> 1462333079.12698197 Normalize (0.03236s) started
T01 << 1462333079.12796092 Normalize (0.03333s) stopped
T01 >> 1462333079.12799907 Mix (3.76968s) started
T01 << 1462333079.24651504 Mix (3.88819s) stopped
T01 << 1462333079.24655390 Density (67.95101s) stopped
T01 >> 1462333079.24658704 Hamiltonian (669.40797s) started
T01 >> 1462333079.24660301 vbar (0.34669s) started
T01 << 1462333079.25726390 vbar (0.35735s) stopped
T01 >> 1462333079.25733089 XC 3D grid (322.57749s) started
T01 >> 1462333079.43726492 van der Waals (311.07046s) started
T01 >> 1462333079.47835207 semilocal (71.23557s) started
T01 << 1462333081.69990301 semilocal (73.45712s) stopped
T01 >> 1462333081.73088694 redistribute (36.15211s) started
T01 << 1462333082.13606811 redistribute (36.55729s) stopped
T01 >> 1462333082.13610911 libvdwxc nonlocal (201.30529s) started
T01 << 1462333088.44147301 libvdwxc nonlocal (207.61065s) stopped
T01 >> 1462333088.44151402 redistribute (36.55732s) started
T01 << 1462333089.19515395 redistribute (37.31096s) stopped
T01 << 1462333089.19670010 van der Waals (320.82990s) stopped
T01 << 1462333089.37810111 XC 3D grid (332.69826s) stopped
T01 >> 1462333089.37814093 Poisson (79.66661s) started
T01 << 1462333090.55093694 Poisson (80.83941s) stopped
T01 >> 1462333090.55098701 Hartree integrate/restrict (2.62910s) started
T01 << 1462333090.56630492 Hartree integrate/restrict (2.64442s) stopped
T01 >> 1462333090.56641603 Hartree integrate/restrict (2.64450s) started
T01 << 1462333090.63059211 Hartree integrate/restrict (2.70867s) stopped
T01 >> 1462333090.65391397 Atomic (182.10348s) started
T01 >> 1462333090.66238999 XC Correction (181.74164s) started
T01 << 1462333096.31841397 XC Correction (187.39767s) stopped
T01 << 1462333096.32126188 Atomic (187.77083s) stopped
T01 >> 1462333096.32133198 Communicate (81.43572s) started
T01 << 1462333098.79153991 Communicate (83.90593s) stopped
T01 << 1462333098.79156494 Hamiltonian (688.95295s) stopped
T01 >> 1462333098.79160309 LCAO eigensolver (272.13403s) started
T01 >> 1462333098.79161501 Potential matrix (8.41198s) started
T01 << 1462333099.04549003 Potential matrix (8.66585s) stopped
T01 >> 1462333099.04554701 DistributedAtomicCorrection (44.85546s) started
T01 << 1462333100.40446806 DistributedAtomicCorrection (46.21438s) stopped
T01 >> 1462333100.40450406 Distribute overlap matrix (36.30870s) started
T01 >> 1462333100.40452290 blocked summation (34.31091s) started
T01 << 1462333101.41811490 blocked summation (35.32450s) stopped
T01 >> 1462333101.41975904 Scalapack redistribute (1.93930s) started
T01 << 1462333101.47947907 Scalapack redistribute (1.99902s) stopped
T01 << 1462333101.47951889 Distribute overlap matrix (37.38372s) stopped
T01 >> 1462333101.48007488 Blacs Orbital Layouts (96.76688s) started
T01 >> 1462333101.48167706 General diagonalize (94.93475s) started
T01 << 1462333104.35669994 General diagonalize (97.80977s) stopped
T01 >> 1462333104.35674191 Redistribute coefs (0.08517s) started
T01 << 1462333104.35951090 Redistribute coefs (0.08793s) stopped
T01 >> 1462333104.35955000 Send coefs to domains (1.68549s) started
T01 << 1462333104.40921092 Send coefs to domains (1.73515s) stopped
T01 << 1462333104.40940309 Blacs Orbital Layouts (99.69621s) stopped
T01 >> 1462333104.40942907 Calculate projections (85.76382s) started
T01 << 1462333107.00820303 Calculate projections (88.36259s) stopped
T01 << 1462333107.00840807 LCAO eigensolver (280.35084s) stopped
T01 << 1462333107.00918102 SCF-cycle (1037.27794s) stopped
T01 >> 1462333107.87628889 Force calculation (0.00000s) started
T01 >> 1462333107.87631893 LCAO forces (0.00000s) started
T01 >> 1462333107.87666297 Initial (0.00000s) started
T01 << 1462333107.87667394 Initial (0.00001s) stopped
T01 >> 1462333107.88079095 Get density matrix (0.00000s) started
T01 << 1462333108.44433808 Get density matrix (0.56355s) stopped
T01 >> 1462333108.44437599 Potential (0.00000s) started
T01 << 1462333109.78262496 Potential (1.33825s) stopped
T01 >> 1462333109.78267097 Get density matrix (0.56358s) started
T01 << 1462333112.57399297 Get density matrix (3.35490s) stopped
T01 >> 1462333112.57404399 Prepare TCI loop (0.00000s) started
T01 >> 1462333112.57443190 Get neighbors (0.00000s) started
T01 << 1462333114.03811312 Get neighbors (1.46368s) stopped
T01 >> 1462333114.03817797 broadcast dH (0.00000s) started
T01 << 1462333114.17725110 broadcast dH (0.13908s) stopped
T01 << 1462333114.17729306 Prepare TCI loop (1.60325s) stopped
T01 >> 1462333114.17730999 Not so complicated loop (0.00000s) started
T01 << 1462333116.57781100 Not so complicated loop (2.40050s) stopped
T01 >> 1462333116.72635794 Complicated loop (0.00000s) started
T01 << 1462333125.49974489 Complicated loop (8.77339s) stopped
T01 >> 1462333125.49983692 Wait for sum (0.00000s) started
T01 << 1462333125.49986792 Wait for sum (0.00003s) stopped
T01 << 1462333125.49987888 LCAO forces (17.62356s) stopped
T01 << 1462333135.67670608 Force calculation (27.80042s) stopped
T01 >> 1462333135.69342804 Initialization (45.07684s) started
T01 << 1462333135.69356990 Initialization (45.07698s) stopped
T01 >> 1462333135.69376302 Initialization (45.07700s) started
T01 << 1462333135.69387388 Initialization (45.07711s) stopped
T01 >> 1462333135.69399095 Initialization (45.07712s) started
T01 << 1462333135.69409895 Initialization (45.07723s) stopped
T01 >> 1462333148.38609290 Initialization (45.07725s) started
T01 >> 1462333148.47541690 Basic WFS set positions (0.07547s) started
T01 >> 1462333148.47544003 Redistribute (0.00000s) started
T01 << 1462333148.47556710 Redistribute (0.00013s) stopped
T01 << 1462333148.55132008 Basic WFS set positions (0.15137s) stopped
T01 >> 1462333148.55134296 Basis functions set positions (0.57669s) started
T01 << 1462333148.92378497 Basis functions set positions (0.94913s) stopped
T01 >> 1462333148.92647696 TCI: Calculate S, T, P (14.18885s) started
T01 << 1462333163.01167107 TCI: Calculate S, T, P (28.27405s) stopped
T01 >> 1462333163.01172304 blocked summation (3.28368s) started
T01 << 1462333166.39155293 blocked summation (6.66351s) stopped
T01 >> 1462333166.39295292 Scalapack redistribute (0.09812s) started
T01 << 1462333166.44981003 Scalapack redistribute (0.15497s) stopped
T01 >> 1462333166.45007992 blocked summation (6.66355s) started
T01 << 1462333166.62655306 blocked summation (6.84002s) stopped
T01 >> 1462333166.62786698 Scalapack redistribute (0.15501s) started
T01 << 1462333166.82397199 Scalapack redistribute (0.35111s) stopped
T01 >> 1462333166.82498288 Redistribute (0.00000s) started
T01 << 1462333166.82585692 Redistribute (0.00088s) stopped
T01 >> 1462333167.71585703 Redistribute (0.00089s) started
T01 << 1462333167.71668196 Redistribute (0.00172s) stopped
T01 >> 1462333167.72513795 LCAO WFS Initialize (24.10149s) started
T01 >> 1462333167.72516203 Density initialize from wavefunctions (0.00000s) started
T01 >> 1462333167.72548294 Calculate density matrix (0.00000s) started
T01 << 1462333168.43509793 Calculate density matrix (0.70962s) stopped
T01 >> 1462333168.43514705 Construct density (0.00000s) started
T01 << 1462333168.60309911 Construct density (0.16795s) stopped
T01 >> 1462333168.60516405 Symmetrize density (0.00000s) started
T01 << 1462333168.60519290 Symmetrize density (0.00003s) stopped
T01 << 1462333168.93634510 Density initialize from wavefunctions (1.21118s) stopped
T01 >> 1462333168.93694592 Hamiltonian (23.90685s) started
T01 >> 1462333168.93698597 vbar (0.01216s) started
T01 << 1462333168.94921994 vbar (0.02439s) stopped
T01 >> 1462333168.94928789 XC 3D grid (9.93542s) started
T01 >> 1462333169.12590599 van der Waals (9.58289s) started
T01 >> 1462333169.16744399 semilocal (2.24186s) started
T01 << 1462333171.38852501 semilocal (4.46294s) stopped
T01 >> 1462333171.41872001 redistribute (1.03467s) started
T01 << 1462333171.80005097 redistribute (1.41600s) stopped
T01 >> 1462333171.80012202 libvdwxc nonlocal (6.23059s) started
T01 << 1462333178.08759689 libvdwxc nonlocal (12.51806s) stopped
T01 >> 1462333178.08767295 redistribute (1.41606s) started
T01 << 1462333178.81473088 redistribute (2.14312s) stopped
T01 << 1462333178.81653690 van der Waals (19.27352s) stopped
T01 << 1462333178.98692703 XC 3D grid (19.97306s) stopped
T01 >> 1462333178.98696494 Poisson (5.65034s) started
T01 << 1462333184.11504889 Poisson (10.77843s) stopped
T01 >> 1462333184.11510396 Hartree integrate/restrict (0.08035s) started
T01 << 1462333184.13031507 Hartree integrate/restrict (0.09556s) stopped
T01 >> 1462333184.13039088 Hartree integrate/restrict (0.09560s) started
T01 << 1462333184.19379497 Hartree integrate/restrict (0.15900s) stopped
T01 >> 1462333184.21587706 Atomic (5.66365s) started
T01 >> 1462333184.22558594 XC Correction (5.65214s) started
T01 << 1462333191.56224203 XC Correction (12.98879s) stopped
T01 << 1462333191.56527805 Atomic (13.01305s) stopped
T01 >> 1462333191.56543589 Communicate (2.52835s) started
T01 << 1462333199.96364689 Communicate (10.92656s) stopped
T01 << 1462333199.96367192 Hamiltonian (54.93357s) stopped
T01 << 1462333199.96371293 LCAO WFS Initialize (56.34007s) stopped
T01 << 1462333199.97553897 Initialization (96.66669s) stopped
T01 >> 1462333199.99903488 SCF-cycle (1037.27796s) started
T01 >> 1462333199.99906707 LCAO eigensolver (280.35085s) started
T01 >> 1462333199.99907994 Potential matrix (8.66588s) started
T01 << 1462333200.25262690 Potential matrix (8.91943s) stopped
T01 >> 1462333200.25268888 DistributedAtomicCorrection (46.21441s) started
T01 << 1462333201.64682698 DistributedAtomicCorrection (47.60855s) stopped
T01 >> 1462333201.64688611 Distribute overlap matrix (37.38373s) started
T01 >> 1462333201.64690709 blocked summation (35.32453s) started
T01 << 1462333202.69800496 blocked summation (36.37563s) stopped
T01 >> 1462333202.69973302 Scalapack redistribute (1.99905s) started
T01 << 1462333202.75638199 Scalapack redistribute (2.05570s) stopped
T01 << 1462333202.75644207 Distribute overlap matrix (38.49329s) stopped
T01 >> 1462333202.75703907 Blacs Orbital Layouts (99.69622s) started
T01 >> 1462333202.75817800 General diagonalize (97.80980s) started
T01 << 1462333205.42286706 General diagonalize (100.47449s) stopped
T01 >> 1462333205.42290902 Redistribute coefs (0.08797s) started
T01 << 1462333205.42600989 Redistribute coefs (0.09107s) stopped
T01 >> 1462333205.42604804 Send coefs to domains (1.73518s) started
T01 << 1462333205.47551298 Send coefs to domains (1.78464s) stopped
T01 << 1462333205.47571397 Blacs Orbital Layouts (102.41490s) stopped
T01 >> 1462333205.47573996 Calculate projections (88.36264s) started
T01 << 1462333208.07516289 Calculate projections (90.96206s) stopped
T01 << 1462333208.07540989 LCAO eigensolver (288.42720s) stopped
T01 >> 1462333208.07596588 Density (67.95103s) started
T01 >> 1462333208.07597804 Pseudo density (56.02358s) started
T01 >> 1462333208.07633901 Calculate density matrix (50.39153s) started
T01 << 1462333209.51927590 Calculate density matrix (51.83447s) stopped
T01 >> 1462333209.51932693 Construct density (5.54064s) started
T01 << 1462333209.68723202 Construct density (5.70854s) stopped
T01 >> 1462333209.68927002 Symmetrize density (0.00135s) started
T01 << 1462333209.68929911 Symmetrize density (0.00138s) stopped
T01 << 1462333209.68966794 Pseudo density (57.63727s) stopped
T01 >> 1462333209.68968701 Atomic density matrices (7.90233s) started
T01 << 1462333209.92493796 Atomic density matrices (8.13758s) stopped
T01 >> 1462333209.92496800 Multipole moments (0.10164s) started
T01 << 1462333209.92835808 Multipole moments (0.10503s) stopped
T01 >> 1462333209.92838001 Normalize (0.03336s) started
T01 << 1462333209.92939997 Normalize (0.03438s) stopped
T01 >> 1462333209.92944098 Mix (3.88823s) started
T01 << 1462333210.03044605 Mix (3.98924s) stopped
T01 << 1462333210.03052711 Density (69.90559s) stopped
T01 >> 1462333210.03063607 Hamiltonian (688.95296s) started
T01 >> 1462333210.03065491 vbar (0.35739s) started
T01 << 1462333210.04304004 vbar (0.36978s) stopped
T01 >> 1462333210.04309297 XC 3D grid (332.69829s) started
T01 >> 1462333210.21736908 van der Waals (320.82992s) started
T01 >> 1462333210.25970101 semilocal (73.45722s) started
T01 << 1462333212.47249603 semilocal (75.67001s) stopped
T01 >> 1462333212.50385690 redistribute (37.31099s) started
T01 << 1462333212.90787911 redistribute (37.71501s) stopped
T01 >> 1462333212.90791798 libvdwxc nonlocal (207.61068s) started
T01 << 1462333219.24215293 libvdwxc nonlocal (213.94492s) stopped
T01 >> 1462333219.24222112 redistribute (37.71504s) started
T01 << 1462333219.99806809 redistribute (38.47089s) stopped
T01 << 1462333219.99987197 van der Waals (330.61242s) stopped
T01 << 1462333220.17367101 XC 3D grid (342.82887s) stopped
T01 >> 1462333220.17371202 Poisson (80.83944s) started
T01 << 1462333224.14986610 Poisson (84.81560s) stopped
T01 >> 1462333224.14991903 Hartree integrate/restrict (2.70871s) started
T01 << 1462333224.16547108 Hartree integrate/restrict (2.72427s) stopped
T01 >> 1462333224.16554594 Hartree integrate/restrict (2.72432s) started
T01 << 1462333224.23289108 Hartree integrate/restrict (2.79166s) stopped
T01 >> 1462333224.25240493 Atomic (187.77084s) started
T01 >> 1462333224.26232505 XC Correction (187.39769s) started
T01 << 1462333231.18063211 XC Correction (194.31599s) stopped
T01 << 1462333231.18367290 Atomic (194.70211s) stopped
T01 >> 1462333231.18376899 Communicate (83.90595s) started
T01 << 1462333239.07576990 Communicate (91.79795s) stopped
T01 << 1462333239.07579803 Hamiltonian (717.99813s) stopped
T01 >> 1462333239.07586002 LCAO eigensolver (288.42722s) started
T01 >> 1462333239.07587290 Potential matrix (8.91946s) started
T01 << 1462333239.33092403 Potential matrix (9.17451s) stopped
T01 >> 1462333239.33098412 DistributedAtomicCorrection (47.60857s) started
T01 << 1462333240.71694589 DistributedAtomicCorrection (48.99453s) stopped
T01 >> 1462333240.71700597 Distribute overlap matrix (38.49330s) started
T01 >> 1462333240.71702600 blocked summation (36.37566s) started
T01 << 1462333241.78932190 blocked summation (37.44796s) stopped
T01 >> 1462333241.79071808 Scalapack redistribute (2.05573s) started
T01 << 1462333241.84891105 Scalapack redistribute (2.11392s) stopped
T01 << 1462333241.84897590 Distribute overlap matrix (39.62527s) stopped
T01 >> 1462333241.84960794 Blacs Orbital Layouts (102.41491s) started
T01 >> 1462333241.85154104 General diagonalize (100.47452s) started
T01 << 1462333244.52402806 General diagonalize (103.14701s) stopped
T01 >> 1462333244.52406907 Redistribute coefs (0.09110s) started
T01 << 1462333244.52660203 Redistribute coefs (0.09363s) stopped
T01 >> 1462333244.52664590 Send coefs to domains (1.78468s) started
T01 << 1462333244.57748890 Send coefs to domains (1.83552s) stopped
T01 << 1462333244.57783389 Blacs Orbital Layouts (105.14314s) stopped
T01 >> 1462333244.57787108 Calculate projections (90.96211s) started
T01 << 1462333247.17715311 Calculate projections (93.56139s) stopped
T01 << 1462333247.17739105 LCAO eigensolver (296.52875s) stopped
T01 >> 1462333247.17810392 Density (69.90560s) started
T01 >> 1462333247.17811704 Pseudo density (57.63728s) started
T01 >> 1462333247.17849588 Calculate density matrix (51.83451s) started
T01 << 1462333248.62091994 Calculate density matrix (53.27693s) stopped
T01 >> 1462333248.62097096 Construct density (5.70857s) started
T01 << 1462333248.78885794 Construct density (5.87646s) stopped
T01 >> 1462333248.79095101 Symmetrize density (0.00139s) started
T01 << 1462333248.79098010 Symmetrize density (0.00142s) stopped
T01 << 1462333248.79134393 Pseudo density (59.25051s) stopped
T01 >> 1462333248.79136395 Atomic density matrices (8.13760s) started
T01 << 1462333249.02696609 Atomic density matrices (8.37320s) stopped
T01 >> 1462333249.02699590 Multipole moments (0.10504s) started
T01 << 1462333249.03043795 Multipole moments (0.10849s) stopped
T01 >> 1462333249.03045988 Normalize (0.03442s) started
T01 << 1462333249.03148508 Normalize (0.03544s) stopped
T01 >> 1462333249.03152394 Mix (3.98931s) started
T01 << 1462333249.13636994 Mix (4.09416s) stopped
T01 << 1462333249.13647795 Density (71.86398s) stopped
T01 >> 1462333249.13659692 Hamiltonian (717.99814s) started
T01 >> 1462333249.13661504 vbar (0.36981s) started
T01 << 1462333249.14919710 vbar (0.38239s) stopped
T01 >> 1462333249.14926291 XC 3D grid (342.82890s) started
T01 >> 1462333249.32249808 van der Waals (330.61249s) started
T01 >> 1462333249.36519408 semilocal (75.67011s) started
T01 << 1462333251.57436490 semilocal (77.87928s) stopped
T01 >> 1462333251.60717511 redistribute (38.47097s) started
T01 << 1462333252.00662398 redistribute (38.87041s) stopped
T01 >> 1462333252.00667191 libvdwxc nonlocal (213.94497s) started
T01 << 1462333258.29080796 libvdwxc nonlocal (220.22911s) stopped
T01 >> 1462333258.29086590 redistribute (38.87045s) started
T01 << 1462333259.03038406 redistribute (39.60996s) stopped
T01 << 1462333259.03162408 van der Waals (340.32162s) stopped
T01 << 1462333259.20379996 XC 3D grid (352.88344s) stopped
T01 >> 1462333259.20384192 Poisson (84.81563s) started
T01 << 1462333262.59079695 Poisson (88.20259s) stopped
T01 >> 1462333262.59087110 Hartree integrate/restrict (2.79170s) started
T01 << 1462333262.60608006 Hartree integrate/restrict (2.80690s) stopped
T01 >> 1462333262.60614300 Hartree integrate/restrict (2.80695s) started
T01 << 1462333262.66908097 Hartree integrate/restrict (2.86988s) stopped
T01 >> 1462333262.69148207 Atomic (194.70213s) started
T01 >> 1462333262.70118308 XC Correction (194.31602s) started
T01 << 1462333269.26703501 XC Correction (200.88187s) stopped
T01 << 1462333269.27008510 Atomic (201.28073s) stopped
T01 >> 1462333269.27018309 Communicate (91.79797s) started
T01 << 1462333276.34788990 Communicate (98.87568s) stopped
T01 << 1462333276.34791493 Hamiltonian (745.20946s) stopped
T01 >> 1462333276.34797406 LCAO eigensolver (296.52876s) started
T01 >> 1462333276.34798694 Potential matrix (9.17455s) started
T01 << 1462333276.60324311 Potential matrix (9.42980s) stopped
T01 >> 1462333276.60330296 DistributedAtomicCorrection (48.99456s) started
T01 << 1462333277.98321605 DistributedAtomicCorrection (50.37448s) stopped
T01 >> 1462333277.98327494 Distribute overlap matrix (39.62528s) started
T01 >> 1462333277.98329496 blocked summation (37.44799s) started
T01 << 1462333279.06411195 blocked summation (38.52881s) stopped
T01 >> 1462333279.06575394 Scalapack redistribute (2.11395s) started
T01 << 1462333279.12411809 Scalapack redistribute (2.17231s) stopped
T01 << 1462333279.12421703 Distribute overlap matrix (40.76622s) stopped
T01 >> 1462333279.12484193 Blacs Orbital Layouts (105.14316s) started
T01 >> 1462333279.12633109 General diagonalize (103.14704s) started
T01 << 1462333281.76768494 General diagonalize (105.78840s) stopped
T01 >> 1462333281.76772904 Redistribute coefs (0.09366s) started
T01 << 1462333281.77058196 Redistribute coefs (0.09652s) stopped
T01 >> 1462333281.77062511 Send coefs to domains (1.83555s) started
T01 << 1462333281.81960511 Send coefs to domains (1.88453s) stopped
T01 << 1462333281.81980395 Blacs Orbital Layouts (107.83812s) stopped
T01 >> 1462333281.81984091 Calculate projections (93.56144s) started
T01 << 1462333284.41794491 Calculate projections (96.15955s) stopped
T01 << 1462333284.41815996 LCAO eigensolver (304.59895s) stopped
T01 >> 1462333284.41895604 Density (71.86399s) started
T01 >> 1462333284.41896892 Pseudo density (59.25052s) started
T01 >> 1462333284.41935301 Calculate density matrix (53.27697s) started
T01 << 1462333285.86029792 Calculate density matrix (54.71791s) stopped
T01 >> 1462333285.86036205 Construct density (5.87649s) started
T01 << 1462333286.02863693 Construct density (6.04476s) stopped
T01 >> 1462333286.03075600 Symmetrize density (0.00143s) started
T01 << 1462333286.03078604 Symmetrize density (0.00146s) stopped
T01 << 1462333286.03114700 Pseudo density (60.86270s) stopped
T01 >> 1462333286.03116703 Atomic density matrices (8.37323s) started
T01 << 1462333286.26627707 Atomic density matrices (8.60834s) stopped
T01 >> 1462333286.26630712 Multipole moments (0.10850s) started
T01 << 1462333286.26978302 Multipole moments (0.11198s) stopped
T01 >> 1462333286.26980495 Normalize (0.03547s) started
T01 << 1462333286.27082992 Normalize (0.03650s) stopped
T01 >> 1462333286.27087307 Mix (4.09426s) started
T01 << 1462333286.37881899 Mix (4.20221s) stopped
T01 << 1462333286.37890911 Density (73.82395s) stopped
T01 >> 1462333286.37902308 Hamiltonian (745.20947s) started
T01 >> 1462333286.37904310 vbar (0.38243s) started
T01 << 1462333286.39128995 vbar (0.39468s) stopped
T01 >> 1462333286.39134789 XC 3D grid (352.88347s) started
T01 >> 1462333286.56914496 van der Waals (340.32166s) started
T01 >> 1462333286.61173391 semilocal (77.87934s) started
T01 << 1462333288.83099389 semilocal (80.09860s) stopped
T01 >> 1462333288.86188602 redistribute (39.61003s) started
T01 << 1462333289.26594400 redistribute (40.01409s) stopped
T01 >> 1462333289.26599097 libvdwxc nonlocal (220.22915s) started
T01 << 1462333295.53430510 libvdwxc nonlocal (226.49747s) stopped
T01 >> 1462333295.53437996 redistribute (40.01412s) started
T01 << 1462333296.28202701 redistribute (40.76176s) stopped
T01 << 1462333296.28318310 van der Waals (350.03569s) stopped
T01 << 1462333296.45616102 XC 3D grid (362.94828s) stopped
T01 >> 1462333296.45620203 Poisson (88.20264s) started
T01 << 1462333299.87542605 Poisson (91.62187s) stopped
T01 >> 1462333299.87547493 Hartree integrate/restrict (2.86991s) started
T01 << 1462333299.89086390 Hartree integrate/restrict (2.88530s) stopped
T01 >> 1462333299.89093995 Hartree integrate/restrict (2.88536s) started
T01 << 1462333299.95521998 Hartree integrate/restrict (2.94964s) stopped
T01 >> 1462333299.97714496 Atomic (201.28075s) started
T01 >> 1462333299.98682404 XC Correction (200.88189s) started
T01 << 1462333306.60033011 XC Correction (207.49539s) stopped
T01 << 1462333306.60336709 Atomic (207.90697s) stopped
T01 >> 1462333306.60346389 Communicate (98.87569s) started
T01 << 1462333312.72562003 Communicate (104.99785s) stopped
T01 << 1462333312.72564697 Hamiltonian (771.55609s) stopped
T01 >> 1462333312.72570300 LCAO eigensolver (304.59897s) started
T01 >> 1462333312.72571707 Potential matrix (9.42983s) started
T01 << 1462333312.98040700 Potential matrix (9.68452s) stopped
T01 >> 1462333312.98046708 DistributedAtomicCorrection (50.37451s) started
T01 << 1462333314.36371303 DistributedAtomicCorrection (51.75775s) stopped
T01 >> 1462333314.36377096 Distribute overlap matrix (40.76623s) started
T01 >> 1462333314.36379099 blocked summation (38.52884s) started
T01 << 1462333315.43750906 blocked summation (39.60256s) stopped
T01 >> 1462333315.43916702 Scalapack redistribute (2.17234s) started
T01 << 1462333315.49776602 Scalapack redistribute (2.23094s) stopped
T01 << 1462333315.49782896 Distribute overlap matrix (41.90029s) stopped
T01 >> 1462333315.49844909 Blacs Orbital Layouts (107.83814s) started
T01 >> 1462333315.50033903 General diagonalize (105.78843s) started
T01 << 1462333318.14690900 General diagonalize (108.43500s) stopped
T01 >> 1462333318.14695096 Redistribute coefs (0.09655s) started
T01 << 1462333318.14955091 Redistribute coefs (0.09915s) stopped
T01 >> 1462333318.14958811 Send coefs to domains (1.88456s) started
T01 << 1462333318.19917798 Send coefs to domains (1.93415s) stopped
T01 << 1462333318.19952393 Blacs Orbital Layouts (110.53921s) stopped
T01 >> 1462333318.19956207 Calculate projections (96.15960s) started
T01 << 1462333320.79722309 Calculate projections (98.75726s) stopped
T01 << 1462333320.79744697 LCAO eigensolver (312.67071s) stopped
T01 >> 1462333320.79809809 Density (73.82396s) started
T01 >> 1462333320.79811096 Pseudo density (60.86272s) started
T01 >> 1462333320.79848194 Calculate density matrix (54.71795s) started
T01 << 1462333322.24347711 Calculate density matrix (56.16294s) stopped
T01 >> 1462333322.24353409 Construct density (6.04479s) started
T01 << 1462333322.41145897 Construct density (6.21272s) stopped
T01 >> 1462333322.41346002 Symmetrize density (0.00147s) started
T01 << 1462333322.41349006 Symmetrize density (0.00150s) stopped
T01 << 1462333322.41386104 Pseudo density (62.47847s) stopped
T01 >> 1462333322.41388011 Atomic density matrices (8.60836s) started
T01 << 1462333322.64964390 Atomic density matrices (8.84412s) stopped
T01 >> 1462333322.64967489 Multipole moments (0.11199s) started
T01 << 1462333322.65311503 Multipole moments (0.11543s) stopped
T01 >> 1462333322.65313792 Normalize (0.03653s) started
T01 << 1462333322.65416193 Normalize (0.03755s) stopped
T01 >> 1462333322.65420103 Mix (4.20230s) started
T01 << 1462333322.76565599 Mix (4.31375s) stopped
T01 << 1462333322.76575994 Density (75.79163s) stopped
T01 >> 1462333322.76588202 Hamiltonian (771.55611s) started
T01 >> 1462333322.76590109 vbar (0.39471s) started
T01 << 1462333322.77845001 vbar (0.40726s) stopped
T01 >> 1462333322.77851796 XC 3D grid (362.94832s) started
T01 >> 1462333322.95445395 van der Waals (350.03572s) started
T01 >> 1462333322.99674511 semilocal (80.09865s) started
T01 << 1462333325.21959901 semilocal (82.32151s) stopped
T01 >> 1462333325.25035095 redistribute (40.76183s) started
T01 << 1462333325.63925290 redistribute (41.15073s) stopped
T01 >> 1462333325.63932896 libvdwxc nonlocal (226.49752s) started
T01 << 1462333331.92931199 libvdwxc nonlocal (232.78750s) stopped
T01 >> 1462333331.92936611 redistribute (41.15078s) started
T01 << 1462333332.67553306 redistribute (41.89695s) stopped
T01 << 1462333332.67691493 van der Waals (359.75818s) stopped
T01 << 1462333332.85219908 XC 3D grid (373.02200s) stopped
T01 >> 1462333332.85224009 Poisson (91.62190s) started
T01 << 1462333335.68260002 Poisson (94.45226s) stopped
T01 >> 1462333335.68267202 Hartree integrate/restrict (2.94966s) started
T01 << 1462333335.69791508 Hartree integrate/restrict (2.96491s) stopped
T01 >> 1462333335.69797611 Hartree integrate/restrict (2.96495s) started
T01 << 1462333335.76161289 Hartree integrate/restrict (3.02859s) stopped
T01 >> 1462333335.78352094 Atomic (207.90698s) started
T01 >> 1462333335.79354596 XC Correction (207.49541s) started
T01 << 1462333342.46320391 XC Correction (214.16507s) stopped
T01 << 1462333342.46628094 Atomic (214.58974s) stopped
T01 >> 1462333342.46637797 Communicate (104.99787s) started
T01 << 1462333347.87230396 Communicate (110.40379s) stopped
T01 << 1462333347.87232995 Hamiltonian (796.66255s) stopped
T01 >> 1462333347.87238598 LCAO eigensolver (312.67073s) started
T01 >> 1462333347.87239909 Potential matrix (9.68456s) started
T01 << 1462333348.12574697 Potential matrix (9.93790s) stopped
T01 >> 1462333348.12580609 DistributedAtomicCorrection (51.75778s) started
T01 << 1462333349.51934600 DistributedAtomicCorrection (53.15132s) stopped
T01 >> 1462333349.51940489 Distribute overlap matrix (41.90030s) started
T01 >> 1462333349.51942492 blocked summation (39.60259s) started
T01 << 1462333350.58571911 blocked summation (40.66888s) stopped
T01 >> 1462333350.58716393 Scalapack redistribute (2.23097s) started
T01 << 1462333350.64611506 Scalapack redistribute (2.28992s) stopped
T01 << 1462333350.64618111 Distribute overlap matrix (43.02708s) stopped
T01 >> 1462333350.64678001 Blacs Orbital Layouts (110.53923s) started
T01 >> 1462333350.64867902 General diagonalize (108.43503s) started
T01 << 1462333353.28816605 General diagonalize (111.07452s) stopped
T01 >> 1462333353.28820705 Redistribute coefs (0.09918s) started
T01 << 1462333353.29063392 Redistribute coefs (0.10160s) stopped
T01 >> 1462333353.29067302 Send coefs to domains (1.93418s) started
T01 << 1462333353.34054804 Send coefs to domains (1.98406s) stopped
T01 << 1462333353.34088993 Blacs Orbital Layouts (113.23334s) stopped
T01 >> 1462333353.34092593 Calculate projections (98.75730s) started
T01 << 1462333355.93867707 Calculate projections (101.35505s) stopped
T01 << 1462333355.93889093 LCAO eigensolver (320.73723s) stopped
T01 >> 1462333355.93953896 Density (75.79164s) started
T01 >> 1462333355.93955112 Pseudo density (62.47848s) started
T01 >> 1462333355.93992805 Calculate density matrix (56.16298s) started
T01 << 1462333357.38335800 Calculate density matrix (57.60641s) stopped
T01 >> 1462333357.38341403 Construct density (6.21275s) started
T01 << 1462333357.55145693 Construct density (6.38079s) stopped
T01 >> 1462333357.55344105 Symmetrize density (0.00151s) started
T01 << 1462333357.55348897 Symmetrize density (0.00156s) stopped
T01 << 1462333357.55386305 Pseudo density (64.09279s) stopped
T01 >> 1462333357.55388308 Atomic density matrices (8.84415s) started
T01 << 1462333357.78904510 Atomic density matrices (9.07931s) stopped
T01 >> 1462333357.78907490 Multipole moments (0.11545s) started
T01 << 1462333357.79248309 Multipole moments (0.11886s) stopped
T01 >> 1462333357.79250503 Normalize (0.03758s) started
T01 << 1462333357.79352808 Normalize (0.03861s) stopped
T01 >> 1462333357.79356790 Mix (4.31385s) started
T01 << 1462333357.90835309 Mix (4.42864s) stopped
T01 << 1462333357.90845108 Density (77.76055s) stopped
T01 >> 1462333357.90855694 Hamiltonian (796.66257s) started
T01 >> 1462333357.90857601 vbar (0.40730s) started
T01 << 1462333357.92091298 vbar (0.41963s) stopped
T01 >> 1462333357.92098403 XC 3D grid (373.02203s) started
T01 >> 1462333358.10049796 van der Waals (359.75822s) started
T01 >> 1462333358.14193606 semilocal (82.32159s) started
T01 << 1462333360.37619710 semilocal (84.55585s) stopped
T01 >> 1462333360.40651703 redistribute (41.89702s) started
T01 << 1462333360.78857088 redistribute (42.27908s) stopped
T01 >> 1462333360.78865004 libvdwxc nonlocal (232.78754s) started
T01 << 1462333367.06185889 libvdwxc nonlocal (239.06075s) stopped
T01 >> 1462333367.06190705 redistribute (42.27913s) started
T01 << 1462333367.80289102 redistribute (43.02012s) stopped
T01 << 1462333367.80398107 van der Waals (369.46170s) stopped
T01 << 1462333367.98250008 XC 3D grid (383.08355s) stopped
T01 >> 1462333367.98254204 Poisson (94.45231s) started
T01 << 1462333371.39579511 Poisson (97.86557s) stopped
T01 >> 1462333371.39584708 Hartree integrate/restrict (3.02862s) started
T01 << 1462333371.41126299 Hartree integrate/restrict (3.04403s) stopped
T01 >> 1462333371.41140199 Hartree integrate/restrict (3.04413s) started
T01 << 1462333371.47827792 Hartree integrate/restrict (3.11101s) stopped
T01 >> 1462333371.49750590 Atomic (214.58976s) started
T01 >> 1462333371.50746012 XC Correction (214.16509s) started
T01 << 1462333378.28315997 XC Correction (220.94079s) stopped
T01 << 1462333378.28622699 Atomic (221.37848s) stopped
T01 >> 1462333378.28632307 Communicate (110.40381s) started
T01 << 1462333383.36458802 Communicate (115.48207s) stopped
T01 << 1462333383.36461401 Hamiltonian (822.11862s) stopped
T01 >> 1462333383.36467290 LCAO eigensolver (320.73725s) started
T01 >> 1462333383.36470604 Potential matrix (9.93794s) started
T01 << 1462333383.61878490 Potential matrix (10.19201s) stopped
T01 >> 1462333383.61884308 DistributedAtomicCorrection (53.15135s) started
T01 << 1462333385.04929304 DistributedAtomicCorrection (54.58180s) stopped
T01 >> 1462333385.04935098 Distribute overlap matrix (43.02709s) started
T01 >> 1462333385.04937100 blocked summation (40.66891s) started
T01 << 1462333386.05270791 blocked summation (41.67225s) stopped
T01 >> 1462333386.05437708 Scalapack redistribute (2.28995s) started
T01 << 1462333386.11501789 Scalapack redistribute (2.35059s) stopped
T01 << 1462333386.11507797 Distribute overlap matrix (44.09282s) stopped
T01 >> 1462333386.11569309 Blacs Orbital Layouts (113.23335s) started
T01 >> 1462333386.11715388 General diagonalize (111.07455s) started
T01 << 1462333388.75171089 General diagonalize (113.70910s) stopped
T01 >> 1462333388.75175405 Redistribute coefs (0.10163s) started
T01 << 1462333388.75453711 Redistribute coefs (0.10442s) stopped
T01 >> 1462333388.75457597 Send coefs to domains (1.98409s) started
T01 << 1462333388.80398011 Send coefs to domains (2.03350s) stopped
T01 << 1462333388.80417609 Blacs Orbital Layouts (115.92184s) stopped
T01 >> 1462333388.80421209 Calculate projections (101.35510s) started
T01 << 1462333391.40216589 Calculate projections (103.95305s) stopped
T01 << 1462333391.40238690 LCAO eigensolver (328.77496s) stopped
T01 >> 1462333391.40301895 Density (77.76057s) started
T01 >> 1462333391.40303111 Pseudo density (64.09281s) started
T01 >> 1462333391.40340900 Calculate density matrix (57.60644s) started
T01 << 1462333392.84139490 Calculate density matrix (59.04443s) stopped
T01 >> 1462333392.84145403 Construct density (6.38082s) started
T01 << 1462333393.00937009 Construct density (6.54874s) stopped
T01 >> 1462333393.01133990 Symmetrize density (0.00157s) started
T01 << 1462333393.01136899 Symmetrize density (0.00160s) stopped
T01 << 1462333393.01173902 Pseudo density (65.70152s) stopped
T01 >> 1462333393.01175904 Atomic density matrices (9.07933s) started
T01 << 1462333393.24606490 Atomic density matrices (9.31363s) stopped
T01 >> 1462333393.24609590 Multipole moments (0.11887s) started
T01 << 1462333393.24955297 Multipole moments (0.12233s) stopped
T01 >> 1462333393.24957490 Normalize (0.03864s) started
T01 << 1462333393.25060201 Normalize (0.03966s) stopped
T01 >> 1462333393.25064206 Mix (4.42873s) started
T01 << 1462333393.36766195 Mix (4.54575s) stopped
T01 << 1462333393.36775494 Density (79.72530s) stopped
T01 >> 1462333393.36804199 Hamiltonian (822.11864s) started
T01 >> 1462333393.36806798 vbar (0.41967s) started
T01 << 1462333393.38030696 vbar (0.43191s) stopped
T01 >> 1462333393.38037205 XC 3D grid (383.08358s) started
T01 >> 1462333393.55664206 van der Waals (369.46177s) started
T01 >> 1462333393.59845304 semilocal (84.55592s) started
T01 << 1462333395.82896709 semilocal (86.78644s) stopped
T01 >> 1462333395.85920501 redistribute (43.02016s) started
T01 << 1462333396.24384308 redistribute (43.40480s) stopped
T01 >> 1462333396.24391198 libvdwxc nonlocal (239.06078s) started
T01 << 1462333402.53382707 libvdwxc nonlocal (245.35069s) stopped
T01 >> 1462333402.53388309 redistribute (43.40485s) started
T01 << 1462333403.27737689 redistribute (44.14834s) stopped
T01 << 1462333403.27847791 van der Waals (379.18360s) stopped
T01 << 1462333403.45561194 XC 3D grid (393.15882s) stopped
T01 >> 1462333403.45565200 Poisson (97.86561s) started
T01 << 1462333405.73480511 Poisson (100.14476s) stopped
T01 >> 1462333405.73486590 Hartree integrate/restrict (3.11105s) started
T01 << 1462333405.75021696 Hartree integrate/restrict (3.12640s) stopped
T01 >> 1462333405.75029302 Hartree integrate/restrict (3.12645s) started
T01 << 1462333405.81453896 Hartree integrate/restrict (3.19069s) stopped
T01 >> 1462333405.83793402 Atomic (221.37850s) started
T01 >> 1462333405.84785008 XC Correction (220.94081s) started
T01 << 1462333412.52886510 XC Correction (227.62183s) stopped
T01 << 1462333412.53193307 Atomic (228.07250s) stopped
T01 >> 1462333412.53203297 Communicate (115.48209s) started
T01 << 1462333417.86437011 Communicate (120.81443s) stopped
T01 << 1462333417.86439610 Hamiltonian (846.61500s) stopped
T01 >> 1462333417.86445403 LCAO eigensolver (328.77498s) started
T01 >> 1462333417.86446810 Potential matrix (10.19205s) started
T01 << 1462333418.11841106 Potential matrix (10.44599s) stopped
T01 >> 1462333418.11846900 DistributedAtomicCorrection (54.58182s) started
T01 << 1462333419.54195595 DistributedAtomicCorrection (56.00531s) stopped
T01 >> 1462333419.54201603 Distribute overlap matrix (44.09283s) started
T01 >> 1462333419.54203606 blocked summation (41.67228s) started
T01 << 1462333420.57411194 blocked summation (42.70436s) stopped
T01 >> 1462333420.57576203 Scalapack redistribute (2.35062s) started
T01 << 1462333420.63597894 Scalapack redistribute (2.41084s) stopped
T01 << 1462333420.63603902 Distribute overlap matrix (45.18685s) stopped
T01 >> 1462333420.63668394 Blacs Orbital Layouts (115.92185s) started
T01 >> 1462333420.63816500 General diagonalize (113.70914s) started
T01 << 1462333423.26370311 General diagonalize (116.33467s) stopped
T01 >> 1462333423.26374698 Redistribute coefs (0.10445s) started
T01 << 1462333423.26652598 Redistribute coefs (0.10723s) stopped
T01 >> 1462333423.26656294 Send coefs to domains (2.03353s) started
T01 << 1462333423.31622696 Send coefs to domains (2.08319s) stopped
T01 << 1462333423.31642795 Blacs Orbital Layouts (118.60160s) stopped
T01 >> 1462333423.31646490 Calculate projections (103.95310s) started
T01 << 1462333425.91413808 Calculate projections (106.55078s) stopped
T01 << 1462333425.91434407 LCAO eigensolver (336.82487s) stopped
T01 >> 1462333425.91499996 Density (79.72532s) started
T01 >> 1462333425.91501307 Pseudo density (65.70153s) started
T01 >> 1462333425.91536903 Calculate density matrix (59.04446s) started
T01 << 1462333427.35946488 Calculate density matrix (60.48856s) stopped
T01 >> 1462333427.35951996 Construct density (6.54877s) started
T01 << 1462333427.52742505 Construct density (6.71667s) stopped
T01 >> 1462333427.52944589 Symmetrize density (0.00161s) started
T01 << 1462333427.52947593 Symmetrize density (0.00164s) stopped
T01 << 1462333427.52984691 Pseudo density (67.31637s) stopped
T01 >> 1462333427.52986598 Atomic density matrices (9.31366s) started
T01 << 1462333427.76521611 Atomic density matrices (9.54901s) stopped
T01 >> 1462333427.76524591 Multipole moments (0.12234s) started
T01 << 1462333427.76871395 Multipole moments (0.12581s) stopped
T01 >> 1462333427.76873589 Normalize (0.03969s) started
T01 << 1462333427.76976705 Normalize (0.04073s) stopped
T01 >> 1462333427.76980710 Mix (4.54584s) started
T01 << 1462333427.88586307 Mix (4.66190s) stopped
T01 << 1462333427.88594508 Density (81.69627s) stopped
T01 >> 1462333427.88607001 Hamiltonian (846.61501s) started
T01 >> 1462333427.88609195 vbar (0.43195s) started
T01 << 1462333427.89858007 vbar (0.44444s) stopped
T01 >> 1462333427.89865899 XC 3D grid (393.15885s) started
T01 >> 1462333428.07817411 van der Waals (379.18364s) started
T01 >> 1462333428.12041306 semilocal (86.78651s) started
T01 << 1462333430.36034799 semilocal (89.02645s) stopped
T01 >> 1462333430.39191389 redistribute (44.14841s) started
T01 << 1462333430.77092910 redistribute (44.52743s) stopped
T01 >> 1462333430.77100205 libvdwxc nonlocal (245.35073s) started
T01 << 1462333437.03985500 libvdwxc nonlocal (251.61958s) stopped
T01 >> 1462333437.03990412 redistribute (44.52748s) started
T01 << 1462333437.78037310 redistribute (45.26795s) stopped
T01 << 1462333437.78161311 van der Waals (388.88708s) stopped
T01 << 1462333437.95621705 XC 3D grid (403.21641s) stopped
T01 >> 1462333437.95625401 Poisson (100.14480s) started
T01 << 1462333440.80273604 Poisson (102.99129s) stopped
T01 >> 1462333440.80280089 Hartree integrate/restrict (3.19072s) started
T01 << 1462333440.81816006 Hartree integrate/restrict (3.20608s) stopped
T01 >> 1462333440.81821704 Hartree integrate/restrict (3.20612s) started
T01 << 1462333440.88863707 Hartree integrate/restrict (3.27654s) stopped
T01 >> 1462333440.90565705 Atomic (228.07252s) started
T01 >> 1462333440.91568804 XC Correction (227.62185s) started
T01 << 1462333447.54588389 XC Correction (234.25204s) stopped
T01 << 1462333447.54895210 Atomic (234.71581s) stopped
T01 >> 1462333447.54904795 Communicate (120.81445s) started
T01 << 1462333453.21260405 Communicate (126.47800s) stopped
T01 << 1462333453.21263289 Hamiltonian (871.94157s) stopped
T01 >> 1462333453.21269011 LCAO eigensolver (336.82491s) started
T01 >> 1462333453.21270299 Potential matrix (10.44602s) started
T01 << 1462333453.46883392 Potential matrix (10.70215s) stopped
T01 >> 1462333453.46889400 DistributedAtomicCorrection (56.00534s) started
T01 << 1462333454.88298893 DistributedAtomicCorrection (57.41944s) stopped
T01 >> 1462333454.88304806 Distribute overlap matrix (45.18686s) started
T01 >> 1462333454.88306808 blocked summation (42.70439s) started
T01 << 1462333455.92162299 blocked summation (43.74295s) stopped
T01 >> 1462333455.92309904 Scalapack redistribute (2.41086s) started
T01 << 1462333455.98168397 Scalapack redistribute (2.46945s) stopped
T01 << 1462333455.98174500 Distribute overlap matrix (46.28556s) stopped
T01 >> 1462333455.98234105 Blacs Orbital Layouts (118.60161s) started
T01 >> 1462333455.98347807 General diagonalize (116.33471s) started
T01 << 1462333458.64243507 General diagonalize (118.99366s) stopped
T01 >> 1462333458.64247704 Redistribute coefs (0.10725s) started
T01 << 1462333458.64547610 Redistribute coefs (0.11025s) stopped
T01 >> 1462333458.64551592 Send coefs to domains (2.08322s) started
T01 << 1462333458.69541597 Send coefs to domains (2.13312s) stopped
T01 << 1462333458.69562292 Blacs Orbital Layouts (121.31490s) stopped
T01 >> 1462333458.69566202 Calculate projections (106.55082s) started
T01 << 1462333461.29259992 Calculate projections (109.14776s) stopped
T01 << 1462333461.29281211 LCAO eigensolver (344.90503s) stopped
T01 >> 1462333461.29346395 Density (81.69628s) started
T01 >> 1462333461.29347610 Pseudo density (67.31638s) started
T01 >> 1462333461.29387999 Calculate density matrix (60.48859s) started
T01 << 1462333462.77268195 Calculate density matrix (61.96739s) stopped
T01 >> 1462333462.77273798 Construct density (6.71671s) started
T01 << 1462333462.94066000 Construct density (6.88463s) stopped
T01 >> 1462333462.94263411 Symmetrize density (0.00165s) started
T01 << 1462333462.94266200 Symmetrize density (0.00168s) stopped
T01 << 1462333462.94304299 Pseudo density (68.96595s) stopped
T01 >> 1462333462.94306207 Atomic density matrices (9.54903s) started
T01 << 1462333463.17802095 Atomic density matrices (9.78399s) stopped
T01 >> 1462333463.17805099 Multipole moments (0.12583s) started
T01 << 1462333463.18153596 Multipole moments (0.12931s) stopped
T01 >> 1462333463.18155789 Normalize (0.04076s) started
T01 << 1462333463.18257999 Normalize (0.04178s) stopped
T01 >> 1462333463.18262601 Mix (4.66197s) started
T01 << 1462333463.30651808 Mix (4.78587s) stopped
T01 << 1462333463.30656195 Density (83.70938s) stopped
T01 >> 1462333463.30663800 Hamiltonian (871.94158s) started
T01 >> 1462333463.30665493 vbar (0.44449s) started
T01 << 1462333463.31589603 vbar (0.45373s) stopped
T01 >> 1462333463.31599092 XC 3D grid (403.21643s) started
T01 >> 1462333463.49415207 van der Waals (388.88715s) started
T01 >> 1462333463.53625298 semilocal (89.02652s) started
T01 << 1462333465.76729202 semilocal (91.25756s) stopped
T01 >> 1462333465.79775691 redistribute (45.26801s) started
T01 << 1462333466.18171906 redistribute (45.65197s) stopped
T01 >> 1462333466.18176699 libvdwxc nonlocal (251.61961s) started
T01 << 1462333472.55293107 libvdwxc nonlocal (257.99078s) stopped
T01 >> 1462333472.55297804 redistribute (45.65200s) started
T01 << 1462333473.30573297 redistribute (46.40476s) stopped
T01 << 1462333473.30694509 van der Waals (398.69994s) stopped
T01 << 1462333473.48711991 XC 3D grid (413.38756s) stopped
T01 >> 1462333473.48716092 Poisson (102.99133s) started
T01 << 1462333476.37585902 Poisson (105.88003s) stopped
T01 >> 1462333476.37592697 Hartree integrate/restrict (3.27658s) started
T01 << 1462333476.39092493 Hartree integrate/restrict (3.29158s) stopped
T01 >> 1462333476.39098191 Hartree integrate/restrict (3.29162s) started
T01 << 1462333476.46024799 Hartree integrate/restrict (3.36088s) stopped
T01 >> 1462333476.47548008 Atomic (234.71583s) started
T01 >> 1462333476.48538208 XC Correction (234.25207s) started
T01 << 1462333483.09299111 XC Correction (240.85968s) stopped
T01 << 1462333483.09605193 Atomic (241.33640s) stopped
T01 >> 1462333483.09614992 Communicate (126.47802s) started
T01 << 1462333488.70309806 Communicate (132.08497s) stopped
T01 << 1462333488.70312500 Hamiltonian (897.33807s) stopped
T01 >> 1462333488.70318103 LCAO eigensolver (344.90505s) started
T01 >> 1462333488.70319510 Potential matrix (10.70218s) started
T01 << 1462333488.95740104 Potential matrix (10.95639s) stopped
T01 >> 1462333488.95746112 DistributedAtomicCorrection (57.41946s) started
T01 << 1462333490.34445405 DistributedAtomicCorrection (58.80646s) stopped
T01 >> 1462333490.34451294 Distribute overlap matrix (46.28557s) started
T01 >> 1462333490.34453392 blocked summation (43.74298s) started
T01 << 1462333491.39645910 blocked summation (44.79490s) stopped
T01 >> 1462333491.39807606 Scalapack redistribute (2.46948s) started
T01 << 1462333491.45691991 Scalapack redistribute (2.52832s) stopped
T01 << 1462333491.45699000 Distribute overlap matrix (47.39805s) stopped
T01 >> 1462333491.45759010 Blacs Orbital Layouts (121.31491s) started
T01 >> 1462333491.45872402 General diagonalize (118.99369s) started
T01 << 1462333494.12745905 General diagonalize (121.66243s) stopped
T01 >> 1462333494.12750292 Redistribute coefs (0.11029s) started
T01 << 1462333494.13025093 Redistribute coefs (0.11303s) stopped
T01 >> 1462333494.13029003 Send coefs to domains (2.13315s) started
T01 << 1462333494.17877293 Send coefs to domains (2.18164s) stopped
T01 << 1462333494.17897606 Blacs Orbital Layouts (124.03630s) stopped
T01 >> 1462333494.17901707 Calculate projections (109.14781s) started
T01 << 1462333496.77608299 Calculate projections (111.74487s) stopped
T01 << 1462333496.77629089 LCAO eigensolver (352.97816s) stopped
T01 >> 1462333496.77693009 Density (83.70940s) started
T01 >> 1462333496.77694201 Pseudo density (68.96596s) started
T01 >> 1462333496.77731109 Calculate density matrix (61.96743s) started
T01 << 1462333498.24996710 Calculate density matrix (63.44008s) stopped
T01 >> 1462333498.25002694 Construct density (6.88466s) started
T01 << 1462333498.41796589 Construct density (7.05260s) stopped
T01 >> 1462333498.41994810 Symmetrize density (0.00169s) started
T01 << 1462333498.41997695 Symmetrize density (0.00172s) stopped
T01 << 1462333498.42035604 Pseudo density (70.60938s) stopped
T01 >> 1462333498.42037511 Atomic density matrices (9.78401s) started
T01 << 1462333498.65539789 Atomic density matrices (10.01903s) stopped
T01 >> 1462333498.65542793 Multipole moments (0.12933s) started
T01 << 1462333498.65891194 Multipole moments (0.13281s) stopped
T01 >> 1462333498.65893412 Normalize (0.04181s) started
T01 << 1462333498.65996003 Normalize (0.04284s) stopped
T01 >> 1462333498.66000104 Mix (4.78591s) started
T01 << 1462333498.78131390 Mix (4.90722s) stopped
T01 << 1462333498.78138709 Density (85.71385s) stopped
T01 >> 1462333498.78146005 Hamiltonian (897.33808s) started
T01 >> 1462333498.78147602 vbar (0.45378s) started
T01 << 1462333498.78920293 vbar (0.46151s) stopped
T01 >> 1462333498.78925896 XC 3D grid (413.38759s) started
T01 >> 1462333498.96786690 van der Waals (398.69998s) started
T01 >> 1462333499.01146412 semilocal (91.25764s) started
T01 << 1462333501.22648001 semilocal (93.47266s) stopped
T01 >> 1462333501.25747204 redistribute (46.40480s) started
T01 << 1462333501.64968109 redistribute (46.79701s) stopped
T01 >> 1462333501.64972711 libvdwxc nonlocal (257.99081s) started
T01 << 1462333507.93865705 libvdwxc nonlocal (264.27974s) stopped
T01 >> 1462333507.93870401 redistribute (46.79704s) started
T01 << 1462333508.68865895 redistribute (47.54699s) stopped
T01 << 1462333508.68996406 van der Waals (408.42208s) stopped
T01 << 1462333508.86838889 XC 3D grid (423.46672s) stopped
T01 >> 1462333508.86843109 Poisson (105.88008s) started
T01 << 1462333511.20514297 Poisson (108.21679s) stopped
T01 >> 1462333511.20519805 Hartree integrate/restrict (3.36092s) started
T01 << 1462333511.22024894 Hartree integrate/restrict (3.37597s) stopped
T01 >> 1462333511.22036409 Hartree integrate/restrict (3.37605s) started
T01 << 1462333511.28523302 Hartree integrate/restrict (3.44092s) stopped
T01 >> 1462333511.30786610 Atomic (241.33642s) started
T01 >> 1462333511.31779504 XC Correction (240.85969s) started
T01 << 1462333517.96852899 XC Correction (247.51043s) stopped
T01 << 1462333517.97160506 Atomic (248.00016s) stopped
T01 >> 1462333517.97170711 Communicate (132.08499s) started
T01 << 1462333523.75318003 Communicate (137.86646s) stopped
T01 << 1462333523.75320506 Hamiltonian (922.30983s) stopped
T01 >> 1462333523.75326395 LCAO eigensolver (352.97818s) started
T01 >> 1462333523.75327706 Potential matrix (10.95642s) started
T01 << 1462333524.00811791 Potential matrix (11.21127s) stopped
T01 >> 1462333524.00817895 DistributedAtomicCorrection (58.80648s) started
T01 << 1462333525.39132190 DistributedAtomicCorrection (60.18963s) stopped
T01 >> 1462333525.39138293 Distribute overlap matrix (47.39806s) started
T01 >> 1462333525.39140296 blocked summation (44.79494s) started
T01 << 1462333526.44485998 blocked summation (45.84839s) stopped
T01 >> 1462333526.44645309 Scalapack redistribute (2.52836s) started
T01 << 1462333526.50595689 Scalapack redistribute (2.58786s) stopped
T01 << 1462333526.50602698 Distribute overlap matrix (48.51270s) stopped
T01 >> 1462333526.50662589 Blacs Orbital Layouts (124.03631s) started
T01 >> 1462333526.50775290 General diagonalize (121.66246s) started
T01 << 1462333529.16696501 General diagonalize (124.32167s) stopped
T01 >> 1462333529.16700912 Redistribute coefs (0.11306s) started
T01 << 1462333529.16978407 Redistribute coefs (0.11584s) stopped
T01 >> 1462333529.16982388 Send coefs to domains (2.18167s) started
T01 << 1462333529.21987700 Send coefs to domains (2.23172s) stopped
T01 << 1462333529.22008610 Blacs Orbital Layouts (126.74978s) stopped
T01 >> 1462333529.22012305 Calculate projections (111.74492s) started
T01 << 1462333531.81710100 Calculate projections (114.34190s) stopped
T01 << 1462333531.81731510 LCAO eigensolver (361.04223s) stopped
T01 >> 1462333531.81793809 Density (85.71387s) started
T01 >> 1462333531.81795001 Pseudo density (70.60939s) started
T01 >> 1462333531.81828809 Calculate density matrix (63.44012s) started
T01 << 1462333533.30256104 Calculate density matrix (64.92439s) stopped
T01 >> 1462333533.30262399 Construct density (7.05263s) started
T01 << 1462333533.47059011 Construct density (7.22060s) stopped
T01 >> 1462333533.47259498 Symmetrize density (0.00173s) started
T01 << 1462333533.47262597 Symmetrize density (0.00176s) stopped
T01 << 1462333533.47299099 Pseudo density (72.26443s) stopped
T01 >> 1462333533.47301006 Atomic density matrices (10.01906s) started
T01 << 1462333533.70801306 Atomic density matrices (10.25406s) stopped
T01 >> 1462333533.70804310 Multipole moments (0.13283s) started
T01 << 1462333533.71152496 Multipole moments (0.13631s) stopped
T01 >> 1462333533.71154594 Normalize (0.04287s) started
T01 << 1462333533.71256590 Normalize (0.04389s) stopped
T01 >> 1462333533.71260595 Mix (4.90729s) started
T01 << 1462333533.83362508 Mix (5.02831s) stopped
T01 << 1462333533.83366394 Density (87.72959s) stopped
T01 >> 1462333533.83375597 Hamiltonian (922.30984s) started
T01 >> 1462333533.83377099 vbar (0.46154s) started
T01 << 1462333533.84260201 vbar (0.47037s) stopped
T01 >> 1462333533.84265709 XC 3D grid (423.46676s) started
T01 >> 1462333534.02457094 van der Waals (408.42212s) started
T01 >> 1462333534.06655312 semilocal (93.47272s) started
T01 << 1462333536.29118609 semilocal (95.69735s) stopped
T01 >> 1462333536.32152891 redistribute (47.54707s) started
T01 << 1462333536.70434308 redistribute (47.92988s) stopped
T01 >> 1462333536.70438910 libvdwxc nonlocal (264.27977s) started
T01 << 1462333543.02639604 libvdwxc nonlocal (270.60178s) stopped
T01 >> 1462333543.02647090 redistribute (47.92991s) started
T01 << 1462333543.78214598 redistribute (48.68559s) stopped
T01 << 1462333543.78343892 van der Waals (418.18099s) stopped
T01 << 1462333543.96598101 XC 3D grid (433.59008s) stopped
T01 >> 1462333543.96602011 Poisson (108.21683s) started
T01 << 1462333546.84882808 Poisson (111.09964s) stopped
T01 >> 1462333546.84887409 Hartree integrate/restrict (3.44095s) started
T01 << 1462333546.86396003 Hartree integrate/restrict (3.45603s) stopped
T01 >> 1462333546.86409593 Hartree integrate/restrict (3.45613s) started
T01 << 1462333546.92920709 Hartree integrate/restrict (3.52124s) stopped
T01 >> 1462333546.95222306 Atomic (248.00018s) started
T01 >> 1462333546.96199894 XC Correction (247.51045s) started
T01 << 1462333553.49367309 XC Correction (254.04212s) stopped
T01 << 1462333553.49676609 Atomic (254.54472s) stopped
T01 >> 1462333553.49686503 Communicate (137.86648s) started
T01 << 1462333559.32195306 Communicate (143.69157s) stopped
T01 << 1462333559.32198000 Hamiltonian (947.79806s) stopped
T01 >> 1462333559.32203507 LCAO eigensolver (361.04224s) started
T01 >> 1462333559.32204890 Potential matrix (11.21130s) started
T01 << 1462333559.57627296 Potential matrix (11.46552s) stopped
T01 >> 1462333559.57633209 DistributedAtomicCorrection (60.18966s) started
T01 << 1462333560.99131894 DistributedAtomicCorrection (61.60464s) stopped
T01 >> 1462333560.99137902 Distribute overlap matrix (48.51271s) started
T01 >> 1462333560.99139905 blocked summation (45.84843s) started
T01 << 1462333562.02396607 blocked summation (46.88099s) stopped
T01 >> 1462333562.02586007 Scalapack redistribute (2.58789s) started
T01 << 1462333562.08488488 Scalapack redistribute (2.64692s) stopped
T01 << 1462333562.08494592 Distribute overlap matrix (49.60628s) stopped
T01 >> 1462333562.08552504 Blacs Orbital Layouts (126.74979s) started
T01 >> 1462333562.08666611 General diagonalize (124.32171s) started
T01 << 1462333564.74771190 General diagonalize (126.98275s) stopped
T01 >> 1462333564.74775505 Redistribute coefs (0.11587s) started
T01 << 1462333564.75002789 Redistribute coefs (0.11814s) stopped
T01 >> 1462333564.75006890 Send coefs to domains (2.23175s) started
T01 << 1462333564.79914904 Send coefs to domains (2.28083s) stopped
T01 << 1462333564.79936409 Blacs Orbital Layouts (129.46363s) stopped
T01 >> 1462333564.79940510 Calculate projections (114.34194s) started
T01 << 1462333567.39799905 Calculate projections (116.94054s) stopped
T01 << 1462333567.39837408 LCAO eigensolver (369.11858s) stopped
T01 >> 1462333567.39901209 Density (87.72961s) started
T01 >> 1462333567.39902401 Pseudo density (72.26444s) started
T01 >> 1462333567.39937901 Calculate density matrix (64.92443s) started
T01 << 1462333568.87290907 Calculate density matrix (66.39796s) stopped
T01 >> 1462333568.87297106 Construct density (7.22063s) started
T01 << 1462333569.04078698 Construct density (7.38845s) stopped
T01 >> 1462333569.04280496 Symmetrize density (0.00178s) started
T01 << 1462333569.04283309 Symmetrize density (0.00180s) stopped
T01 << 1462333569.04320002 Pseudo density (73.90862s) stopped
T01 >> 1462333569.04321909 Atomic density matrices (10.25408s) started
T01 << 1462333569.27860594 Atomic density matrices (10.48947s) stopped
T01 >> 1462333569.27864099 Multipole moments (0.13632s) started
T01 << 1462333569.28219891 Multipole moments (0.13988s) stopped
T01 >> 1462333569.28221989 Normalize (0.04392s) started
T01 << 1462333569.28322911 Normalize (0.04493s) stopped
T01 >> 1462333569.28327107 Mix (5.02835s) started
T01 << 1462333569.40457892 Mix (5.14965s) stopped
T01 << 1462333569.40464711 Density (89.73524s) stopped
T01 >> 1462333569.40473604 Hamiltonian (947.79807s) started
T01 >> 1462333569.40475297 vbar (0.47040s) started
T01 << 1462333569.41347408 vbar (0.47913s) stopped
T01 >> 1462333569.41356397 XC 3D grid (433.59011s) started
T01 >> 1462333569.59243989 van der Waals (418.18106s) started
T01 >> 1462333569.63452911 semilocal (95.69742s) started
T01 << 1462333571.86681509 semilocal (97.92970s) stopped
T01 >> 1462333571.89927411 redistribute (48.68564s) started
T01 << 1462333572.27960396 redistribute (49.06597s) stopped
T01 >> 1462333572.27965808 libvdwxc nonlocal (270.60183s) started
T01 << 1462333578.56677008 libvdwxc nonlocal (276.88894s) stopped
T01 >> 1462333578.56684494 redistribute (49.06601s) started
T01 << 1462333579.31578112 redistribute (49.81495s) stopped
T01 << 1462333579.31702805 van der Waals (427.90565s) stopped
T01 << 1462333579.49861693 XC 3D grid (443.67516s) stopped
T01 >> 1462333579.49865603 Poisson (111.09968s) started
T01 << 1462333581.82302904 Poisson (113.42405s) stopped
T01 >> 1462333581.82308292 Hartree integrate/restrict (3.52128s) started
T01 << 1462333581.83819890 Hartree integrate/restrict (3.53639s) stopped
T01 >> 1462333581.83826590 Hartree integrate/restrict (3.53644s) started
T01 << 1462333581.90340495 Hartree integrate/restrict (3.60158s) stopped
T01 >> 1462333581.92672205 Atomic (254.54474s) started
T01 >> 1462333581.93647504 XC Correction (254.04215s) started
T01 << 1462333588.49610090 XC Correction (260.60177s) stopped
T01 << 1462333588.49917603 Atomic (261.11719s) stopped
T01 >> 1462333588.49927402 Communicate (143.69159s) started
T01 << 1462333594.16087604 Communicate (149.35319s) stopped
T01 << 1462333594.16089797 Hamiltonian (972.55423s) stopped
T01 >> 1462333594.16095209 LCAO eigensolver (369.11860s) started
T01 >> 1462333594.16096497 Potential matrix (11.46556s) started
T01 << 1462333594.41784906 Potential matrix (11.72244s) stopped
T01 >> 1462333594.41791201 DistributedAtomicCorrection (61.60467s) started
T01 << 1462333595.83600712 DistributedAtomicCorrection (63.02277s) stopped
T01 >> 1462333595.83606696 Distribute overlap matrix (49.60629s) started
T01 >> 1462333595.83608699 blocked summation (46.88102s) started
T01 << 1462333596.87165189 blocked summation (47.91659s) stopped
T01 >> 1462333596.87358189 Scalapack redistribute (2.64695s) started
T01 << 1462333596.93201590 Scalapack redistribute (2.70538s) stopped
T01 << 1462333596.93208003 Distribute overlap matrix (50.70230s) stopped
T01 >> 1462333596.93268299 Blacs Orbital Layouts (129.46365s) started
T01 >> 1462333596.93381190 General diagonalize (126.98278s) started
T01 << 1462333599.61430407 General diagonalize (129.66328s) stopped
T01 >> 1462333599.61434698 Redistribute coefs (0.11817s) started
T01 << 1462333599.61652088 Redistribute coefs (0.12035s) stopped
T01 >> 1462333599.61655998 Send coefs to domains (2.28086s) started
T01 << 1462333599.66601992 Send coefs to domains (2.33032s) stopped
T01 << 1462333599.66623306 Blacs Orbital Layouts (132.19720s) stopped
T01 >> 1462333599.66627502 Calculate projections (116.94059s) started
T01 << 1462333602.26310396 Calculate projections (119.53742s) stopped
T01 << 1462333602.26347303 LCAO eigensolver (377.22112s) stopped
T01 >> 1462333602.26412106 Density (89.73526s) started
T01 >> 1462333602.26413298 Pseudo density (73.90863s) started
T01 >> 1462333602.26449490 Calculate density matrix (66.39799s) started
T01 << 1462333603.73588800 Calculate density matrix (67.86939s) stopped
T01 >> 1462333603.73594594 Construct density (7.38848s) started
T01 << 1462333603.90386796 Construct density (7.55640s) stopped
T01 >> 1462333603.90589809 Symmetrize density (0.00181s) started
T01 << 1462333603.90592599 Symmetrize density (0.00184s) stopped
T01 << 1462333603.90629005 Pseudo density (75.55079s) stopped
T01 >> 1462333603.90630889 Atomic density matrices (10.48949s) started
T01 << 1462333604.14156389 Atomic density matrices (10.72475s) stopped
T01 >> 1462333604.14159608 Multipole moments (0.13990s) started
T01 << 1462333604.14517903 Multipole moments (0.14348s) stopped
T01 >> 1462333604.14520001 Normalize (0.04496s) started
T01 << 1462333604.14621806 Normalize (0.04598s) stopped
T01 >> 1462333604.14625812 Mix (5.14972s) started
T01 << 1462333604.26853299 Mix (5.27199s) stopped
T01 << 1462333604.26858091 Density (91.73972s) stopped
T01 >> 1462333604.26866293 Hamiltonian (972.55425s) started
T01 >> 1462333604.26868010 vbar (0.47918s) started
T01 << 1462333604.27677488 vbar (0.48727s) stopped
T01 >> 1462333604.27682996 XC 3D grid (443.67519s) started
T01 >> 1462333604.45444393 van der Waals (427.90569s) started
T01 >> 1462333604.49676800 semilocal (97.92977s) started
T01 << 1462333606.74054503 semilocal (100.17355s) stopped
T01 >> 1462333606.77200389 redistribute (49.81500s) started
T01 << 1462333607.15252805 redistribute (50.19552s) stopped
T01 >> 1462333607.15257692 libvdwxc nonlocal (276.88900s) started
T01 << 1462333613.45715690 libvdwxc nonlocal (283.19358s) stopped
T01 >> 1462333613.45723009 redistribute (50.19555s) started
T01 << 1462333614.22244906 redistribute (50.96077s) stopped
T01 << 1462333614.22390389 van der Waals (437.67515s) stopped
T01 << 1462333614.40869904 XC 3D grid (453.80706s) stopped
T01 >> 1462333614.40873599 Poisson (113.42409s) started
T01 << 1462333617.29907608 Poisson (116.31443s) stopped
T01 >> 1462333617.29912901 Hartree integrate/restrict (3.60162s) started
T01 << 1462333617.31412792 Hartree integrate/restrict (3.61662s) stopped
T01 >> 1462333617.31419396 Hartree integrate/restrict (3.61667s) started
T01 << 1462333617.37764406 Hartree integrate/restrict (3.68012s) stopped
T01 >> 1462333617.40103292 Atomic (261.11721s) started
T01 >> 1462333617.41083193 XC Correction (260.60179s) started
T01 << 1462333624.00530696 XC Correction (267.19627s) stopped
T01 << 1462333624.00839400 Atomic (267.72457s) stopped
T01 >> 1462333624.00849199 Communicate (149.35320s) started
T01 << 1462333629.55849409 Communicate (154.90320s) stopped
T01 << 1462333629.55852008 Hamiltonian (997.84410s) stopped
T01 >> 1462333629.55857706 LCAO eigensolver (377.22114s) started
T01 >> 1462333629.55858994 Potential matrix (11.72248s) started
T01 << 1462333629.81308699 Potential matrix (11.97697s) stopped
T01 >> 1462333629.81314993 DistributedAtomicCorrection (63.02280s) started
T01 << 1462333631.21902609 DistributedAtomicCorrection (64.42867s) stopped
T01 >> 1462333631.21908498 Distribute overlap matrix (50.70232s) started
T01 >> 1462333631.21910596 blocked summation (47.91662s) started
T01 << 1462333632.27385807 blocked summation (48.97137s) stopped
T01 >> 1462333632.27592802 Scalapack redistribute (2.70541s) started
T01 << 1462333632.33348894 Scalapack redistribute (2.76297s) stopped
T01 << 1462333632.33354998 Distribute overlap matrix (51.81678s) stopped
T01 >> 1462333632.33416009 Blacs Orbital Layouts (132.19721s) started
T01 >> 1462333632.33530998 General diagonalize (129.66331s) started
T01 << 1462333634.98893499 General diagonalize (132.31693s) stopped
T01 >> 1462333634.98897791 Redistribute coefs (0.12038s) started
T01 << 1462333634.99109912 Redistribute coefs (0.12250s) stopped
T01 >> 1462333634.99113894 Send coefs to domains (2.33036s) started
T01 << 1462333635.04001999 Send coefs to domains (2.37924s) stopped
T01 << 1462333635.04022694 Blacs Orbital Layouts (134.90328s) stopped
T01 >> 1462333635.04026890 Calculate projections (119.53746s) started
T01 << 1462333637.63886404 Calculate projections (122.13606s) stopped
T01 << 1462333637.63923597 LCAO eigensolver (385.30180s) stopped
T01 >> 1462333637.63985801 Density (91.73973s) started
T01 >> 1462333637.63987088 Pseudo density (75.55080s) started
T01 >> 1462333637.64021897 Calculate density matrix (67.86942s) started
T01 << 1462333639.10994697 Calculate density matrix (69.33915s) stopped
T01 >> 1462333639.11000490 Construct density (7.55644s) started
T01 << 1462333639.27794099 Construct density (7.72437s) stopped
T01 >> 1462333639.27995896 Symmetrize density (0.00185s) started
T01 << 1462333639.27998710 Symmetrize density (0.00188s) stopped
T01 << 1462333639.28035212 Pseudo density (77.19129s) stopped
T01 >> 1462333639.28037190 Atomic density matrices (10.72477s) started
T01 << 1462333639.51568294 Atomic density matrices (10.96008s) stopped
T01 >> 1462333639.51571393 Multipole moments (0.14349s) started
T01 << 1462333639.51933098 Multipole moments (0.14711s) stopped
T01 >> 1462333639.51935291 Normalize (0.04601s) started
T01 << 1462333639.52036095 Normalize (0.04702s) stopped
T01 >> 1462333639.52040005 Mix (5.27204s) started
T01 << 1462333639.64194489 Mix (5.39358s) stopped
T01 << 1462333639.64199400 Density (93.74187s) stopped
T01 >> 1462333639.64206100 Hamiltonian (997.84412s) started
T01 >> 1462333639.64207697 vbar (0.48730s) started
T01 << 1462333639.65089393 vbar (0.49612s) stopped
T01 >> 1462333639.65098810 XC 3D grid (453.80709s) started
T01 >> 1462333639.82992697 van der Waals (437.67522s) started
T01 >> 1462333639.87233996 semilocal (100.17361s) started
T01 << 1462333642.08553100 semilocal (102.38680s) stopped
T01 >> 1462333642.11738300 redistribute (50.96086s) started
T01 << 1462333642.51879501 redistribute (51.36227s) stopped
T01 >> 1462333642.51884198 libvdwxc nonlocal (283.19363s) started
T01 << 1462333648.80819798 libvdwxc nonlocal (289.48298s) stopped
T01 >> 1462333648.80827403 redistribute (51.36230s) started
T01 << 1462333649.56475806 redistribute (52.11878s) stopped
T01 << 1462333649.56598496 van der Waals (447.41128s) stopped
T01 << 1462333649.74692392 XC 3D grid (463.90303s) stopped
T01 >> 1462333649.74696302 Poisson (116.31447s) started
T01 << 1462333652.06724191 Poisson (118.63475s) stopped
T01 >> 1462333652.06731606 Hartree integrate/restrict (3.68015s) started
T01 << 1462333652.08230209 Hartree integrate/restrict (3.69513s) stopped
T01 >> 1462333652.08238602 Hartree integrate/restrict (3.69519s) started
T01 << 1462333652.14703703 Hartree integrate/restrict (3.75984s) stopped
T01 >> 1462333652.17099905 Atomic (267.72458s) started
T01 >> 1462333652.18085408 XC Correction (267.19629s) started
T01 << 1462333658.74466109 XC Correction (273.76010s) stopped
T01 << 1462333658.74776411 Atomic (274.30135s) stopped
T01 >> 1462333658.74785995 Communicate (154.90322s) started
T01 << 1462333664.37440896 Communicate (160.52977s) stopped
T01 << 1462333664.37443209 Hamiltonian (1022.57649s) stopped
T01 >> 1462333664.37448907 LCAO eigensolver (385.30182s) started
T01 >> 1462333664.37450194 Potential matrix (11.97701s) started
T01 << 1462333664.63023996 Potential matrix (12.23275s) stopped
T01 >> 1462333664.63030291 DistributedAtomicCorrection (64.42870s) started
T01 << 1462333666.04235792 DistributedAtomicCorrection (65.84076s) stopped
T01 >> 1462333666.04241896 Distribute overlap matrix (51.81679s) started
T01 >> 1462333666.04243994 blocked summation (48.97140s) started
T01 << 1462333667.08742309 blocked summation (50.01638s) stopped
T01 >> 1462333667.08935809 Scalapack redistribute (2.76301s) started
T01 << 1462333667.14608002 Scalapack redistribute (2.81973s) stopped
T01 << 1462333667.14614010 Distribute overlap matrix (52.92051s) stopped
T01 >> 1462333667.14672208 Blacs Orbital Layouts (134.90330s) started
T01 >> 1462333667.14794302 General diagonalize (132.31696s) started
T01 << 1462333669.79742789 General diagonalize (134.96645s) stopped
T01 >> 1462333669.79747105 Redistribute coefs (0.12253s) started
T01 << 1462333669.79976296 Redistribute coefs (0.12482s) stopped
T01 >> 1462333669.79980206 Send coefs to domains (2.37927s) started
T01 << 1462333669.84900093 Send coefs to domains (2.42847s) stopped
T01 << 1462333669.84920692 Blacs Orbital Layouts (137.60578s) stopped
T01 >> 1462333669.84925199 Calculate projections (122.13611s) started
T01 << 1462333672.44647503 Calculate projections (124.73333s) stopped
T01 << 1462333672.44685006 LCAO eigensolver (393.37418s) stopped
T01 >> 1462333672.44749188 Density (93.74188s) started
T01 >> 1462333672.44750500 Pseudo density (77.19130s) started
T01 >> 1462333672.44788194 Calculate density matrix (69.33918s) started
T01 << 1462333673.92259789 Calculate density matrix (70.81390s) stopped
T01 >> 1462333673.92266107 Construct density (7.72440s) started
T01 << 1462333674.09053898 Construct density (7.89228s) stopped
T01 >> 1462333674.09255600 Symmetrize density (0.00189s) started
T01 << 1462333674.09258389 Symmetrize density (0.00192s) stopped
T01 << 1462333674.09298205 Pseudo density (78.83678s) stopped
T01 >> 1462333674.09300089 Atomic density matrices (10.96010s) started
T01 << 1462333674.32831907 Atomic density matrices (11.19542s) stopped
T01 >> 1462333674.32835007 Multipole moments (0.14713s) started
T01 << 1462333674.33195806 Multipole moments (0.15073s) stopped
T01 >> 1462333674.33197999 Normalize (0.04705s) started
T01 << 1462333674.33298993 Normalize (0.04806s) stopped
T01 >> 1462333674.33303094 Mix (5.39363s) started
T01 << 1462333674.45521212 Mix (5.51581s) stopped
T01 << 1462333674.45525408 Density (95.74964s) stopped
T01 >> 1462333674.45532608 Hamiltonian (1022.57650s) started
T01 >> 1462333674.45534205 vbar (0.49617s) started
T01 << 1462333674.46366811 vbar (0.50450s) stopped
T01 >> 1462333674.46372390 XC 3D grid (463.90306s) started
T01 >> 1462333674.64274406 van der Waals (447.41131s) started
T01 >> 1462333674.68561506 semilocal (102.38685s) started
T01 << 1462333676.90845299 semilocal (104.60969s) stopped
T01 >> 1462333676.93952799 redistribute (52.11882s) started
T01 << 1462333677.33414102 redistribute (52.51343s) stopped
T01 >> 1462333677.33418894 libvdwxc nonlocal (289.48304s) started
T01 << 1462333683.63118505 libvdwxc nonlocal (295.78003s) stopped
T01 >> 1462333683.63123012 redistribute (52.51346s) started
T01 << 1462333684.37660193 redistribute (53.25883s) stopped
T01 << 1462333684.37766695 van der Waals (457.14624s) stopped
T01 << 1462333684.55937696 XC 3D grid (473.99871s) stopped
T01 >> 1462333684.55941606 Poisson (118.63480s) started
T01 << 1462333686.88023806 Poisson (120.95562s) stopped
T01 >> 1462333686.88031006 Hartree integrate/restrict (3.75987s) started
T01 << 1462333686.89526701 Hartree integrate/restrict (3.77483s) stopped
T01 >> 1462333686.89539909 Hartree integrate/restrict (3.77492s) started
T01 << 1462333686.95703411 Hartree integrate/restrict (3.83656s) stopped
T01 >> 1462333686.98312712 Atomic (274.30137s) started
T01 >> 1462333686.99296808 XC Correction (273.76012s) started
T01 << 1462333693.55038691 XC Correction (280.31753s) stopped
T01 << 1462333693.55345798 Atomic (280.87170s) stopped
T01 >> 1462333693.55355501 Communicate (160.52979s) started
T01 << 1462333699.15372396 Communicate (166.12996s) stopped
T01 << 1462333699.15375090 Hamiltonian (1047.27492s) stopped
T01 >> 1462333699.15381289 LCAO eigensolver (393.37420s) started
T01 >> 1462333699.15382695 Potential matrix (12.23278s) started
T01 << 1462333699.40833306 Potential matrix (12.48729s) stopped
T01 >> 1462333699.40839505 DistributedAtomicCorrection (65.84079s) started
T01 << 1462333700.80352092 DistributedAtomicCorrection (67.23591s) stopped
T01 >> 1462333700.80358195 Distribute overlap matrix (52.92052s) started
T01 >> 1462333700.80360293 blocked summation (50.01642s) started
T01 << 1462333701.86586404 blocked summation (51.07868s) stopped
T01 >> 1462333701.86791801 Scalapack redistribute (2.81976s) started
T01 << 1462333701.92560792 Scalapack redistribute (2.87745s) stopped
T01 << 1462333701.92567301 Distribute overlap matrix (54.04262s) stopped
T01 >> 1462333701.92627811 Blacs Orbital Layouts (137.60580s) started
T01 >> 1462333701.92740989 General diagonalize (134.96648s) started
T01 << 1462333704.59695601 General diagonalize (137.63602s) stopped
T01 >> 1462333704.59699702 Redistribute coefs (0.12485s) started
T01 << 1462333704.59914207 Redistribute coefs (0.12700s) stopped
T01 >> 1462333704.59917998 Send coefs to domains (2.42850s) started
T01 << 1462333704.64766908 Send coefs to domains (2.47699s) stopped
T01 << 1462333704.64787507 Blacs Orbital Layouts (140.32740s) stopped
T01 >> 1462333704.64791489 Calculate projections (124.73338s) started
T01 << 1462333707.24635291 Calculate projections (127.33181s) stopped
T01 << 1462333707.24672699 LCAO eigensolver (401.46711s) stopped
T01 >> 1462333707.24734211 Density (95.74966s) started
T01 >> 1462333707.24735403 Pseudo density (78.83679s) started
T01 >> 1462333707.24768901 Calculate density matrix (70.81393s) started
T01 << 1462333708.71742201 Calculate density matrix (72.28367s) stopped
T01 >> 1462333708.71748209 Construct density (7.89231s) started
T01 << 1462333708.88547707 Construct density (8.06031s) stopped
T01 >> 1462333708.88748908 Symmetrize density (0.00193s) started
T01 << 1462333708.88751793 Symmetrize density (0.00196s) stopped
T01 << 1462333708.88788700 Pseudo density (80.47732s) stopped
T01 >> 1462333708.88790703 Atomic density matrices (11.19544s) started
T01 << 1462333709.12345910 Atomic density matrices (11.43100s) stopped
T01 >> 1462333709.12349010 Multipole moments (0.15075s) started
T01 << 1462333709.12710690 Multipole moments (0.15437s) stopped
T01 >> 1462333709.12712789 Normalize (0.04809s) started
T01 << 1462333709.12814212 Normalize (0.04911s) stopped
T01 >> 1462333709.12818289 Mix (5.51585s) started
T01 << 1462333709.24988890 Mix (5.63756s) stopped
T01 << 1462333709.24995089 Density (97.75227s) stopped
T01 >> 1462333709.25001907 Hamiltonian (1047.27493s) started
T01 >> 1462333709.25003505 vbar (0.50453s) started
T01 << 1462333709.25833797 vbar (0.51283s) stopped
T01 >> 1462333709.25844908 XC 3D grid (473.99874s) started
T01 >> 1462333709.43813300 van der Waals (457.14628s) started
T01 >> 1462333709.48003793 semilocal (104.60977s) started
T01 << 1462333711.70770097 semilocal (106.83743s) stopped
T01 >> 1462333711.73908591 redistribute (53.25887s) started
T01 << 1462333712.13480997 redistribute (53.65460s) stopped
T01 >> 1462333712.13485694 libvdwxc nonlocal (295.78006s) started
T01 << 1462333718.43096304 libvdwxc nonlocal (302.07617s) stopped
T01 >> 1462333718.43103695 redistribute (53.65463s) started
T01 << 1462333719.19274998 redistribute (54.41634s) stopped
T01 << 1462333719.19390798 van der Waals (466.90205s) stopped
T01 << 1462333719.37363100 XC 3D grid (484.11392s) stopped
T01 >> 1462333719.37367201 Poisson (120.95568s) started
T01 << 1462333721.69330907 Poisson (123.27532s) stopped
T01 >> 1462333721.69337201 Hartree integrate/restrict (3.83660s) started
T01 << 1462333721.70859289 Hartree integrate/restrict (3.85182s) stopped
T01 >> 1462333721.70868802 Hartree integrate/restrict (3.85189s) started
T01 << 1462333721.77209496 Hartree integrate/restrict (3.91529s) stopped
T01 >> 1462333721.79632497 Atomic (280.87172s) started
T01 >> 1462333721.80652308 XC Correction (280.31756s) started
T01 << 1462333728.49239302 XC Correction (287.00343s) stopped
T01 << 1462333728.49548411 Atomic (287.57087s) stopped
T01 >> 1462333728.49557996 Communicate (166.12997s) started
T01 << 1462333734.04796290 Communicate (171.68236s) stopped
T01 << 1462333734.04798603 Hamiltonian (1072.07290s) stopped
T01 >> 1462333734.04804111 LCAO eigensolver (401.46713s) started
T01 >> 1462333734.04805398 Potential matrix (12.48732s) started
T01 << 1462333734.30242896 Potential matrix (12.74170s) stopped
T01 >> 1462333734.30249310 DistributedAtomicCorrection (67.23594s) started
T01 << 1462333735.69988108 DistributedAtomicCorrection (68.63333s) stopped
T01 >> 1462333735.69994092 Distribute overlap matrix (54.04263s) started
T01 >> 1462333735.69996309 blocked summation (51.07871s) started
T01 << 1462333736.75975800 blocked summation (52.13850s) stopped
T01 >> 1462333736.76138902 Scalapack redistribute (2.87748s) started
T01 << 1462333736.81895304 Scalapack redistribute (2.93505s) stopped
T01 << 1462333736.81903005 Distribute overlap matrix (55.16172s) stopped
T01 >> 1462333736.81961012 Blacs Orbital Layouts (140.32741s) started
T01 >> 1462333736.82074904 General diagonalize (137.63605s) started
T01 << 1462333739.47269392 General diagonalize (140.28800s) stopped
T01 >> 1462333739.47273707 Redistribute coefs (0.12703s) started
T01 << 1462333739.47552204 Redistribute coefs (0.12981s) stopped
T01 >> 1462333739.47556090 Send coefs to domains (2.47703s) started
T01 << 1462333739.52451301 Send coefs to domains (2.52598s) stopped
T01 << 1462333739.52472901 Blacs Orbital Layouts (143.03253s) stopped
T01 >> 1462333739.52476501 Calculate projections (127.33186s) started
T01 << 1462333742.12186599 Calculate projections (129.92897s) stopped
T01 << 1462333742.12209010 LCAO eigensolver (409.54118s) stopped
T01 >> 1462333742.12287593 Density (97.75228s) started
T01 >> 1462333742.12288809 Pseudo density (80.47734s) started
T01 >> 1462333742.12325191 Calculate density matrix (72.28370s) started
T01 << 1462333743.58689690 Calculate density matrix (73.74735s) stopped
T01 >> 1462333743.58695889 Construct density (8.06034s) started
T01 << 1462333743.75513792 Construct density (8.22852s) stopped
T01 >> 1462333743.75727296 Symmetrize density (0.00197s) started
T01 << 1462333743.75730205 Symmetrize density (0.00200s) stopped
T01 << 1462333743.75767708 Pseudo density (82.11213s) stopped
T01 >> 1462333743.75769901 Atomic density matrices (11.43102s) started
T01 << 1462333743.99258089 Atomic density matrices (11.66590s) stopped
T01 >> 1462333743.99261189 Multipole moments (0.15438s) started
T01 << 1462333743.99617696 Multipole moments (0.15795s) stopped
T01 >> 1462333743.99619794 Normalize (0.04914s) started
T01 << 1462333743.99721909 Normalize (0.05016s) stopped
T01 >> 1462333743.99725795 Mix (5.63761s) started
T01 << 1462333744.11875010 Mix (5.75911s) stopped
T01 << 1462333744.11879992 Density (99.74820s) stopped
T01 >> 1462333744.11888504 Hamiltonian (1072.07291s) started
T01 >> 1462333744.11890197 vbar (0.51290s) started
T01 << 1462333744.12724590 vbar (0.52124s) stopped
T01 >> 1462333744.12730289 XC 3D grid (484.11395s) started
T01 >> 1462333744.30239511 van der Waals (466.90212s) started
T01 >> 1462333744.34499502 semilocal (106.83748s) started
T01 << 1462333746.56207299 semilocal (109.05455s) stopped
T01 >> 1462333746.59177589 redistribute (54.41640s) started
T01 << 1462333747.00354290 redistribute (54.82817s) stopped
T01 >> 1462333747.00358891 libvdwxc nonlocal (302.07622s) started
T01 << 1462333753.36078906 libvdwxc nonlocal (308.43342s) stopped
T01 >> 1462333753.36086202 redistribute (54.82820s) started
T01 << 1462333754.11448193 redistribute (55.58182s) stopped
T01 << 1462333754.11575508 van der Waals (476.71548s) stopped
T01 << 1462333754.29395604 XC 3D grid (494.28061s) stopped
T01 >> 1462333754.29401112 Poisson (123.27537s) started
T01 << 1462333756.61121106 Poisson (125.59257s) stopped
T01 >> 1462333756.61128807 Hartree integrate/restrict (3.91534s) started
T01 << 1462333756.62627006 Hartree integrate/restrict (3.93032s) stopped
T01 >> 1462333756.62637711 Hartree integrate/restrict (3.93039s) started
T01 << 1462333756.69120407 Hartree integrate/restrict (3.99522s) stopped
T01 >> 1462333756.71177602 Atomic (287.57089s) started
T01 >> 1462333756.72166204 XC Correction (287.00345s) started
T01 << 1462333763.36017895 XC Correction (293.64196s) stopped
T01 << 1462333763.36326790 Atomic (294.22238s) stopped
T01 >> 1462333763.36336589 Communicate (171.68237s) started
T01 << 1462333769.01813602 Communicate (177.33714s) stopped
T01 << 1462333769.01816106 Hamiltonian (1096.97219s) stopped
T01 >> 1462333769.01821709 LCAO eigensolver (409.54119s) started
T01 >> 1462333769.01823092 Potential matrix (12.74173s) started
T01 << 1462333769.27330899 Potential matrix (12.99681s) stopped
T01 >> 1462333769.27337003 DistributedAtomicCorrection (68.63336s) started
T01 << 1462333770.65419888 DistributedAtomicCorrection (70.01419s) stopped
T01 >> 1462333770.65425706 Distribute overlap matrix (55.16173s) started
T01 >> 1462333770.65427804 blocked summation (52.13853s) started
T01 << 1462333771.72771001 blocked summation (53.21196s) stopped
T01 >> 1462333771.72927690 Scalapack redistribute (2.93508s) started
T01 << 1462333771.78772807 Scalapack redistribute (2.99353s) stopped
T01 << 1462333771.78779793 Distribute overlap matrix (56.29527s) stopped
T01 >> 1462333771.78840303 Blacs Orbital Layouts (143.03255s) started
T01 >> 1462333771.78953290 General diagonalize (140.28803s) started
T01 << 1462333774.45771790 General diagonalize (142.95621s) stopped
T01 >> 1462333774.45776105 Redistribute coefs (0.12984s) started
T01 << 1462333774.46062303 Redistribute coefs (0.13270s) stopped
T01 >> 1462333774.46066189 Send coefs to domains (2.52602s) started
T01 << 1462333774.51007700 Send coefs to domains (2.57543s) stopped
T01 << 1462333774.51027608 Blacs Orbital Layouts (145.75442s) stopped
T01 >> 1462333774.51031494 Calculate projections (129.92901s) started
T01 << 1462333777.10872793 Calculate projections (132.52742s) stopped
T01 << 1462333777.10895109 LCAO eigensolver (417.63193s) stopped
T01 >> 1462333777.10973310 Density (99.74822s) started
T01 >> 1462333777.10974503 Pseudo density (82.11214s) started
T01 >> 1462333777.11011505 Calculate density matrix (73.74739s) started
T01 << 1462333778.57286692 Calculate density matrix (75.21014s) stopped
T01 >> 1462333778.57293105 Construct density (8.22855s) started
T01 << 1462333778.74113989 Construct density (8.39676s) stopped
T01 >> 1462333778.74329400 Symmetrize density (0.00201s) started
T01 << 1462333778.74332404 Symmetrize density (0.00204s) stopped
T01 << 1462333778.74369311 Pseudo density (83.74609s) stopped
T01 >> 1462333778.74371290 Atomic density matrices (11.66592s) started
T01 << 1462333778.97919703 Atomic density matrices (11.90141s) stopped
T01 >> 1462333778.97922802 Multipole moments (0.15796s) started
T01 << 1462333778.98275590 Multipole moments (0.16149s) stopped
T01 >> 1462333778.98277807 Normalize (0.05019s) started
T01 << 1462333778.98378396 Normalize (0.05119s) stopped
T01 >> 1462333778.98382711 Mix (5.75915s) started
T01 << 1462333779.10538697 Mix (5.88071s) stopped
T01 << 1462333779.10545802 Density (101.74394s) stopped
T01 >> 1462333779.10553288 Hamiltonian (1096.97220s) started
T01 >> 1462333779.10555005 vbar (0.52128s) started
T01 << 1462333779.11379099 vbar (0.52952s) stopped
T01 >> 1462333779.11389303 XC 3D grid (494.28065s) started
T01 >> 1462333779.29462910 van der Waals (476.71552s) started
T01 >> 1462333779.33677793 semilocal (109.05461s) started
T01 << 1462333781.55826306 semilocal (111.27609s) stopped
T01 >> 1462333781.58946896 redistribute (55.58187s) started
T01 << 1462333781.98094702 redistribute (55.97335s) stopped
T01 >> 1462333781.98099494 libvdwxc nonlocal (308.43347s) started
T01 << 1462333788.30657291 libvdwxc nonlocal (314.75905s) stopped
T01 >> 1462333788.30663395 redistribute (55.97338s) started
T01 << 1462333789.05522203 redistribute (56.72197s) stopped
T01 << 1462333789.05660391 van der Waals (486.47749s) stopped
T01 << 1462333789.24118495 XC 3D grid (504.40794s) stopped
T01 >> 1462333789.24122405 Poisson (125.59262s) started
T01 << 1462333791.56904101 Poisson (127.92044s) stopped
T01 >> 1462333791.56911397 Hartree integrate/restrict (3.99525s) started
T01 << 1462333791.58433604 Hartree integrate/restrict (4.01047s) stopped
T01 >> 1462333791.58443189 Hartree integrate/restrict (4.01054s) started
T01 << 1462333791.64943099 Hartree integrate/restrict (4.07554s) stopped
T01 >> 1462333791.67256689 Atomic (294.22240s) started
T01 >> 1462333791.68253493 XC Correction (293.64198s) started
T01 << 1462333798.28552699 XC Correction (300.24498s) stopped
T01 << 1462333798.28860402 Atomic (300.83843s) stopped
T01 >> 1462333798.28870392 Communicate (177.33716s) started
T01 << 1462333803.99432993 Communicate (183.04278s) stopped
T01 << 1462333803.99435496 Hamiltonian (1121.86102s) stopped
T01 >> 1462333803.99441600 LCAO eigensolver (417.63194s) started
T01 >> 1462333803.99442911 Potential matrix (12.99685s) started
T01 << 1462333804.24866605 Potential matrix (13.25109s) stopped
T01 >> 1462333804.24872589 DistributedAtomicCorrection (70.01421s) started
T01 << 1462333805.63576388 DistributedAtomicCorrection (71.40125s) stopped
T01 >> 1462333805.63582301 Distribute overlap matrix (56.29528s) started
T01 >> 1462333805.63584399 blocked summation (53.21199s) started
T01 << 1462333806.70303011 blocked summation (54.27918s) stopped
T01 >> 1462333806.70463610 Scalapack redistribute (2.99356s) started
T01 << 1462333806.76187801 Scalapack redistribute (3.05080s) stopped
T01 << 1462333806.76194811 Distribute overlap matrix (57.42140s) stopped
T01 >> 1462333806.76252890 Blacs Orbital Layouts (145.75444s) started
T01 >> 1462333806.76366305 General diagonalize (142.95625s) started
T01 << 1462333809.45447803 General diagonalize (145.64706s) stopped
T01 >> 1462333809.45452189 Redistribute coefs (0.13273s) started
T01 << 1462333809.45744109 Redistribute coefs (0.13565s) stopped
T01 >> 1462333809.45747995 Send coefs to domains (2.57547s) started
T01 << 1462333809.50590611 Send coefs to domains (2.62389s) stopped
T01 << 1462333809.50610709 Blacs Orbital Layouts (148.49802s) stopped
T01 >> 1462333809.50614500 Calculate projections (132.52747s) started
T01 << 1462333812.10301709 Calculate projections (135.12435s) stopped
T01 << 1462333812.10324192 LCAO eigensolver (425.74077s) stopped
T01 >> 1462333812.10403991 Density (101.74396s) started
T01 >> 1462333812.10410690 Pseudo density (83.74611s) started
T01 >> 1462333812.10449910 Calculate density matrix (75.21018s) started
T01 << 1462333813.56858206 Calculate density matrix (76.67426s) stopped
T01 >> 1462333813.56864810 Construct density (8.39679s) started
T01 << 1462333813.73693991 Construct density (8.56508s) stopped
T01 >> 1462333813.73909402 Symmetrize density (0.00205s) started
T01 << 1462333813.73912406 Symmetrize density (0.00208s) stopped
T01 << 1462333813.73948908 Pseudo density (85.38149s) stopped
T01 >> 1462333813.73950911 Atomic density matrices (11.90143s) started
T01 << 1462333813.97448492 Atomic density matrices (12.13641s) stopped
T01 >> 1462333813.97451591 Multipole moments (0.16150s) started
T01 << 1462333813.97806311 Multipole moments (0.16505s) stopped
T01 >> 1462333813.97808504 Normalize (0.05123s) started
T01 << 1462333813.97910810 Normalize (0.05225s) stopped
T01 >> 1462333813.97914910 Mix (5.88078s) started
T01 << 1462333814.10024905 Mix (6.00188s) stopped
T01 << 1462333814.10029292 Density (103.74021s) stopped
T01 >> 1462333814.10038400 Hamiltonian (1121.86104s) started
T01 >> 1462333814.10040212 vbar (0.52958s) started
T01 << 1462333814.10897589 vbar (0.53815s) stopped
T01 >> 1462333814.10903192 XC 3D grid (504.40797s) started
T01 >> 1462333814.28941894 van der Waals (486.47755s) started
T01 >> 1462333814.33129597 semilocal (111.27616s) started
T01 << 1462333816.56154799 semilocal (113.50641s) stopped
T01 >> 1462333816.59279299 redistribute (56.72205s) started
T01 << 1462333816.98171091 redistribute (57.11097s) stopped
T01 >> 1462333816.98175907 libvdwxc nonlocal (314.75908s) started
T01 << 1462333823.25018811 libvdwxc nonlocal (321.02751s) stopped
T01 >> 1462333823.25026298 redistribute (57.11100s) started
T01 << 1462333824.00521898 redistribute (57.86596s) stopped
T01 << 1462333824.00658989 van der Waals (496.19472s) stopped
T01 << 1462333824.18219495 XC 3D grid (514.48113s) stopped
T01 >> 1462333824.18223190 Poisson (127.92050s) started
T01 << 1462333825.92519903 Poisson (129.66346s) stopped
T01 >> 1462333825.92526889 Hartree integrate/restrict (4.07557s) started
T01 << 1462333825.94011497 Hartree integrate/restrict (4.09041s) stopped
T01 >> 1462333825.94017506 Hartree integrate/restrict (4.09045s) started
T01 << 1462333826.00520110 Hartree integrate/restrict (4.15548s) stopped
T01 >> 1462333826.02677488 Atomic (300.83845s) started
T01 >> 1462333826.03670001 XC Correction (300.24500s) started
T01 << 1462333832.68143106 XC Correction (306.88973s) stopped
T01 << 1462333832.68455195 Atomic (307.49623s) stopped
T01 >> 1462333832.68465209 Communicate (183.04280s) started
T01 << 1462333838.30343795 Communicate (188.66158s) stopped
T01 << 1462333838.30346394 Hamiltonian (1146.06412s) stopped
T01 >> 1462333838.30352592 LCAO eigensolver (425.74079s) started
T01 >> 1462333838.30353999 Potential matrix (13.25112s) started
T01 << 1462333838.55794811 Potential matrix (13.50553s) stopped
T01 >> 1462333838.55801010 DistributedAtomicCorrection (71.40128s) started
T01 << 1462333839.94635010 DistributedAtomicCorrection (72.78962s) stopped
T01 >> 1462333839.94641089 Distribute overlap matrix (57.42142s) started
T01 >> 1462333839.94643307 blocked summation (54.27921s) started
T01 << 1462333841.01011896 blocked summation (55.34290s) stopped
T01 >> 1462333841.01170802 Scalapack redistribute (3.05083s) started
T01 << 1462333841.06977391 Scalapack redistribute (3.10890s) stopped
T01 << 1462333841.06984496 Distribute overlap matrix (58.54485s) stopped
T01 >> 1462333841.07042599 Blacs Orbital Layouts (148.49803s) started
T01 >> 1462333841.07156205 General diagonalize (145.64709s) started
T01 << 1462333843.72901893 General diagonalize (148.30455s) stopped
T01 >> 1462333843.72906208 Redistribute coefs (0.13568s) started
T01 << 1462333843.73183990 Redistribute coefs (0.13846s) stopped
T01 >> 1462333843.73187709 Send coefs to domains (2.62392s) started
T01 << 1462333843.77992201 Send coefs to domains (2.67197s) stopped
T01 << 1462333843.78012490 Blacs Orbital Layouts (151.20773s) stopped
T01 >> 1462333843.78016305 Calculate projections (135.12439s) started
T01 << 1462333846.37716508 Calculate projections (137.72139s) stopped
T01 << 1462333846.37738490 LCAO eigensolver (433.81464s) stopped
T01 >> 1462333846.37817311 Density (103.74023s) started
T01 >> 1462333846.37818503 Pseudo density (85.38150s) started
T01 >> 1462333846.37855101 Calculate density matrix (76.67430s) started
T01 << 1462333847.83938289 Calculate density matrix (78.13513s) stopped
T01 >> 1462333847.83944011 Construct density (8.56512s) started
T01 << 1462333848.00771904 Construct density (8.73340s) stopped
T01 >> 1462333848.00984192 Symmetrize density (0.00209s) started
T01 << 1462333848.00986910 Symmetrize density (0.00212s) stopped
T01 << 1462333848.01023412 Pseudo density (87.01355s) stopped
T01 >> 1462333848.01025295 Atomic density matrices (12.13643s) started
T01 << 1462333848.24513698 Atomic density matrices (12.37131s) stopped
T01 >> 1462333848.24516797 Multipole moments (0.16506s) started
T01 << 1462333848.24875808 Multipole moments (0.16865s) stopped
T01 >> 1462333848.24878001 Normalize (0.05228s) started
T01 << 1462333848.24979496 Normalize (0.05330s) stopped
T01 >> 1462333848.24983692 Mix (6.00193s) started
T01 << 1462333848.37187696 Mix (6.12397s) stopped
T01 << 1462333848.37195492 Density (105.73401s) stopped
T01 >> 1462333848.37203693 Hamiltonian (1146.06413s) started
T01 >> 1462333848.37205291 vbar (0.53818s) started
T01 << 1462333848.38034105 vbar (0.54647s) stopped
T01 >> 1462333848.38043690 XC 3D grid (514.48116s) started
T01 >> 1462333848.55989504 van der Waals (496.19479s) started
T01 >> 1462333848.60295606 semilocal (113.50651s) started
T01 << 1462333850.82676101 semilocal (115.73031s) stopped
T01 >> 1462333850.85706496 redistribute (57.86605s) started
T01 << 1462333851.25467300 redistribute (58.26366s) stopped
T01 >> 1462333851.25471997 libvdwxc nonlocal (321.02756s) started
T01 << 1462333857.60337996 libvdwxc nonlocal (327.37622s) stopped
T01 >> 1462333857.60343194 redistribute (58.26369s) started
T01 << 1462333858.35393000 redistribute (59.01418s) stopped
T01 << 1462333858.35551095 van der Waals (505.99041s) stopped
T01 << 1462333858.53124809 XC 3D grid (524.63197s) stopped
T01 >> 1462333858.53128910 Poisson (129.66351s) started
T01 << 1462333860.28189397 Poisson (131.41412s) stopped
T01 >> 1462333860.28198409 Hartree integrate/restrict (4.15551s) started
T01 << 1462333860.29704189 Hartree integrate/restrict (4.17057s) stopped
T01 >> 1462333860.29712296 Hartree integrate/restrict (4.17063s) started
T01 << 1462333860.36124492 Hartree integrate/restrict (4.23475s) stopped
T01 >> 1462333860.38449192 Atomic (307.49625s) started
T01 >> 1462333860.39444709 XC Correction (306.88975s) started
T01 << 1462333867.02616096 XC Correction (313.52146s) stopped
T01 << 1462333867.02929902 Atomic (314.14105s) stopped
T01 >> 1462333867.02939796 Communicate (188.66160s) started
T01 << 1462333872.68171191 Communicate (194.31392s) stopped
T01 << 1462333872.68173504 Hamiltonian (1170.37383s) stopped
T01 >> 1462333872.68178892 LCAO eigensolver (433.81466s) started
T01 >> 1462333872.68180203 Potential matrix (13.50556s) started
T01 << 1462333872.93638706 Potential matrix (13.76015s) stopped
T01 >> 1462333872.93644905 DistributedAtomicCorrection (72.78965s) started
T01 << 1462333874.31330109 DistributedAtomicCorrection (74.16650s) stopped
T01 >> 1462333874.31336093 Distribute overlap matrix (58.54486s) started
T01 >> 1462333874.31338191 blocked summation (55.34293s) started
T01 << 1462333875.38999295 blocked summation (56.41954s) stopped
T01 >> 1462333875.39162993 Scalapack redistribute (3.10893s) started
T01 << 1462333875.44897103 Scalapack redistribute (3.16627s) stopped
T01 << 1462333875.44904494 Distribute overlap matrix (59.68055s) stopped
T01 >> 1462333875.44964910 Blacs Orbital Layouts (151.20775s) started
T01 >> 1462333875.45078206 General diagonalize (148.30458s) started
T01 << 1462333878.10787892 General diagonalize (150.96168s) stopped
T01 >> 1462333878.10792303 Redistribute coefs (0.13849s) started
T01 << 1462333878.11084700 Redistribute coefs (0.14141s) stopped
T01 >> 1462333878.11088395 Send coefs to domains (2.67200s) started
T01 << 1462333878.15806103 Send coefs to domains (2.71917s) stopped
T01 << 1462333878.15826702 Blacs Orbital Layouts (153.91637s) stopped
T01 >> 1462333878.15830493 Calculate projections (137.72144s) started
T01 << 1462333880.75528598 Calculate projections (140.31842s) stopped
T01 << 1462333880.75551510 LCAO eigensolver (441.88839s) stopped
T01 >> 1462333880.75628304 Density (105.73402s) started
T01 >> 1462333880.75629497 Pseudo density (87.01357s) started
T01 >> 1462333880.75664210 Calculate density matrix (78.13516s) started
T01 << 1462333882.21563005 Calculate density matrix (79.59415s) stopped
T01 >> 1462333882.21569109 Construct density (8.73343s) started
T01 << 1462333882.38391209 Construct density (8.90165s) stopped
T01 >> 1462333882.38604903 Symmetrize density (0.00213s) started
T01 << 1462333882.38607693 Symmetrize density (0.00216s) stopped
T01 << 1462333882.38644195 Pseudo density (88.64371s) stopped
T01 >> 1462333882.38646197 Atomic density matrices (12.37134s) started
T01 << 1462333882.62130308 Atomic density matrices (12.60618s) stopped
T01 >> 1462333882.62133408 Multipole moments (0.16867s) started
T01 << 1462333882.62489295 Multipole moments (0.17223s) stopped
T01 >> 1462333882.62491488 Normalize (0.05333s) started
T01 << 1462333882.62592697 Normalize (0.05434s) stopped
T01 >> 1462333882.62596798 Mix (6.12404s) started
T01 << 1462333882.74770403 Mix (6.24577s) stopped
T01 << 1462333882.74773908 Density (107.72548s) stopped
T01 >> 1462333882.74780893 Hamiltonian (1170.37384s) started
T01 >> 1462333882.74782610 vbar (0.54653s) started
T01 << 1462333882.75630999 vbar (0.55501s) stopped
T01 >> 1462333882.75638604 XC 3D grid (524.63200s) started
T01 >> 1462333882.93617511 van der Waals (505.99046s) started
T01 >> 1462333882.97841096 semilocal (115.73040s) started
T01 << 1462333885.18573809 semilocal (117.93773s) stopped
T01 >> 1462333885.21663308 redistribute (59.01423s) started
T01 << 1462333885.62394190 redistribute (59.42154s) stopped
T01 >> 1462333885.62399006 libvdwxc nonlocal (327.37626s) started
T01 << 1462333891.91080689 libvdwxc nonlocal (333.66308s) stopped
T01 >> 1462333891.91088104 redistribute (59.42157s) started
T01 << 1462333892.67562509 redistribute (60.18632s) stopped
T01 << 1462333892.67660499 van der Waals (515.73089s) stopped
T01 << 1462333892.85374308 XC 3D grid (534.72936s) stopped
T01 >> 1462333892.85378289 Poisson (131.41418s) started
T01 << 1462333895.17129207 Poisson (133.73169s) stopped
T01 >> 1462333895.17135096 Hartree integrate/restrict (4.23477s) started
T01 << 1462333895.18643093 Hartree integrate/restrict (4.24985s) stopped
T01 >> 1462333895.18651891 Hartree integrate/restrict (4.24991s) started
T01 << 1462333895.25300598 Hartree integrate/restrict (4.31640s) stopped
T01 >> 1462333895.27316999 Atomic (314.14107s) started
T01 >> 1462333895.28320503 XC Correction (313.52149s) started
T01 << 1462333901.95192790 XC Correction (320.19021s) stopped
T01 << 1462333901.95501590 Atomic (320.82292s) stopped
T01 >> 1462333901.95511103 Communicate (194.31393s) started
T01 << 1462333907.35303211 Communicate (199.71185s) stopped
T01 << 1462333907.35305691 Hamiltonian (1194.97909s) stopped
T01 >> 1462333907.35311389 LCAO eigensolver (441.88841s) started
T01 >> 1462333907.35312796 Potential matrix (13.76018s) started
T01 << 1462333907.60885906 Potential matrix (14.01591s) stopped
T01 >> 1462333907.60891891 DistributedAtomicCorrection (74.16653s) started
T01 << 1462333909.01092410 DistributedAtomicCorrection (75.56853s) stopped
T01 >> 1462333909.01098299 Distribute overlap matrix (59.68056s) started
T01 >> 1462333909.01100302 blocked summation (56.41957s) started
T01 << 1462333910.04259801 blocked summation (57.45117s) stopped
T01 >> 1462333910.04417491 Scalapack redistribute (3.16631s) started
T01 << 1462333910.10374689 Scalapack redistribute (3.22588s) stopped
T01 << 1462333910.10384488 Distribute overlap matrix (60.77342s) stopped
T01 >> 1462333910.10445809 Blacs Orbital Layouts (153.91638s) started
T01 >> 1462333910.10558605 General diagonalize (150.96171s) started
T01 << 1462333912.78906393 General diagonalize (153.64519s) stopped
T01 >> 1462333912.78910708 Redistribute coefs (0.14144s) started
T01 << 1462333912.79189110 Redistribute coefs (0.14423s) stopped
T01 >> 1462333912.79192996 Send coefs to domains (2.71920s) started
T01 << 1462333912.84056997 Send coefs to domains (2.76784s) stopped
T01 << 1462333912.84077501 Blacs Orbital Layouts (156.65270s) stopped
T01 >> 1462333912.84081292 Calculate projections (140.31846s) started
T01 << 1462333915.43746090 Calculate projections (142.91511s) stopped
T01 << 1462333915.43769097 LCAO eigensolver (449.97298s) stopped
T01 >> 1462333915.43847394 Density (107.72549s) started
T01 >> 1462333915.43848610 Pseudo density (88.64373s) started
T01 >> 1462333915.43884492 Calculate density matrix (79.59418s) started
T01 << 1462333916.90488791 Calculate density matrix (81.06023s) stopped
T01 >> 1462333916.90494800 Construct density (8.90168s) started
T01 << 1462333917.07471299 Construct density (9.07144s) stopped
T01 >> 1462333917.07682395 Symmetrize density (0.00217s) started
T01 << 1462333917.07685304 Symmetrize density (0.00220s) stopped
T01 << 1462333917.07721996 Pseudo density (90.28246s) stopped
T01 >> 1462333917.07723904 Atomic density matrices (12.60620s) started
T01 << 1462333917.31035995 Atomic density matrices (12.83932s) stopped
T01 >> 1462333917.31039190 Multipole moments (0.17225s) started
T01 << 1462333917.31395197 Multipole moments (0.17581s) stopped
T01 >> 1462333917.31397390 Normalize (0.05437s) started
T01 << 1462333917.31498194 Normalize (0.05538s) stopped
T01 >> 1462333917.31502104 Mix (6.24581s) started
T01 << 1462333917.43640494 Mix (6.36719s) stopped
T01 << 1462333917.43645597 Density (109.72348s) stopped
T01 >> 1462333917.43652797 Hamiltonian (1194.97910s) started
T01 >> 1462333917.43654490 vbar (0.55506s) started
T01 << 1462333917.44498205 vbar (0.56349s) stopped
T01 >> 1462333917.44506693 XC 3D grid (534.72939s) started
T01 >> 1462333917.62809992 van der Waals (515.73092s) started
T01 >> 1462333917.66897202 semilocal (117.93780s) started
T01 << 1462333919.90868211 semilocal (120.17751s) stopped
T01 >> 1462333919.94040990 redistribute (60.18636s) started
T01 << 1462333920.32195902 redistribute (60.56791s) stopped
T01 >> 1462333920.32200789 libvdwxc nonlocal (333.66313s) started
T01 << 1462333926.62509990 libvdwxc nonlocal (339.96622s) stopped
T01 >> 1462333926.62517309 redistribute (60.56794s) started
T01 << 1462333927.37965703 redistribute (61.32243s) stopped
T01 << 1462333927.38088012 van der Waals (525.48370s) stopped
T01 << 1462333927.55920792 XC 3D grid (544.84353s) stopped
T01 >> 1462333927.55926204 Poisson (133.73174s) started
T01 << 1462333929.30806708 Poisson (135.48054s) stopped
T01 >> 1462333929.30816197 Hartree integrate/restrict (4.31643s) started
T01 << 1462333929.32295799 Hartree integrate/restrict (4.33123s) stopped
T01 >> 1462333929.32304096 Hartree integrate/restrict (4.33128s) started
T01 << 1462333929.38728595 Hartree integrate/restrict (4.39552s) stopped
T01 >> 1462333929.41117096 Atomic (320.82293s) started
T01 >> 1462333929.42098188 XC Correction (320.19023s) started
T01 << 1462333935.99433398 XC Correction (326.76358s) stopped
T01 << 1462333935.99743795 Atomic (327.40920s) stopped
T01 >> 1462333935.99753690 Communicate (199.71187s) started
T01 << 1462333941.53436708 Communicate (205.24870s) stopped
T01 << 1462333941.53439307 Hamiltonian (1219.07696s) stopped
T01 >> 1462333941.53444910 LCAO eigensolver (449.97300s) started
T01 >> 1462333941.53446198 Potential matrix (14.01594s) started
T01 << 1462333941.79045296 Potential matrix (14.27194s) stopped
T01 >> 1462333941.79051495 DistributedAtomicCorrection (75.56856s) started
T01 << 1462333943.19164395 DistributedAtomicCorrection (76.96969s) stopped
T01 >> 1462333943.19170308 Distribute overlap matrix (60.77343s) started
T01 >> 1462333943.19172311 blocked summation (57.45120s) started
T01 << 1462333944.24490094 blocked summation (58.50438s) stopped
T01 >> 1462333944.24642611 Scalapack redistribute (3.22591s) started
T01 << 1462333944.30394292 Scalapack redistribute (3.28343s) stopped
T01 << 1462333944.30400395 Distribute overlap matrix (61.88573s) stopped
T01 >> 1462333944.30459404 Blacs Orbital Layouts (156.65272s) started
T01 >> 1462333944.30574393 General diagonalize (153.64522s) started
T01 << 1462333946.93034196 General diagonalize (156.26982s) stopped
T01 >> 1462333946.93038511 Redistribute coefs (0.14426s) started
T01 << 1462333946.93317604 Redistribute coefs (0.14705s) stopped
T01 >> 1462333946.93321395 Send coefs to domains (2.76788s) started
T01 << 1462333946.98207307 Send coefs to domains (2.81674s) stopped
T01 << 1462333946.98227191 Blacs Orbital Layouts (159.33040s) stopped
T01 >> 1462333946.98230910 Calculate projections (142.91515s) started
T01 << 1462333949.58085489 Calculate projections (145.51370s) stopped
T01 << 1462333949.58109093 LCAO eigensolver (458.01964s) stopped
T01 >> 1462333949.58184195 Density (109.72349s) started
T01 >> 1462333949.58185410 Pseudo density (90.28248s) started
T01 >> 1462333949.58219790 Calculate density matrix (81.06026s) started
T01 << 1462333951.04316497 Calculate density matrix (82.52123s) stopped
T01 >> 1462333951.04322505 Construct density (9.07148s) started
T01 << 1462333951.21141505 Construct density (9.23967s) stopped
T01 >> 1462333951.21354008 Symmetrize density (0.00221s) started
T01 << 1462333951.21356797 Symmetrize density (0.00224s) stopped
T01 << 1462333951.21393895 Pseudo density (91.91456s) stopped
T01 >> 1462333951.21397996 Atomic density matrices (12.83934s) started
T01 << 1462333951.44903708 Atomic density matrices (13.07440s) stopped
T01 >> 1462333951.44906807 Multipole moments (0.17582s) started
T01 << 1462333951.45267606 Multipole moments (0.17943s) stopped
T01 >> 1462333951.45269704 Normalize (0.05541s) started
T01 << 1462333951.45371389 Normalize (0.05643s) stopped
T01 >> 1462333951.45375705 Mix (6.36724s) started
T01 << 1462333951.57505202 Mix (6.48854s) stopped
T01 << 1462333951.57513690 Density (111.71679s) stopped
T01 >> 1462333951.57524300 Hamiltonian (1219.07698s) started
T01 >> 1462333951.57526302 vbar (0.56354s) started
T01 << 1462333951.58445096 vbar (0.57273s) stopped
T01 >> 1462333951.58454108 XC 3D grid (544.84358s) started
T01 >> 1462333951.76268697 van der Waals (525.48375s) started
T01 >> 1462333951.80567002 semilocal (120.17761s) started
T01 << 1462333954.03628707 semilocal (122.40822s) stopped
T01 >> 1462333954.06874490 redistribute (61.32251s) started
T01 << 1462333954.45577908 redistribute (61.70954s) stopped
T01 >> 1462333954.45582700 libvdwxc nonlocal (339.96627s) started
T01 << 1462333960.74953604 libvdwxc nonlocal (346.25998s) stopped
T01 >> 1462333960.74958205 redistribute (61.70958s) started
T01 << 1462333961.50198698 redistribute (62.46198s) stopped
T01 << 1462333961.50318408 van der Waals (535.22425s) stopped
T01 << 1462333961.68021703 XC 3D grid (554.93925s) stopped
T01 >> 1462333961.68025708 Poisson (135.48062s) started
T01 << 1462333963.42459512 Poisson (137.22496s) stopped
T01 >> 1462333963.42467093 Hartree integrate/restrict (4.39556s) started
T01 << 1462333963.43965793 Hartree integrate/restrict (4.41055s) stopped
T01 >> 1462333963.43974209 Hartree integrate/restrict (4.41061s) started
T01 << 1462333963.50228810 Hartree integrate/restrict (4.47315s) stopped
T01 >> 1462333963.52700996 Atomic (327.40922s) started
T01 >> 1462333963.53714800 XC Correction (326.76360s) started
T01 << 1462333970.23383498 XC Correction (333.46029s) stopped
T01 << 1462333970.23695111 Atomic (334.11916s) stopped
T01 >> 1462333970.23704791 Communicate (205.24872s) started
T01 << 1462333975.81700706 Communicate (210.82868s) stopped
T01 << 1462333975.81702995 Hamiltonian (1243.31876s) stopped
T01 >> 1462333975.81708598 LCAO eigensolver (458.01966s) started
T01 >> 1462333975.81709909 Potential matrix (14.27197s) started
T01 << 1462333976.07139111 Potential matrix (14.52626s) stopped
T01 >> 1462333976.07145190 DistributedAtomicCorrection (76.96972s) started
T01 << 1462333977.45191193 DistributedAtomicCorrection (78.35018s) stopped
T01 >> 1462333977.45197105 Distribute overlap matrix (61.88574s) started
T01 >> 1462333977.45199203 blocked summation (58.50441s) started
T01 << 1462333978.52354908 blocked summation (59.57597s) stopped
T01 >> 1462333978.52514911 Scalapack redistribute (3.28346s) started
T01 << 1462333978.58339405 Scalapack redistribute (3.34170s) stopped
T01 << 1462333978.58346891 Distribute overlap matrix (63.01724s) stopped
T01 >> 1462333978.58406305 Blacs Orbital Layouts (159.33041s) started
T01 >> 1462333978.58519912 General diagonalize (156.26985s) started
T01 << 1462333981.23960400 General diagonalize (158.92425s) stopped
T01 >> 1462333981.23965096 Redistribute coefs (0.14708s) started
T01 << 1462333981.24252605 Redistribute coefs (0.14995s) stopped
T01 >> 1462333981.24256492 Send coefs to domains (2.81677s) started
T01 << 1462333981.29205894 Send coefs to domains (2.86626s) stopped
T01 << 1462333981.29225707 Blacs Orbital Layouts (162.03861s) stopped
T01 >> 1462333981.29229498 Calculate projections (145.51375s) started
T01 << 1462333983.88942003 Calculate projections (148.11088s) stopped
T01 << 1462333983.88965106 LCAO eigensolver (466.09222s) stopped
T01 >> 1462333983.89042807 Density (111.71680s) started
T01 >> 1462333983.89043999 Pseudo density (91.91460s) started
T01 >> 1462333983.89080310 Calculate density matrix (82.52127s) started
T01 << 1462333985.35655689 Calculate density matrix (83.98702s) stopped
T01 >> 1462333985.35661602 Construct density (9.23970s) started
T01 << 1462333985.52484202 Construct density (9.40793s) stopped
T01 >> 1462333985.52698112 Symmetrize density (0.00225s) started
T01 << 1462333985.52700901 Symmetrize density (0.00228s) stopped
T01 << 1462333985.52737403 Pseudo density (93.55153s) stopped
T01 >> 1462333985.52739406 Atomic density matrices (13.07442s) started
T01 << 1462333985.76210189 Atomic density matrices (13.30913s) stopped
T01 >> 1462333985.76213193 Multipole moments (0.17944s) started
T01 << 1462333985.76576591 Multipole moments (0.18308s) stopped
T01 >> 1462333985.76578808 Normalize (0.05646s) started
T01 << 1462333985.76679111 Normalize (0.05746s) stopped
T01 >> 1462333985.76683402 Mix (6.48862s) started
T01 << 1462333985.88900805 Mix (6.61079s) stopped
T01 << 1462333985.88908005 Density (113.71545s) stopped
T01 >> 1462333985.88915610 Hamiltonian (1243.31877s) started
T01 >> 1462333985.88917398 vbar (0.57278s) started
T01 << 1462333985.89741302 vbar (0.58102s) stopped
T01 >> 1462333985.89751697 XC 3D grid (554.93928s) started
T01 >> 1462333986.07663012 van der Waals (535.22430s) started
T01 >> 1462333986.11908388 semilocal (122.40834s) started
T01 << 1462333988.32610106 semilocal (124.61536s) stopped
T01 >> 1462333988.35862589 redistribute (62.46202s) started
T01 << 1462333988.76004291 redistribute (62.86344s) stopped
T01 >> 1462333988.76009107 libvdwxc nonlocal (346.26001s) started
T01 << 1462333995.03947091 libvdwxc nonlocal (352.53939s) stopped
T01 >> 1462333995.03951693 redistribute (62.86347s) started
T01 << 1462333995.79314399 redistribute (63.61709s) stopped
T01 << 1462333995.79424095 van der Waals (544.94191s) stopped
T01 << 1462333995.97490907 XC 3D grid (565.01668s) stopped
T01 >> 1462333995.97495198 Poisson (137.22501s) started
T01 << 1462333997.72665691 Poisson (138.97672s) stopped
T01 >> 1462333997.72672796 Hartree integrate/restrict (4.47318s) started
T01 << 1462333997.74171901 Hartree integrate/restrict (4.48817s) stopped
T01 >> 1462333997.74178195 Hartree integrate/restrict (4.48821s) started
T01 << 1462333997.80455899 Hartree integrate/restrict (4.55099s) stopped
T01 >> 1462333997.82950306 Atomic (334.11918s) started
T01 >> 1462333997.83964610 XC Correction (333.46031s) started
T01 << 1462334004.54433990 XC Correction (340.16500s) stopped
T01 << 1462334004.54744411 Atomic (340.83712s) stopped
T01 >> 1462334004.54754400 Communicate (210.82869s) started
T01 << 1462334010.03353405 Communicate (216.31468s) stopped
T01 << 1462334010.03355908 Hamiltonian (1267.46318s) stopped
T01 >> 1462334010.03361511 LCAO eigensolver (466.09224s) started
T01 >> 1462334010.03363204 Potential matrix (14.52630s) started
T01 << 1462334010.28939295 Potential matrix (14.78206s) stopped
T01 >> 1462334010.28945708 DistributedAtomicCorrection (78.35021s) started
T01 << 1462334011.66876411 DistributedAtomicCorrection (79.72952s) stopped
T01 >> 1462334011.66882300 Distribute overlap matrix (63.01725s) started
T01 >> 1462334011.66884303 blocked summation (59.57599s) started
T01 << 1462334012.72568798 blocked summation (60.63284s) stopped
T01 >> 1462334012.72721910 Scalapack redistribute (3.34173s) started
T01 << 1462334012.78527093 Scalapack redistribute (3.39979s) stopped
T01 << 1462334012.78534389 Distribute overlap matrix (64.13377s) stopped
T01 >> 1462334012.78595805 Blacs Orbital Layouts (162.03862s) started
T01 >> 1462334012.78708792 General diagonalize (158.92429s) started
T01 << 1462334015.44414091 General diagonalize (161.58134s) stopped
T01 >> 1462334015.44418502 Redistribute coefs (0.14998s) started
T01 << 1462334015.44695902 Redistribute coefs (0.15276s) stopped
T01 >> 1462334015.44699693 Send coefs to domains (2.86630s) started
T01 << 1462334015.49649310 Send coefs to domains (2.91579s) stopped
T01 << 1462334015.49669504 Blacs Orbital Layouts (164.74936s) stopped
T01 >> 1462334015.49673295 Calculate projections (148.11092s) started
T01 << 1462334018.09496808 Calculate projections (150.70916s) stopped
T01 << 1462334018.09519696 LCAO eigensolver (474.15382s) stopped
T01 >> 1462334018.09594989 Density (113.71547s) started
T01 >> 1462334018.09598589 Pseudo density (93.55155s) started
T01 >> 1462334018.09633303 Calculate density matrix (83.98706s) started
T01 << 1462334019.56650996 Calculate density matrix (85.45723s) stopped
T01 >> 1462334019.56656790 Construct density (9.40796s) started
T01 << 1462334019.73479199 Construct density (9.57618s) stopped
T01 >> 1462334019.73694110 Symmetrize density (0.00229s) started
T01 << 1462334019.73696995 Symmetrize density (0.00232s) stopped
T01 << 1462334019.73733592 Pseudo density (95.19290s) stopped
T01 >> 1462334019.73735595 Atomic density matrices (13.30916s) started
T01 << 1462334019.97221994 Atomic density matrices (13.54402s) stopped
T01 >> 1462334019.97225094 Multipole moments (0.18309s) started
T01 << 1462334019.97583890 Multipole moments (0.18668s) stopped
T01 >> 1462334019.97586107 Normalize (0.05750s) started
T01 << 1462334019.97686601 Normalize (0.05850s) stopped
T01 >> 1462334019.97691298 Mix (6.61086s) started
T01 << 1462334020.09811401 Mix (6.73206s) stopped
T01 << 1462334020.09816504 Density (115.71768s) stopped
T01 >> 1462334020.09825492 Hamiltonian (1267.46319s) started
T01 >> 1462334020.09827209 vbar (0.58108s) started
T01 << 1462334020.10711694 vbar (0.58993s) stopped
T01 >> 1462334020.10717106 XC 3D grid (565.01671s) started
T01 >> 1462334020.29068708 van der Waals (544.94195s) started
T01 >> 1462334020.33363295 semilocal (124.61548s) started
T01 << 1462334022.53337097 semilocal (126.81521s) stopped
T01 >> 1462334022.56491899 redistribute (63.61713s) started
T01 << 1462334022.97773695 redistribute (64.02995s) stopped
T01 >> 1462334022.97778797 libvdwxc nonlocal (352.53942s) started
T01 << 1462334029.27344298 libvdwxc nonlocal (358.83508s) stopped
T01 >> 1462334029.27349710 redistribute (64.02998s) started
T01 << 1462334030.02772903 redistribute (64.78422s) stopped
T01 << 1462334030.02883697 van der Waals (554.68010s) stopped
T01 << 1462334030.20471907 XC 3D grid (575.11425s) stopped
T01 >> 1462334030.20476007 Poisson (138.97678s) started
T01 << 1462334031.95145607 Poisson (140.72347s) stopped
T01 >> 1462334031.95152593 Hartree integrate/restrict (4.55104s) started
T01 << 1462334031.96627998 Hartree integrate/restrict (4.56579s) stopped
T01 >> 1462334031.96638799 Hartree integrate/restrict (4.56586s) started
T01 << 1462334032.03129101 Hartree integrate/restrict (4.63077s) stopped
T01 >> 1462334032.05335307 Atomic (340.83714s) started
T01 >> 1462334032.06349611 XC Correction (340.16502s) started
T01 << 1462334038.74616599 XC Correction (346.84769s) stopped
T01 << 1462334038.74929690 Atomic (347.53308s) stopped
T01 >> 1462334038.74939394 Communicate (216.31470s) started
T01 << 1462334044.26437306 Communicate (221.82968s) stopped
T01 << 1462334044.26439595 Hamiltonian (1291.62933s) stopped
T01 >> 1462334044.26445103 LCAO eigensolver (474.15384s) started
T01 >> 1462334044.26446509 Potential matrix (14.78209s) started
T01 << 1462334044.51797700 Potential matrix (15.03560s) stopped
T01 >> 1462334044.51803708 DistributedAtomicCorrection (79.72954s) started
T01 << 1462334045.90017009 DistributedAtomicCorrection (81.11168s) stopped
T01 >> 1462334045.90022898 Distribute overlap matrix (64.13378s) started
T01 >> 1462334045.90024996 blocked summation (60.63287s) started
T01 << 1462334046.97403407 blocked summation (61.70665s) stopped
T01 >> 1462334046.97551990 Scalapack redistribute (3.39982s) started
T01 << 1462334047.03452301 Scalapack redistribute (3.45882s) stopped
T01 << 1462334047.03463793 Distribute overlap matrix (65.26819s) stopped
T01 >> 1462334047.03523993 Blacs Orbital Layouts (164.74938s) started
T01 >> 1462334047.03636909 General diagonalize (161.58137s) started
T01 << 1462334049.72181392 General diagonalize (164.26682s) stopped
T01 >> 1462334049.72185612 Redistribute coefs (0.15279s) started
T01 << 1462334049.72458601 Redistribute coefs (0.15552s) stopped
T01 >> 1462334049.72462702 Send coefs to domains (2.91582s) started
T01 << 1462334049.77530289 Send coefs to domains (2.96650s) stopped
T01 << 1462334049.77550006 Blacs Orbital Layouts (167.48964s) stopped
T01 >> 1462334049.77554297 Calculate projections (150.70921s) started
T01 << 1462334052.37678289 Calculate projections (153.31045s) stopped
T01 << 1462334052.37701607 LCAO eigensolver (482.26641s) stopped
T01 >> 1462334052.37770391 Density (115.71770s) started
T01 >> 1462334052.37771606 Pseudo density (95.19291s) started
T01 >> 1462334052.37806702 Calculate density matrix (85.45727s) started
T01 << 1462334053.85020089 Calculate density matrix (86.92940s) stopped
T01 >> 1462334053.85025597 Construct density (9.57622s) started
T01 << 1462334054.01809096 Construct density (9.74405s) stopped
T01 >> 1462334054.02010202 Symmetrize density (0.00233s) started
T01 << 1462334054.02013111 Symmetrize density (0.00236s) stopped
T01 << 1462334054.02049804 Pseudo density (96.83569s) stopped
T01 >> 1462334054.02051711 Atomic density matrices (13.54404s) started
T01 << 1462334054.25642109 Atomic density matrices (13.77995s) stopped
T01 >> 1462334054.25645089 Multipole moments (0.18669s) started
T01 << 1462334054.26002312 Multipole moments (0.19027s) stopped
T01 >> 1462334054.26004601 Normalize (0.05854s) started
T01 << 1462334054.26105905 Normalize (0.05955s) stopped
T01 >> 1462334054.26110196 Mix (6.73211s) started
T01 << 1462334054.38240409 Mix (6.85341s) stopped
T01 << 1462334054.38244390 Density (117.72244s) stopped
T01 >> 1462334054.38250804 Hamiltonian (1291.62934s) started
T01 >> 1462334054.38252401 vbar (0.58996s) started
T01 << 1462334054.39105701 vbar (0.59849s) stopped
T01 >> 1462334054.39116311 XC 3D grid (575.11429s) started
T01 >> 1462334054.57020593 van der Waals (554.68014s) started
T01 >> 1462334054.61253905 semilocal (126.81531s) started
T01 << 1462334056.82440710 semilocal (129.02718s) stopped
T01 >> 1462334056.85754895 redistribute (64.78427s) started
T01 << 1462334057.26925111 redistribute (65.19597s) stopped
T01 >> 1462334057.26929688 libvdwxc nonlocal (358.83511s) started
T01 << 1462334063.57796907 libvdwxc nonlocal (365.14378s) stopped
T01 >> 1462334063.57801509 redistribute (65.19600s) started
T01 << 1462334064.33221602 redistribute (65.95020s) stopped
T01 << 1462334064.33341408 van der Waals (564.44335s) stopped
T01 << 1462334064.51301908 XC 3D grid (585.23614s) stopped
T01 >> 1462334064.51307106 Poisson (140.72352s) started
T01 << 1462334066.26228595 Poisson (142.47274s) stopped
T01 >> 1462334066.26236296 Hartree integrate/restrict (4.63079s) started
T01 << 1462334066.27747297 Hartree integrate/restrict (4.64590s) stopped
T01 >> 1462334066.27756596 Hartree integrate/restrict (4.64597s) started
T01 << 1462334066.34268308 Hartree integrate/restrict (4.71109s) stopped
T01 >> 1462334066.36563110 Atomic (347.53310s) started
T01 >> 1462334066.37575293 XC Correction (346.84772s) started
T01 << 1462334073.06354499 XC Correction (353.53551s) stopped
T01 << 1462334073.06667900 Atomic (354.23414s) stopped
T01 >> 1462334073.06677508 Communicate (221.82969s) started
T01 << 1462334078.44131804 Communicate (227.20423s) stopped
T01 << 1462334078.44134307 Hamiltonian (1315.68818s) stopped
T01 >> 1462334078.44139910 LCAO eigensolver (482.26642s) started
T01 >> 1462334078.44141197 Potential matrix (15.03564s) started
T01 << 1462334078.69770408 Potential matrix (15.29193s) stopped
T01 >> 1462334078.69776392 DistributedAtomicCorrection (81.11170s) started
T01 << 1462334080.07592797 DistributedAtomicCorrection (82.48987s) stopped
T01 >> 1462334080.07598805 Distribute overlap matrix (65.26821s) started
T01 >> 1462334080.07600808 blocked summation (61.70668s) started
T01 << 1462334081.15138507 blocked summation (62.78206s) stopped
T01 >> 1462334081.15289688 Scalapack redistribute (3.45885s) started
T01 << 1462334081.21043992 Scalapack redistribute (3.51640s) stopped
T01 << 1462334081.21051502 Distribute overlap matrix (66.40273s) stopped
T01 >> 1462334081.21112800 Blacs Orbital Layouts (167.48966s) started
T01 >> 1462334081.21226096 General diagonalize (164.26685s) started
T01 << 1462334083.85900903 General diagonalize (166.91360s) stopped
T01 >> 1462334083.85905290 Redistribute coefs (0.15555s) started
T01 << 1462334083.86191201 Redistribute coefs (0.15841s) stopped
T01 >> 1462334083.86196399 Send coefs to domains (2.96653s) started
T01 << 1462334083.91107392 Send coefs to domains (3.01564s) stopped
T01 << 1462334083.91128302 Blacs Orbital Layouts (170.18981s) stopped
T01 >> 1462334083.91132498 Calculate projections (153.31050s) started
T01 << 1462334086.51318789 Calculate projections (155.91236s) stopped
T01 << 1462334086.51342392 LCAO eigensolver (490.33845s) stopped
T01 >> 1462334086.51429200 Density (117.72245s) started
T01 >> 1462334086.51430511 Pseudo density (96.83571s) started
T01 >> 1462334086.51469398 Calculate density matrix (86.92943s) started
T01 << 1462334087.97308803 Calculate density matrix (88.38783s) stopped
T01 >> 1462334087.97314906 Construct density (9.74408s) started
T01 << 1462334088.14142108 Construct density (9.91235s) stopped
T01 >> 1462334088.14356089 Symmetrize density (0.00237s) started
T01 << 1462334088.14358997 Symmetrize density (0.00240s) stopped
T01 << 1462334088.14395690 Pseudo density (98.46536s) stopped
T01 >> 1462334088.14397693 Atomic density matrices (13.77997s) started
T01 << 1462334088.37905097 Atomic density matrices (14.01504s) stopped
T01 >> 1462334088.37908292 Multipole moments (0.19028s) started
T01 << 1462334088.38267708 Multipole moments (0.19388s) stopped
T01 >> 1462334088.38269901 Normalize (0.05959s) started
T01 << 1462334088.38370609 Normalize (0.06059s) stopped
T01 >> 1462334088.38374996 Mix (6.85345s) started
T01 << 1462334088.50481296 Mix (6.97451s) stopped
T01 << 1462334088.50485206 Density (119.71301s) stopped
T01 >> 1462334088.50492692 Hamiltonian (1315.68819s) started
T01 >> 1462334088.50494289 vbar (0.59855s) started
T01 << 1462334088.51365209 vbar (0.60726s) stopped
T01 >> 1462334088.51373506 XC 3D grid (585.23618s) started
T01 >> 1462334088.69341397 van der Waals (564.44340s) started
T01 >> 1462334088.73531699 semilocal (129.02727s) started
T01 << 1462334090.95412397 semilocal (131.24607s) stopped
T01 >> 1462334090.98506808 redistribute (65.95026s) started
T01 << 1462334091.38080406 redistribute (66.34600s) stopped
T01 >> 1462334091.38085008 libvdwxc nonlocal (365.14381s) started
T01 << 1462334097.68102193 libvdwxc nonlocal (371.44399s) stopped
T01 >> 1462334097.68106890 redistribute (66.34603s) started
T01 << 1462334098.43550205 redistribute (67.10046s) stopped
T01 << 1462334098.43680692 van der Waals (574.18679s) stopped
T01 << 1462334098.61712098 XC 3D grid (595.33957s) stopped
T01 >> 1462334098.61716199 Poisson (142.47280s) started
T01 << 1462334100.36679101 Poisson (144.22243s) stopped
T01 >> 1462334100.36685896 Hartree integrate/restrict (4.71111s) started
T01 << 1462334100.38191795 Hartree integrate/restrict (4.72617s) stopped
T01 >> 1462334100.38198590 Hartree integrate/restrict (4.72622s) started
T01 << 1462334100.44693708 Hartree integrate/restrict (4.79117s) stopped
T01 >> 1462334100.46802998 Atomic (354.23416s) started
T01 >> 1462334100.47792792 XC Correction (353.53553s) started
T01 << 1462334107.10459399 XC Correction (360.16219s) stopped
T01 << 1462334107.10777807 Atomic (360.87391s) stopped
T01 >> 1462334107.10787702 Communicate (227.20425s) started
T01 << 1462334112.64269400 Communicate (232.73907s) stopped
T01 << 1462334112.64271688 Hamiltonian (1339.82598s) stopped
T01 >> 1462334112.64277291 LCAO eigensolver (490.33847s) started
T01 >> 1462334112.64278603 Potential matrix (15.29196s) started
T01 << 1462334112.89682293 Potential matrix (15.54600s) stopped
T01 >> 1462334112.89688396 DistributedAtomicCorrection (82.48990s) started
T01 << 1462334114.26841903 DistributedAtomicCorrection (83.86143s) stopped
T01 >> 1462334114.26847911 Distribute overlap matrix (66.40274s) started
T01 >> 1462334114.26850009 blocked summation (62.78209s) started
T01 << 1462334115.35172296 blocked summation (63.86532s) stopped
T01 >> 1462334115.35377693 Scalapack redistribute (3.51643s) started
T01 << 1462334115.41007209 Scalapack redistribute (3.57272s) stopped
T01 << 1462334115.41012812 Distribute overlap matrix (67.54439s) stopped
T01 >> 1462334115.41074395 Blacs Orbital Layouts (170.18983s) started
T01 >> 1462334115.41188097 General diagonalize (166.91363s) started
T01 << 1462334118.09161711 General diagonalize (169.59337s) stopped
T01 >> 1462334118.09166288 Redistribute coefs (0.15845s) started
T01 << 1462334118.09386802 Redistribute coefs (0.16066s) stopped
T01 >> 1462334118.09390712 Send coefs to domains (3.01568s) started
T01 << 1462334118.14377308 Send coefs to domains (3.06554s) stopped
T01 << 1462334118.14397311 Blacs Orbital Layouts (172.92306s) stopped
T01 >> 1462334118.14401007 Calculate projections (155.91241s) started
T01 << 1462334120.74573302 Calculate projections (158.51413s) stopped
T01 << 1462334120.74610400 LCAO eigensolver (498.44180s) stopped
T01 >> 1462334120.74680996 Density (119.71303s) started
T01 >> 1462334120.74682212 Pseudo density (98.46537s) started
T01 >> 1462334120.74716997 Calculate density matrix (88.38786s) started
T01 << 1462334122.21546102 Calculate density matrix (89.85616s) stopped
T01 >> 1462334122.21551991 Construct density (9.91238s) started
T01 << 1462334122.38369894 Construct density (10.08056s) stopped
T01 >> 1462334122.38571310 Symmetrize density (0.00241s) started
T01 << 1462334122.38574100 Symmetrize density (0.00244s) stopped
T01 << 1462334122.38610911 Pseudo density (100.10466s) stopped
T01 >> 1462334122.38612795 Atomic density matrices (14.01507s) started
T01 << 1462334122.62152696 Atomic density matrices (14.25047s) stopped
T01 >> 1462334122.62155795 Multipole moments (0.19389s) started
T01 << 1462334122.62516594 Multipole moments (0.19750s) stopped
T01 >> 1462334122.62518907 Normalize (0.06063s) started
T01 << 1462334122.62618089 Normalize (0.06162s) stopped
T01 >> 1462334122.62623000 Mix (6.97455s) started
T01 << 1462334122.74739790 Mix (7.09572s) stopped
T01 << 1462334122.74743390 Density (121.71365s) stopped
T01 >> 1462334122.74750209 Hamiltonian (1339.82599s) started
T01 >> 1462334122.74751902 vbar (0.60731s) started
T01 << 1462334122.75635600 vbar (0.61615s) stopped
T01 >> 1462334122.75645089 XC 3D grid (595.33960s) started
T01 >> 1462334122.93223691 van der Waals (574.18685s) started
T01 >> 1462334122.97411990 semilocal (131.24616s) started
T01 << 1462334125.17497706 semilocal (133.44702s) stopped
T01 >> 1462334125.20697808 redistribute (67.10050s) started
T01 << 1462334125.60917711 redistribute (67.50270s) stopped
T01 >> 1462334125.60922289 libvdwxc nonlocal (371.44402s) started
T01 << 1462334131.89754796 libvdwxc nonlocal (377.73234s) stopped
T01 >> 1462334131.89759398 redistribute (67.50273s) started
T01 << 1462334132.65032196 redistribute (68.25546s) stopped
T01 << 1462334132.65194297 van der Waals (583.90655s) stopped
T01 << 1462334132.83120608 XC 3D grid (605.41436s) stopped
T01 >> 1462334132.83125591 Poisson (144.22248s) started
T01 << 1462334134.57752490 Poisson (145.96875s) stopped
T01 >> 1462334134.57759094 Hartree integrate/restrict (4.79120s) started
T01 << 1462334134.59263706 Hartree integrate/restrict (4.80625s) stopped
T01 >> 1462334134.59274602 Hartree integrate/restrict (4.80632s) started
T01 << 1462334134.65762496 Hartree integrate/restrict (4.87120s) stopped
T01 >> 1462334134.67981291 Atomic (360.87392s) started
T01 >> 1462334134.68963909 XC Correction (360.16222s) started
T01 << 1462334141.34589100 XC Correction (366.81848s) stopped
T01 << 1462334141.34900808 Atomic (367.54312s) stopped
T01 >> 1462334141.34910893 Communicate (232.73908s) started
T01 << 1462334146.80876899 Communicate (238.19874s) stopped
T01 << 1462334146.80879092 Hamiltonian (1363.88728s) stopped
T01 >> 1462334146.80884600 LCAO eigensolver (498.44181s) started
T01 >> 1462334146.80885911 Potential matrix (15.54603s) started
T01 << 1462334147.06676698 Potential matrix (15.80394s) stopped
T01 >> 1462334147.06683302 DistributedAtomicCorrection (83.86146s) started
T01 << 1462334148.45117092 DistributedAtomicCorrection (85.24580s) stopped
T01 >> 1462334148.45123005 Distribute overlap matrix (67.54440s) started
T01 >> 1462334148.45125103 blocked summation (63.86535s) started
T01 << 1462334149.51692295 blocked summation (64.93102s) stopped
T01 >> 1462334149.51856303 Scalapack redistribute (3.57275s) started
T01 << 1462334149.57588196 Scalapack redistribute (3.63007s) stopped
T01 << 1462334149.57595205 Distribute overlap matrix (68.66913s) stopped
T01 >> 1462334149.57654691 Blacs Orbital Layouts (172.92307s) started
T01 >> 1462334149.57768202 General diagonalize (169.59340s) started
T01 << 1462334152.25119209 General diagonalize (172.26691s) stopped
T01 >> 1462334152.25123596 Redistribute coefs (0.16069s) started
T01 << 1462334152.25402188 Redistribute coefs (0.16347s) stopped
T01 >> 1462334152.25406003 Send coefs to domains (3.06557s) started
T01 << 1462334152.30294609 Send coefs to domains (3.11446s) stopped
T01 << 1462334152.30316091 Blacs Orbital Layouts (175.64969s) stopped
T01 >> 1462334152.30320001 Calculate projections (158.51418s) started
T01 << 1462334154.89985800 Calculate projections (161.11084s) stopped
T01 << 1462334154.90008712 LCAO eigensolver (506.53306s) stopped
T01 >> 1462334154.90085411 Density (121.71367s) started
T01 >> 1462334154.90086699 Pseudo density (100.10467s) started
T01 >> 1462334154.90121388 Calculate density matrix (89.85619s) started
T01 << 1462334156.36601210 Calculate density matrix (91.32099s) stopped
T01 >> 1462334156.36606789 Construct density (10.08060s) started
T01 << 1462334156.53390288 Construct density (10.24843s) stopped
T01 >> 1462334156.53605008 Symmetrize density (0.00245s) started
T01 << 1462334156.53607798 Symmetrize density (0.00248s) stopped
T01 << 1462334156.53644395 Pseudo density (101.74025s) stopped
T01 >> 1462334156.53646302 Atomic density matrices (14.25049s) started
T01 << 1462334156.77174306 Atomic density matrices (14.48577s) stopped
T01 >> 1462334156.77177405 Multipole moments (0.19752s) started
T01 << 1462334156.77535200 Multipole moments (0.20109s) stopped
T01 >> 1462334156.77537394 Normalize (0.06166s) started
T01 << 1462334156.77638698 Normalize (0.06267s) stopped
T01 >> 1462334156.77642608 Mix (7.09575s) started
T01 << 1462334156.89802003 Mix (7.21734s) stopped
T01 << 1462334156.89806104 Density (123.71087s) stopped
T01 >> 1462334156.89814401 Hamiltonian (1363.88729s) started
T01 >> 1462334156.89815998 vbar (0.61620s) started
T01 << 1462334156.90718102 vbar (0.62522s) stopped
T01 >> 1462334156.90728092 XC 3D grid (605.41440s) started
T01 >> 1462334157.08609200 van der Waals (583.90660s) started
T01 >> 1462334157.12845492 semilocal (133.44709s) started
T01 << 1462334159.35501409 semilocal (135.67365s) stopped
T01 >> 1462334159.38624811 redistribute (68.25554s) started
T01 << 1462334159.77600598 redistribute (68.64530s) stopped
T01 >> 1462334159.77605295 libvdwxc nonlocal (377.73237s) started
T01 << 1462334166.07507896 libvdwxc nonlocal (384.03140s) stopped
T01 >> 1462334166.07512498 redistribute (68.64533s) started
T01 << 1462334166.82903695 redistribute (69.39924s) stopped
T01 << 1462334166.83049893 van der Waals (593.65101s) stopped
T01 << 1462334167.01305294 XC 3D grid (615.52017s) stopped
T01 >> 1462334167.01309109 Poisson (145.96880s) started
T01 << 1462334168.76163292 Poisson (147.71734s) stopped
T01 >> 1462334168.76168108 Hartree integrate/restrict (4.87123s) started
T01 << 1462334168.77679396 Hartree integrate/restrict (4.88634s) stopped
T01 >> 1462334168.77689099 Hartree integrate/restrict (4.88641s) started
T01 << 1462334168.84140491 Hartree integrate/restrict (4.95093s) stopped
T01 >> 1462334168.86310506 Atomic (367.54314s) started
T01 >> 1462334168.87294793 XC Correction (366.81850s) started
T01 << 1462334175.42217708 XC Correction (373.36772s) stopped
T01 << 1462334175.42526889 Atomic (374.10530s) stopped
T01 >> 1462334175.42536497 Communicate (238.19876s) started
T01 << 1462334180.85776711 Communicate (243.63116s) stopped
T01 << 1462334180.85780501 Hamiltonian (1387.84695s) stopped
T01 >> 1462334180.85790396 LCAO eigensolver (506.53307s) started
T01 >> 1462334180.85791802 Potential matrix (15.80398s) started
T01 << 1462334181.11309290 Potential matrix (16.05915s) stopped
T01 >> 1462334181.11315298 DistributedAtomicCorrection (85.24583s) started
T01 << 1462334182.52099800 DistributedAtomicCorrection (86.65367s) stopped
T01 >> 1462334182.52105594 Distribute overlap matrix (68.66914s) started
T01 >> 1462334182.52107596 blocked summation (64.93105s) started
T01 << 1462334183.58547592 blocked summation (65.99545s) stopped
T01 >> 1462334183.58751011 Scalapack redistribute (3.63011s) started
T01 << 1462334183.64310002 Scalapack redistribute (3.68570s) stopped
T01 << 1462334183.64316201 Distribute overlap matrix (69.79124s) stopped
T01 >> 1462334183.64377403 Blacs Orbital Layouts (175.64970s) started
T01 >> 1462334183.64490199 General diagonalize (172.26694s) started
T01 << 1462334186.31865692 General diagonalize (174.94070s) stopped
T01 >> 1462334186.31870008 Redistribute coefs (0.16350s) started
T01 << 1462334186.32098198 Redistribute coefs (0.16578s) stopped
T01 >> 1462334186.32102108 Send coefs to domains (3.11449s) started
T01 << 1462334186.37212896 Send coefs to domains (3.16560s) stopped
T01 << 1462334186.37232089 Blacs Orbital Layouts (178.37825s) stopped
T01 >> 1462334186.37235904 Calculate projections (161.11088s) started
T01 << 1462334188.97074699 Calculate projections (163.70927s) stopped
T01 << 1462334188.97109795 LCAO eigensolver (514.64627s) stopped
T01 >> 1462334188.97172499 Density (123.71089s) started
T01 >> 1462334188.97173810 Pseudo density (101.74027s) started
T01 >> 1462334188.97208405 Calculate density matrix (91.32102s) started
T01 << 1462334190.45834589 Calculate density matrix (92.80728s) stopped
T01 >> 1462334190.45840406 Construct density (10.24846s) started
T01 << 1462334190.62662792 Construct density (10.41669s) stopped
T01 >> 1462334190.62865806 Symmetrize density (0.00249s) started
T01 << 1462334190.62868690 Symmetrize density (0.00252s) stopped
T01 << 1462334190.62905312 Pseudo density (103.39758s) stopped
T01 >> 1462334190.62907290 Atomic density matrices (14.48579s) started
T01 << 1462334190.86462593 Atomic density matrices (14.72134s) stopped
T01 >> 1462334190.86465693 Multipole moments (0.20111s) started
T01 << 1462334190.86822891 Multipole moments (0.20468s) stopped
T01 >> 1462334190.86825204 Normalize (0.06270s) started
T01 << 1462334190.86926198 Normalize (0.06371s) stopped
T01 >> 1462334190.86930108 Mix (7.21738s) started
T01 << 1462334190.99094701 Mix (7.33903s) stopped
T01 << 1462334190.99101400 Density (125.73017s) stopped
T01 >> 1462334190.99108195 Hamiltonian (1387.84696s) started
T01 >> 1462334190.99110007 vbar (0.62528s) started
T01 << 1462334190.99948597 vbar (0.63367s) stopped
T01 >> 1462334190.99957800 XC 3D grid (615.52020s) started
T01 >> 1462334191.18235898 van der Waals (593.65105s) started
T01 >> 1462334191.22416592 semilocal (135.67372s) started
T01 << 1462334193.45324612 semilocal (137.90280s) stopped
T01 >> 1462334193.48446012 redistribute (69.39929s) started
T01 << 1462334193.87054801 redistribute (69.78538s) stopped
T01 >> 1462334193.87059498 libvdwxc nonlocal (384.03143s) started
T01 << 1462334200.16742492 libvdwxc nonlocal (390.32826s) stopped
T01 >> 1462334200.16747403 redistribute (69.78541s) started
T01 << 1462334200.91947889 redistribute (70.53741s) stopped
T01 << 1462334200.92100811 van der Waals (603.38970s) stopped
T01 << 1462334201.10094595 XC 3D grid (625.62157s) stopped
T01 >> 1462334201.10098505 Poisson (147.71738s) started
T01 << 1462334202.85096097 Poisson (149.46735s) stopped
T01 >> 1462334202.85102296 Hartree integrate/restrict (4.95095s) started
T01 << 1462334202.86607909 Hartree integrate/restrict (4.96601s) stopped
T01 >> 1462334202.86615109 Hartree integrate/restrict (4.96606s) started
T01 << 1462334202.93186593 Hartree integrate/restrict (5.03177s) stopped
T01 >> 1462334202.95275497 Atomic (374.10532s) started
T01 >> 1462334202.96255493 XC Correction (373.36774s) started
T01 << 1462334209.49317598 XC Correction (379.89836s) stopped
T01 << 1462334209.49627495 Atomic (380.64884s) stopped
T01 >> 1462334209.49637198 Communicate (243.63118s) started
T01 << 1462334215.16250110 Communicate (249.29731s) stopped
T01 << 1462334215.16252398 Hamiltonian (1412.01840s) stopped
T01 >> 1462334215.16257906 LCAO eigensolver (514.64628s) started
T01 >> 1462334215.16259193 Potential matrix (16.05919s) started
T01 << 1462334215.41972804 Potential matrix (16.31632s) stopped
T01 >> 1462334215.41979003 DistributedAtomicCorrection (86.65370s) started
T01 << 1462334216.82345104 DistributedAtomicCorrection (88.05736s) stopped
T01 >> 1462334216.82350993 Distribute overlap matrix (69.79126s) started
T01 >> 1462334216.82353091 blocked summation (65.99548s) started
T01 << 1462334217.86173701 blocked summation (67.03369s) stopped
T01 >> 1462334217.86378407 Scalapack redistribute (3.68573s) started
T01 << 1462334217.92010307 Scalapack redistribute (3.74205s) stopped
T01 << 1462334217.92016292 Distribute overlap matrix (70.88791s) stopped
T01 >> 1462334217.92075992 Blacs Orbital Layouts (178.37826s) started
T01 >> 1462334217.92190003 General diagonalize (174.94073s) started
T01 << 1462334220.62047005 General diagonalize (177.63930s) stopped
T01 >> 1462334220.62051296 Redistribute coefs (0.16582s) started
T01 << 1462334220.62274289 Redistribute coefs (0.16805s) stopped
T01 >> 1462334220.62278295 Send coefs to domains (3.16563s) started
T01 << 1462334220.67277908 Send coefs to domains (3.21563s) stopped
T01 << 1462334220.67297292 Blacs Orbital Layouts (181.13048s) stopped
T01 >> 1462334220.67301011 Calculate projections (163.70932s) started
T01 << 1462334223.26992297 Calculate projections (166.30623s) stopped
T01 << 1462334223.27028394 LCAO eigensolver (522.75399s) stopped
T01 << 1462334223.27095199 SCF-cycle (2060.54987s) stopped
T01 >> 1462334224.06420398 Force calculation (27.80045s) started
T01 >> 1462334224.06424904 LCAO forces (17.62357s) started
T01 >> 1462334224.06456900 Initial (0.00002s) started
T01 << 1462334224.06457996 Initial (0.00003s) stopped
T01 >> 1462334224.06900311 Get density matrix (3.35493s) started
T01 << 1462334224.65072799 Get density matrix (3.93665s) stopped
T01 >> 1462334224.65078712 Potential (1.33829s) started
T01 << 1462334225.99222493 Potential (2.67972s) stopped
T01 >> 1462334225.99227810 Get density matrix (3.93668s) started
T01 << 1462334228.95443702 Get density matrix (6.89884s) stopped
T01 >> 1462334228.95455098 Prepare TCI loop (1.60326s) started
T01 >> 1462334228.95496798 Get neighbors (1.46373s) started
T01 << 1462334230.57310200 Get neighbors (3.08186s) stopped
T01 >> 1462334230.57333112 broadcast dH (0.13910s) started
T01 << 1462334230.95499110 broadcast dH (0.52076s) stopped
T01 << 1462334230.95503592 Prepare TCI loop (3.60375s) stopped
T01 >> 1462334230.95505404 Not so complicated loop (2.40053s) started
T01 << 1462334233.56790805 Not so complicated loop (5.01339s) stopped
T01 >> 1462334233.66899610 Complicated loop (8.77342s) started
T01 << 1462334242.79033899 Complicated loop (17.89477s) stopped
T01 >> 1462334242.79842806 Wait for sum (0.00005s) started
T01 << 1462334242.79846406 Wait for sum (0.00008s) stopped
T01 << 1462334242.79847598 LCAO forces (36.35780s) stopped
T01 << 1462334253.12350106 Force calculation (56.85975s) stopped
T01 >> 1462334253.14065289 Initialization (96.66671s) started
T01 << 1462334253.14081311 Initialization (96.66687s) stopped
T01 >> 1462334253.14103198 Initialization (96.66688s) started
T01 << 1462334253.14116406 Initialization (96.66701s) stopped
T01 >> 1462334253.14129496 Initialization (96.66703s) started
T01 << 1462334253.14142394 Initialization (96.66716s) stopped
T01 >> 1462334273.46533108 Initialization (96.66718s) started
T01 >> 1462334273.54592109 Basic WFS set positions (0.15139s) started
T01 >> 1462334273.54594493 Redistribute (0.00014s) started
T01 << 1462334273.55285501 Redistribute (0.00705s) stopped
T01 << 1462334273.65048695 Basic WFS set positions (0.25596s) stopped
T01 >> 1462334273.65051508 Basis functions set positions (0.94916s) started
T01 << 1462334274.04765511 Basis functions set positions (1.34630s) stopped
T01 >> 1462334274.04873490 TCI: Calculate S, T, P (28.27408s) started
T01 << 1462334288.80963707 TCI: Calculate S, T, P (43.03498s) stopped
T01 >> 1462334288.80972195 blocked summation (6.84005s) started
T01 << 1462334292.53073597 blocked summation (10.56107s) stopped
T01 >> 1462334292.53160310 Scalapack redistribute (0.35114s) started
T01 << 1462334292.58549190 Scalapack redistribute (0.40503s) stopped
T01 >> 1462334292.58585906 blocked summation (10.56111s) started
T01 << 1462334292.76301694 blocked summation (10.73827s) stopped
T01 >> 1462334292.76387691 Scalapack redistribute (0.40508s) started
T01 << 1462334292.81697989 Scalapack redistribute (0.45818s) stopped
T01 >> 1462334292.81818390 Redistribute (0.00176s) started
T01 << 1462334292.81915808 Redistribute (0.00273s) stopped
T01 >> 1462334293.74655795 Redistribute (0.00275s) started
T01 << 1462334293.74751496 Redistribute (0.00370s) stopped
T01 >> 1462334293.75573802 LCAO WFS Initialize (56.34008s) started
T01 >> 1462334293.75576401 Density initialize from wavefunctions (1.21127s) started
T01 >> 1462334293.75608397 Calculate density matrix (0.70965s) started
T01 << 1462334294.45373297 Calculate density matrix (1.40730s) stopped
T01 >> 1462334294.45378208 Construct density (0.16798s) started
T01 << 1462334294.62159109 Construct density (0.33579s) stopped
T01 >> 1462334294.62292409 Symmetrize density (0.00004s) started
T01 << 1462334294.62295103 Symmetrize density (0.00007s) stopped
T01 << 1462334294.94419789 Density initialize from wavefunctions (2.39971s) stopped
T01 >> 1462334294.94483709 Hamiltonian (54.93359s) started
T01 >> 1462334294.94487405 vbar (0.02443s) started
T01 << 1462334294.95731997 vbar (0.03688s) stopped
T01 >> 1462334294.95740390 XC 3D grid (19.97309s) started
T01 >> 1462334295.13975906 van der Waals (19.27360s) started
T01 >> 1462334295.17823410 semilocal (4.46298s) started
T01 << 1462334297.38870192 semilocal (6.67345s) stopped
T01 >> 1462334297.41922688 redistribute (2.14324s) started
T01 << 1462334297.79419088 redistribute (2.51821s) stopped
T01 >> 1462334297.79422998 libvdwxc nonlocal (12.51813s) started
T01 << 1462334304.07072306 libvdwxc nonlocal (18.79462s) stopped
T01 >> 1462334304.07076502 redistribute (2.51824s) started
T01 << 1462334304.82155490 redistribute (3.26903s) stopped
T01 << 1462334304.82289004 van der Waals (28.95673s) stopped
T01 << 1462334305.00177312 XC 3D grid (30.01746s) stopped
T01 >> 1462334305.00181293 Poisson (10.77847s) started
T01 << 1462334310.15403795 Poisson (15.93069s) stopped
T01 >> 1462334310.15410900 Hartree integrate/restrict (0.15903s) started
T01 << 1462334310.16909289 Hartree integrate/restrict (0.17402s) stopped
T01 >> 1462334310.16919088 Hartree integrate/restrict (0.17408s) started
T01 << 1462334310.23187089 Hartree integrate/restrict (0.23676s) stopped
T01 >> 1462334310.25604105 Atomic (13.01306s) started
T01 >> 1462334310.26565194 XC Correction (12.98881s) started
T01 << 1462334317.09646297 XC Correction (19.81962s) stopped
T01 << 1462334317.09945607 Atomic (19.85648s) stopped
T01 >> 1462334317.09963107 Communicate (10.92658s) started
T01 << 1462334323.73645091 Communicate (17.56340s) stopped
T01 << 1462334323.73648810 Hamiltonian (83.72524s) stopped
T01 << 1462334323.73654699 LCAO WFS Initialize (86.32089s) stopped
T01 << 1462334323.74907708 Initialization (146.95092s) stopped
T01 >> 1462334323.77460909 SCF-cycle (2060.54989s) started
T01 >> 1462334323.77465510 LCAO eigensolver (522.75401s) started
T01 >> 1462334323.77466893 Potential matrix (16.31636s) started
T01 << 1462334324.02889395 Potential matrix (16.57058s) stopped
T01 >> 1462334324.02896094 DistributedAtomicCorrection (88.05739s) started
T01 << 1462334325.39001012 DistributedAtomicCorrection (89.41844s) stopped
T01 >> 1462334325.39009190 Distribute overlap matrix (70.88792s) started
T01 >> 1462334325.39011598 blocked summation (67.03372s) started
T01 << 1462334326.45489001 blocked summation (68.09849s) stopped
T01 >> 1462334326.45626593 Scalapack redistribute (3.74208s) started
T01 << 1462334326.51267004 Scalapack redistribute (3.79848s) stopped
T01 << 1462334326.51277089 Distribute overlap matrix (72.01060s) stopped
T01 >> 1462334326.51346302 Blacs Orbital Layouts (181.13049s) started
T01 >> 1462334326.51467896 General diagonalize (177.63933s) started
T01 << 1462334329.16826892 General diagonalize (180.29292s) stopped
T01 >> 1462334329.16831899 Redistribute coefs (0.16808s) started
T01 << 1462334329.17217398 Redistribute coefs (0.17193s) stopped
T01 >> 1462334329.17222309 Send coefs to domains (3.21566s) started
T01 << 1462334329.22352791 Send coefs to domains (3.26696s) stopped
T01 << 1462334329.22362494 Blacs Orbital Layouts (183.84066s) stopped
T01 >> 1462334329.22365808 Calculate projections (166.30628s) started
T01 << 1462334331.78498507 Calculate projections (168.86761s) stopped
T01 << 1462334331.78506303 LCAO eigensolver (530.76442s) stopped
T01 >> 1462334331.78572106 Density (125.73019s) started
T01 >> 1462334331.78573394 Pseudo density (103.39760s) started
T01 >> 1462334331.78617907 Calculate density matrix (92.80731s) started
T01 << 1462334333.28433490 Calculate density matrix (94.30547s) stopped
T01 >> 1462334333.28444195 Construct density (10.41672s) started
T01 << 1462334333.45362806 Construct density (10.58591s) stopped
T01 >> 1462334333.45502710 Symmetrize density (0.00253s) started
T01 << 1462334333.45506191 Symmetrize density (0.00256s) stopped
T01 << 1462334333.45552301 Pseudo density (105.06739s) stopped
T01 >> 1462334333.45554495 Atomic density matrices (14.72137s) started
T01 << 1462334333.68515396 Atomic density matrices (14.95097s) stopped
T01 >> 1462334333.68519402 Multipole moments (0.20470s) started
T01 << 1462334333.68890190 Multipole moments (0.20841s) stopped
T01 >> 1462334333.68892503 Normalize (0.06374s) started
T01 << 1462334333.68996000 Normalize (0.06478s) stopped
T01 >> 1462334333.68999600 Mix (7.33909s) started
T01 << 1462334333.79717493 Mix (7.44627s) stopped
T01 << 1462334333.79727793 Density (127.74175s) stopped
T01 >> 1462334333.79737997 Hamiltonian (1412.01842s) started
T01 >> 1462334333.79740095 vbar (0.63372s) started
T01 << 1462334333.81111407 vbar (0.64743s) stopped
T01 >> 1462334333.81119990 XC 3D grid (625.62160s) started
T01 >> 1462334333.97971511 van der Waals (603.38977s) started
T01 >> 1462334334.02289796 semilocal (137.90286s) started
T01 << 1462334336.22294211 semilocal (140.10290s) stopped
T01 >> 1462334336.25307703 redistribute (70.53750s) started
T01 << 1462334336.65836096 redistribute (70.94278s) stopped
T01 >> 1462334336.65841007 libvdwxc nonlocal (390.32829s) started
T01 << 1462334343.07147288 libvdwxc nonlocal (396.74135s) stopped
T01 >> 1462334343.07152009 redistribute (70.94282s) started
T01 << 1462334343.70880198 redistribute (71.58010s) stopped
T01 << 1462334343.71010900 van der Waals (613.12017s) stopped
T01 << 1462334343.88735104 XC 3D grid (635.69775s) stopped
T01 >> 1462334343.88739991 Poisson (149.46740s) started
T01 << 1462334347.30386209 Poisson (152.88386s) stopped
T01 >> 1462334347.30396104 Hartree integrate/restrict (5.03180s) started
T01 << 1462334347.31972408 Hartree integrate/restrict (5.04756s) stopped
T01 >> 1462334347.31978106 Hartree integrate/restrict (5.04760s) started
T01 << 1462334347.38135195 Hartree integrate/restrict (5.10917s) stopped
T01 >> 1462334347.40526390 Atomic (380.64885s) started
T01 >> 1462334347.41531396 XC Correction (379.89839s) started
T01 << 1462334354.20103407 XC Correction (386.68411s) stopped
T01 << 1462334354.20415711 Atomic (387.44775s) stopped
T01 >> 1462334354.20430112 Communicate (249.29733s) started
T01 << 1462334360.60371494 Communicate (255.69674s) stopped
T01 << 1462334360.60374403 Hamiltonian (1438.82478s) stopped
T01 >> 1462334360.60384202 LCAO eigensolver (530.76443s) started
T01 >> 1462334360.60385704 Potential matrix (16.57062s) started
T01 << 1462334360.85856104 Potential matrix (16.82532s) stopped
T01 >> 1462334360.85862899 DistributedAtomicCorrection (89.41847s) started
T01 << 1462334362.23077703 DistributedAtomicCorrection (90.79062s) stopped
T01 >> 1462334362.23085904 Distribute overlap matrix (72.01061s) started
T01 >> 1462334362.23088098 blocked summation (68.09853s) started
T01 << 1462334363.29235911 blocked summation (69.16001s) stopped
T01 >> 1462334363.29376197 Scalapack redistribute (3.79852s) started
T01 << 1462334363.35001302 Scalapack redistribute (3.85477s) stopped
T01 << 1462334363.35011005 Distribute overlap matrix (73.12986s) stopped
T01 >> 1462334363.35081005 Blacs Orbital Layouts (183.84067s) started
T01 >> 1462334363.35195589 General diagonalize (180.29296s) started
T01 << 1462334366.01671910 General diagonalize (182.95772s) stopped
T01 >> 1462334366.01676893 Redistribute coefs (0.17197s) started
T01 << 1462334366.02025890 Redistribute coefs (0.17546s) stopped
T01 >> 1462334366.02030706 Send coefs to domains (3.26705s) started
T01 << 1462334366.07148194 Send coefs to domains (3.31822s) stopped
T01 << 1462334366.07191610 Blacs Orbital Layouts (186.56177s) stopped
T01 >> 1462334366.07197189 Calculate projections (168.86766s) started
T01 << 1462334368.63333392 Calculate projections (171.42902s) stopped
T01 << 1462334368.63341308 LCAO eigensolver (538.79400s) stopped
T01 >> 1462334368.63408089 Density (127.74176s) started
T01 >> 1462334368.63409400 Pseudo density (105.06740s) started
T01 >> 1462334368.63451791 Calculate density matrix (94.30554s) started
T01 << 1462334370.12456012 Calculate density matrix (95.79558s) stopped
T01 >> 1462334370.12467194 Construct density (10.58594s) started
T01 << 1462334370.29362106 Construct density (10.75489s) stopped
T01 >> 1462334370.29506612 Symmetrize density (0.00257s) started
T01 << 1462334370.29509902 Symmetrize density (0.00261s) stopped
T01 << 1462334370.29554009 Pseudo density (106.72885s) stopped
T01 >> 1462334370.29556108 Atomic density matrices (14.95100s) started
T01 << 1462334370.52482891 Atomic density matrices (15.18027s) stopped
T01 >> 1462334370.52486706 Multipole moments (0.20842s) started
T01 << 1462334370.52858305 Multipole moments (0.21214s) stopped
T01 >> 1462334370.52860498 Normalize (0.06480s) started
T01 << 1462334370.52963400 Normalize (0.06583s) stopped
T01 >> 1462334370.52967501 Mix (7.44637s) started
T01 << 1462334370.63888097 Mix (7.55557s) stopped
T01 << 1462334370.63898706 Density (129.74667s) stopped
T01 >> 1462334370.63908792 Hamiltonian (1438.82479s) started
T01 >> 1462334370.63910604 vbar (0.64747s) started
T01 << 1462334370.65216494 vbar (0.66053s) stopped
T01 >> 1462334370.65230489 XC 3D grid (635.69779s) started
T01 >> 1462334370.82224607 van der Waals (613.12022s) started
T01 >> 1462334370.86551690 semilocal (140.10304s) started
T01 << 1462334373.08400011 semilocal (142.32152s) stopped
T01 >> 1462334373.11315989 redistribute (71.58014s) started
T01 << 1462334373.49587703 redistribute (71.96286s) stopped
T01 >> 1462334373.49594307 libvdwxc nonlocal (396.74139s) started
T01 << 1462334379.90434909 libvdwxc nonlocal (403.14979s) stopped
T01 >> 1462334379.90441704 redistribute (71.96290s) started
T01 << 1462334380.55477500 redistribute (72.61326s) stopped
T01 << 1462334380.55605888 van der Waals (622.85403s) stopped
T01 << 1462334380.72732091 XC 3D grid (645.77280s) stopped
T01 >> 1462334380.72737193 Poisson (152.88393s) started
T01 << 1462334383.01357007 Poisson (155.17013s) stopped
T01 >> 1462334383.01367807 Hartree integrate/restrict (5.10920s) started
T01 << 1462334383.02961206 Hartree integrate/restrict (5.12514s) stopped
T01 >> 1462334383.02968192 Hartree integrate/restrict (5.12519s) started
T01 << 1462334383.09196806 Hartree integrate/restrict (5.18747s) stopped
T01 >> 1462334383.11355400 Atomic (387.44776s) started
T01 >> 1462334383.12324309 XC Correction (386.68413s) started
T01 << 1462334389.61363506 XC Correction (393.17452s) stopped
T01 << 1462334389.61677408 Atomic (393.95098s) stopped
T01 >> 1462334389.61692309 Communicate (255.69676s) started
T01 << 1462334395.50198603 Communicate (261.58182s) stopped
T01 << 1462334395.50201702 Hamiltonian (1463.68772s) stopped
T01 >> 1462334395.50211692 LCAO eigensolver (538.79401s) started
T01 >> 1462334395.50213194 Potential matrix (16.82535s) started
T01 << 1462334395.75662208 Potential matrix (17.07984s) stopped
T01 >> 1462334395.75669098 DistributedAtomicCorrection (90.79065s) started
T01 << 1462334397.12611198 DistributedAtomicCorrection (92.16007s) stopped
T01 >> 1462334397.12619209 Distribute overlap matrix (73.12988s) started
T01 >> 1462334397.12621498 blocked summation (69.16005s) started
T01 << 1462334398.18370605 blocked summation (70.21754s) stopped
T01 >> 1462334398.18535089 Scalapack redistribute (3.85480s) started
T01 << 1462334398.24085212 Scalapack redistribute (3.91031s) stopped
T01 << 1462334398.24095106 Distribute overlap matrix (74.24464s) stopped
T01 >> 1462334398.24159789 Blacs Orbital Layouts (186.56179s) started
T01 >> 1462334398.24283695 General diagonalize (182.95776s) started
T01 << 1462334400.90308690 General diagonalize (185.61801s) stopped
T01 >> 1462334400.90314698 Redistribute coefs (0.17550s) started
T01 << 1462334400.90667105 Redistribute coefs (0.17902s) stopped
T01 >> 1462334400.90671802 Send coefs to domains (3.31830s) started
T01 << 1462334400.95804501 Send coefs to domains (3.36963s) stopped
T01 << 1462334400.95846510 Blacs Orbital Layouts (189.27866s) stopped
T01 >> 1462334400.95852208 Calculate projections (171.42908s) started
T01 << 1462334403.51993489 Calculate projections (173.99049s) stopped
T01 << 1462334403.52021408 LCAO eigensolver (546.81211s) stopped
T01 >> 1462334403.52095795 Density (129.74669s) started
T01 >> 1462334403.52097011 Pseudo density (106.72886s) started
T01 >> 1462334403.52139497 Calculate density matrix (95.79566s) started
T01 << 1462334405.01576996 Calculate density matrix (97.29004s) stopped
T01 >> 1462334405.01591301 Construct density (10.75494s) started
T01 << 1462334405.18505001 Construct density (10.92408s) stopped
T01 >> 1462334405.18742609 Symmetrize density (0.00262s) started
T01 << 1462334405.18746305 Symmetrize density (0.00266s) stopped
T01 << 1462334405.18791604 Pseudo density (108.39581s) stopped
T01 >> 1462334405.18793702 Atomic density matrices (15.18030s) started
T01 << 1462334405.41510606 Atomic density matrices (15.40747s) stopped
T01 >> 1462334405.41514492 Multipole moments (0.21215s) started
T01 << 1462334405.41888499 Multipole moments (0.21589s) stopped
T01 >> 1462334405.41890907 Normalize (0.06586s) started
T01 << 1462334405.41994596 Normalize (0.06690s) stopped
T01 >> 1462334405.41998100 Mix (7.55568s) started
T01 << 1462334405.53191304 Mix (7.66761s) stopped
T01 << 1462334405.53200698 Density (131.75774s) stopped
T01 >> 1462334405.53211403 Hamiltonian (1463.68774s) started
T01 >> 1462334405.53213310 vbar (0.66061s) started
T01 << 1462334405.54565001 vbar (0.67413s) stopped
T01 >> 1462334405.54578495 XC 3D grid (645.77284s) started
T01 >> 1462334405.72088289 van der Waals (622.85411s) started
T01 >> 1462334405.76188302 semilocal (142.32158s) started
T01 << 1462334407.97956491 semilocal (144.53927s) stopped
T01 >> 1462334408.00879502 redistribute (72.61331s) started
T01 << 1462334408.38523698 redistribute (72.98976s) stopped
T01 >> 1462334408.38530302 libvdwxc nonlocal (403.14984s) started
T01 << 1462334414.79451299 libvdwxc nonlocal (409.55905s) stopped
T01 >> 1462334414.79460311 redistribute (72.98979s) started
T01 << 1462334415.44242597 redistribute (73.63762s) stopped
T01 << 1462334415.44352889 van der Waals (632.57676s) stopped
T01 << 1462334415.61340189 XC 3D grid (655.84046s) stopped
T01 >> 1462334415.61345291 Poisson (155.17021s) started
T01 << 1462334418.46704507 Poisson (158.02381s) stopped
T01 >> 1462334418.46714711 Hartree integrate/restrict (5.18751s) started
T01 << 1462334418.48300791 Hartree integrate/restrict (5.20337s) stopped
T01 >> 1462334418.48306990 Hartree integrate/restrict (5.20341s) started
T01 << 1462334418.54563808 Hartree integrate/restrict (5.26598s) stopped
T01 >> 1462334418.56747293 Atomic (393.95100s) started
T01 >> 1462334418.57718492 XC Correction (393.17455s) started
T01 << 1462334424.84668207 XC Correction (399.44405s) stopped
T01 << 1462334424.84981394 Atomic (400.23334s) stopped
T01 >> 1462334424.84995890 Communicate (261.58184s) started
T01 << 1462334430.13981104 Communicate (266.87170s) stopped
T01 << 1462334430.13984108 Hamiltonian (1488.29546s) stopped
T01 >> 1462334430.13994408 LCAO eigensolver (546.81213s) started
T01 >> 1462334430.13995910 Potential matrix (17.07988s) started
T01 << 1462334430.39473200 Potential matrix (17.33465s) stopped
T01 >> 1462334430.39479995 DistributedAtomicCorrection (92.16011s) started
T01 << 1462334431.76464200 DistributedAtomicCorrection (93.52995s) stopped
T01 >> 1462334431.76472592 Distribute overlap matrix (74.24465s) started
T01 >> 1462334431.76474905 blocked summation (70.21762s) started
T01 << 1462334432.83893704 blocked summation (71.29181s) stopped
T01 >> 1462334432.84073901 Scalapack redistribute (3.91034s) started
T01 << 1462334432.89840794 Scalapack redistribute (3.96801s) stopped
T01 << 1462334432.89850712 Distribute overlap matrix (75.37843s) stopped
T01 >> 1462334432.89916492 Blacs Orbital Layouts (189.27868s) started
T01 >> 1462334432.90030408 General diagonalize (185.61805s) started
T01 << 1462334435.55403709 General diagonalize (188.27178s) stopped
T01 >> 1462334435.55409908 Redistribute coefs (0.17906s) started
T01 << 1462334435.55798697 Redistribute coefs (0.18295s) stopped
T01 >> 1462334435.55803394 Send coefs to domains (3.36970s) started
T01 << 1462334435.61143494 Send coefs to domains (3.42310s) stopped
T01 << 1462334435.61183095 Blacs Orbital Layouts (191.99134s) stopped
T01 >> 1462334435.61188793 Calculate projections (173.99054s) started
T01 << 1462334438.17336297 Calculate projections (176.55202s) stopped
T01 << 1462334438.17363596 LCAO eigensolver (554.84582s) stopped
T01 >> 1462334438.17437792 Density (131.75775s) started
T01 >> 1462334438.17439103 Pseudo density (108.39583s) started
T01 >> 1462334438.17482305 Calculate density matrix (97.29012s) started
T01 << 1462334439.66734910 Calculate density matrix (98.78264s) stopped
T01 >> 1462334439.66747689 Construct density (10.92411s) started
T01 << 1462334439.83673191 Construct density (11.09336s) stopped
T01 >> 1462334439.83908510 Symmetrize density (0.00267s) started
T01 << 1462334439.83912206 Symmetrize density (0.00271s) stopped
T01 << 1462334439.83956409 Pseudo density (110.06100s) stopped
T01 >> 1462334439.83958507 Atomic density matrices (15.40749s) started
T01 << 1462334440.06729698 Atomic density matrices (15.63521s) stopped
T01 >> 1462334440.06733704 Multipole moments (0.21591s) started
T01 << 1462334440.07106996 Multipole moments (0.21964s) stopped
T01 >> 1462334440.07109189 Normalize (0.06692s) started
T01 << 1462334440.07212806 Normalize (0.06796s) stopped
T01 >> 1462334440.07216191 Mix (7.66770s) started
T01 << 1462334440.18788600 Mix (7.78342s) stopped
T01 << 1462334440.18800211 Density (133.77138s) stopped
T01 >> 1462334440.18811989 Hamiltonian (1488.29548s) started
T01 >> 1462334440.18814111 vbar (0.67421s) started
T01 << 1462334440.20099497 vbar (0.68706s) stopped
T01 >> 1462334440.20113111 XC 3D grid (655.84050s) started
T01 >> 1462334440.37513208 van der Waals (632.57684s) started
T01 >> 1462334440.41789007 semilocal (144.53933s) started
T01 << 1462334442.63668799 semilocal (146.75812s) stopped
T01 >> 1462334442.66697788 redistribute (73.63771s) started
T01 << 1462334443.04829788 redistribute (74.01903s) stopped
T01 >> 1462334443.04836392 libvdwxc nonlocal (409.55911s) started
T01 << 1462334449.46088290 libvdwxc nonlocal (415.97163s) stopped
T01 >> 1462334449.46096206 redistribute (74.01907s) started
T01 << 1462334450.10189390 redistribute (74.66000s) stopped
T01 << 1462334450.10363197 van der Waals (642.30534s) stopped
T01 << 1462334450.27804494 XC 3D grid (665.91741s) stopped
T01 >> 1462334450.27809501 Poisson (158.02388s) started
T01 << 1462334453.11675191 Poisson (160.86254s) stopped
T01 >> 1462334453.11684608 Hartree integrate/restrict (5.26602s) started
T01 << 1462334453.13260508 Hartree integrate/restrict (5.28178s) stopped
T01 >> 1462334453.13267493 Hartree integrate/restrict (5.28183s) started
T01 << 1462334453.19470000 Hartree integrate/restrict (5.34386s) stopped
T01 >> 1462334453.21748209 Atomic (400.23336s) started
T01 >> 1462334453.22712803 XC Correction (399.44407s) started
T01 << 1462334459.48700690 XC Correction (405.70395s) stopped
T01 << 1462334459.49014807 Atomic (406.50602s) stopped
T01 >> 1462334459.49029303 Communicate (266.87172s) started
T01 << 1462334464.32804394 Communicate (271.70947s) stopped
T01 << 1462334464.32808495 Hamiltonian (1512.43544s) stopped
T01 >> 1462334464.32822490 LCAO eigensolver (554.84584s) started
T01 >> 1462334464.32825494 Potential matrix (17.33469s) started
T01 << 1462334464.58212090 Potential matrix (17.58855s) stopped
T01 >> 1462334464.58218694 DistributedAtomicCorrection (93.52998s) started
T01 << 1462334465.96691298 DistributedAtomicCorrection (94.91471s) stopped
T01 >> 1462334465.96699595 Distribute overlap matrix (75.37844s) started
T01 >> 1462334465.96701908 blocked summation (71.29185s) started
T01 << 1462334467.03456402 blocked summation (72.35939s) stopped
T01 >> 1462334467.03610897 Scalapack redistribute (3.96805s) started
T01 << 1462334467.09311390 Scalapack redistribute (4.02506s) stopped
T01 << 1462334467.09321499 Distribute overlap matrix (76.50466s) stopped
T01 >> 1462334467.09388900 Blacs Orbital Layouts (191.99136s) started
T01 >> 1462334467.09503102 General diagonalize (188.27182s) started
T01 << 1462334469.74844098 General diagonalize (190.92523s) stopped
T01 >> 1462334469.74850106 Redistribute coefs (0.18299s) started
T01 << 1462334469.75229192 Redistribute coefs (0.18678s) stopped
T01 >> 1462334469.75233793 Send coefs to domains (3.42318s) started
T01 << 1462334469.80374789 Send coefs to domains (3.47459s) stopped
T01 << 1462334469.80412197 Blacs Orbital Layouts (194.70159s) stopped
T01 >> 1462334469.80418396 Calculate projections (176.55207s) started
T01 << 1462334472.36563897 Calculate projections (179.11353s) stopped
T01 << 1462334472.36590099 LCAO eigensolver (562.88352s) stopped
T01 >> 1462334472.36680698 Density (133.77139s) started
T01 >> 1462334472.36682010 Pseudo density (110.06101s) started
T01 >> 1462334472.36724806 Calculate density matrix (98.78272s) started
T01 << 1462334473.85685492 Calculate density matrix (100.27232s) stopped
T01 >> 1462334473.85698199 Construct density (11.09340s) started
T01 << 1462334474.02591300 Construct density (11.26233s) stopped
T01 >> 1462334474.02845907 Symmetrize density (0.00272s) started
T01 << 1462334474.02849603 Symmetrize density (0.00276s) stopped
T01 << 1462334474.02894998 Pseudo density (111.72314s) stopped
T01 >> 1462334474.02897501 Atomic density matrices (15.63523s) started
T01 << 1462334474.25726390 Atomic density matrices (15.86352s) stopped
T01 >> 1462334474.25730205 Multipole moments (0.21966s) started
T01 << 1462334474.26108193 Multipole moments (0.22344s) stopped
T01 >> 1462334474.26110506 Normalize (0.06799s) started
T01 << 1462334474.26214290 Normalize (0.06902s) stopped
T01 >> 1462334474.26217890 Mix (7.78353s) started
T01 << 1462334474.38157105 Mix (7.90292s) stopped
T01 << 1462334474.38166904 Density (135.78626s) stopped
T01 >> 1462334474.38177299 Hamiltonian (1512.43546s) started
T01 >> 1462334474.38179302 vbar (0.68714s) started
T01 << 1462334474.39505100 vbar (0.70040s) stopped
T01 >> 1462334474.39511704 XC 3D grid (665.91745s) started
T01 >> 1462334474.56981492 van der Waals (642.30544s) started
T01 >> 1462334474.61244798 semilocal (146.75818s) started
T01 << 1462334476.82315993 semilocal (148.96889s) stopped
T01 >> 1462334476.85280299 redistribute (74.66011s) started
T01 << 1462334477.24425912 redistribute (75.05157s) stopped
T01 >> 1462334477.24432492 libvdwxc nonlocal (415.97167s) started
T01 << 1462334483.71631002 libvdwxc nonlocal (422.44365s) stopped
T01 >> 1462334483.71639895 redistribute (75.05160s) started
T01 << 1462334484.36430502 redistribute (75.69951s) stopped
T01 << 1462334484.36552596 van der Waals (652.10115s) stopped
T01 << 1462334484.53662395 XC 3D grid (676.05896s) stopped
T01 >> 1462334484.53667688 Poisson (160.86261s) started
T01 << 1462334486.81890106 Poisson (163.14484s) stopped
T01 >> 1462334486.81898594 Hartree integrate/restrict (5.34389s) started
T01 << 1462334486.83484006 Hartree integrate/restrict (5.35975s) stopped
T01 >> 1462334486.83489704 Hartree integrate/restrict (5.35979s) started
T01 << 1462334486.89737606 Hartree integrate/restrict (5.42226s) stopped
T01 >> 1462334486.92054892 Atomic (406.50604s) started
T01 >> 1462334486.93042588 XC Correction (405.70397s) started
T01 << 1462334493.20008993 XC Correction (411.97364s) stopped
T01 << 1462334493.20328212 Atomic (412.78877s) stopped
T01 >> 1462334493.20343089 Communicate (271.70950s) started
T01 << 1462334498.00471091 Communicate (276.51078s) stopped
T01 << 1462334498.00474095 Hamiltonian (1536.05842s) stopped
T01 >> 1462334498.00484610 LCAO eigensolver (562.88353s) started
T01 >> 1462334498.00486112 Potential matrix (17.58859s) started
T01 << 1462334498.25920200 Potential matrix (17.84293s) stopped
T01 >> 1462334498.25926995 DistributedAtomicCorrection (94.91475s) started
T01 << 1462334499.62634993 DistributedAtomicCorrection (96.28183s) stopped
T01 >> 1462334499.62643099 Distribute overlap matrix (76.50467s) started
T01 >> 1462334499.62645292 blocked summation (72.35943s) started
T01 << 1462334500.71101093 blocked summation (73.44399s) stopped
T01 >> 1462334500.71263790 Scalapack redistribute (4.02510s) started
T01 << 1462334500.77020001 Scalapack redistribute (4.08266s) stopped
T01 << 1462334500.77030110 Distribute overlap matrix (77.64854s) stopped
T01 >> 1462334500.77096200 Blacs Orbital Layouts (194.70161s) started
T01 >> 1462334500.77210808 General diagonalize (190.92527s) started
T01 << 1462334503.39462399 General diagonalize (193.54778s) stopped
T01 >> 1462334503.39468694 Redistribute coefs (0.18681s) started
T01 << 1462334503.39836693 Redistribute coefs (0.19049s) stopped
T01 >> 1462334503.39841700 Send coefs to domains (3.47467s) started
T01 << 1462334503.45124292 Send coefs to domains (3.52750s) stopped
T01 << 1462334503.45161295 Blacs Orbital Layouts (197.38226s) stopped
T01 >> 1462334503.45167494 Calculate projections (179.11358s) started
T01 << 1462334506.01291895 Calculate projections (181.67483s) stopped
T01 << 1462334506.01317096 LCAO eigensolver (570.89186s) stopped
T01 >> 1462334506.01405907 Density (135.78627s) started
T01 >> 1462334506.01407099 Pseudo density (111.72316s) started
T01 >> 1462334506.01449704 Calculate density matrix (100.27239s) started
T01 << 1462334507.50411892 Calculate density matrix (101.76201s) stopped
T01 >> 1462334507.50424695 Construct density (11.26237s) started
T01 << 1462334507.67298508 Construct density (11.43111s) stopped
T01 >> 1462334507.67549300 Symmetrize density (0.00277s) started
T01 << 1462334507.67552996 Symmetrize density (0.00281s) stopped
T01 << 1462334507.67598009 Pseudo density (113.38507s) stopped
T01 >> 1462334507.67600012 Atomic density matrices (15.86355s) started
T01 << 1462334507.90377808 Atomic density matrices (16.09133s) stopped
T01 >> 1462334507.90381598 Multipole moments (0.22345s) started
T01 << 1462334507.90753794 Multipole moments (0.22717s) stopped
T01 >> 1462334507.90756011 Normalize (0.06905s) started
T01 << 1462334507.90859795 Normalize (0.07009s) stopped
T01 >> 1462334507.90863299 Mix (7.90302s) started
T01 << 1462334508.02774310 Mix (8.02213s) stopped
T01 << 1462334508.02785802 Density (137.80007s) stopped
T01 >> 1462334508.02798104 Hamiltonian (1536.05844s) started
T01 >> 1462334508.02800202 vbar (0.70044s) started
T01 << 1462334508.04121304 vbar (0.71365s) stopped
T01 >> 1462334508.04136300 XC 3D grid (676.05900s) started
T01 >> 1462334508.21251702 van der Waals (652.10125s) started
T01 >> 1462334508.25572991 semilocal (148.96895s) started
T01 << 1462334510.47002411 semilocal (151.18325s) stopped
T01 >> 1462334510.49914789 redistribute (75.69957s) started
T01 << 1462334510.89099312 redistribute (76.09141s) stopped
T01 >> 1462334510.89105892 libvdwxc nonlocal (422.44370s) started
T01 << 1462334517.30657101 libvdwxc nonlocal (428.85922s) stopped
T01 >> 1462334517.30669689 redistribute (76.09145s) started
T01 << 1462334517.94999504 redistribute (76.73475s) stopped
T01 << 1462334517.95158696 van der Waals (661.84032s) stopped
T01 << 1462334518.12593699 XC 3D grid (686.14357s) stopped
T01 >> 1462334518.12598205 Poisson (163.14490s) started
T01 << 1462334520.98264098 Poisson (166.00156s) stopped
T01 >> 1462334520.98274493 Hartree integrate/restrict (5.42230s) started
T01 << 1462334520.99857593 Hartree integrate/restrict (5.43813s) stopped
T01 >> 1462334520.99863911 Hartree integrate/restrict (5.43817s) started
T01 << 1462334521.06148911 Hartree integrate/restrict (5.50102s) stopped
T01 >> 1462334521.08387399 Atomic (412.78879s) started
T01 >> 1462334521.09376192 XC Correction (411.97366s) started
T01 << 1462334527.35998511 XC Correction (418.23989s) stopped
T01 << 1462334527.36318398 Atomic (419.06810s) stopped
T01 >> 1462334527.36333203 Communicate (276.51080s) started
T01 << 1462334532.29409003 Communicate (281.44156s) stopped
T01 << 1462334532.29411888 Hamiltonian (1560.32457s) stopped
T01 >> 1462334532.29422593 LCAO eigensolver (570.89188s) started
T01 >> 1462334532.29424000 Potential matrix (17.84296s) started
T01 << 1462334532.54765892 Potential matrix (18.09638s) stopped
T01 >> 1462334532.54772592 DistributedAtomicCorrection (96.28186s) started
T01 << 1462334533.91216993 DistributedAtomicCorrection (97.64630s) stopped
T01 >> 1462334533.91225100 Distribute overlap matrix (77.64855s) started
T01 >> 1462334533.91227293 blocked summation (73.44402s) started
T01 << 1462334534.97882295 blocked summation (74.51057s) stopped
T01 >> 1462334534.98087001 Scalapack redistribute (4.08270s) started
T01 << 1462334535.03949404 Scalapack redistribute (4.14132s) stopped
T01 << 1462334535.03959298 Distribute overlap matrix (78.77590s) stopped
T01 >> 1462334535.04025793 Blacs Orbital Layouts (197.38228s) started
T01 >> 1462334535.04139400 General diagonalize (193.54783s) started
T01 << 1462334537.69924903 General diagonalize (196.20568s) stopped
T01 >> 1462334537.69930911 Redistribute coefs (0.19053s) started
T01 << 1462334537.70255089 Redistribute coefs (0.19377s) stopped
T01 >> 1462334537.70259809 Send coefs to domains (3.52757s) started
T01 << 1462334537.75425196 Send coefs to domains (3.57923s) stopped
T01 << 1462334537.75462699 Blacs Orbital Layouts (200.09665s) stopped
T01 >> 1462334537.75469398 Calculate projections (181.67488s) started
T01 << 1462334540.31622910 Calculate projections (184.23642s) stopped
T01 << 1462334540.31662202 LCAO eigensolver (578.91427s) stopped
T01 >> 1462334540.31736588 Density (137.80009s) started
T01 >> 1462334540.31737995 Pseudo density (113.38509s) started
T01 >> 1462334540.31781292 Calculate density matrix (101.76209s) started
T01 << 1462334541.81015801 Calculate density matrix (103.25443s) stopped
T01 >> 1462334541.81028795 Construct density (11.43115s) started
T01 << 1462334541.97924900 Construct density (11.60011s) stopped
T01 >> 1462334541.98165607 Symmetrize density (0.00282s) started
T01 << 1462334541.98169303 Symmetrize density (0.00286s) stopped
T01 << 1462334541.98213410 Pseudo density (115.04984s) stopped
T01 >> 1462334541.98215508 Atomic density matrices (16.09135s) started
T01 << 1462334542.21090102 Atomic density matrices (16.32010s) stopped
T01 >> 1462334542.21093893 Multipole moments (0.22719s) started
T01 << 1462334542.21472311 Multipole moments (0.23097s) stopped
T01 >> 1462334542.21474504 Normalize (0.07011s) started
T01 << 1462334542.21577907 Normalize (0.07115s) stopped
T01 >> 1462334542.21581507 Mix (8.02223s) started
T01 << 1462334542.33560491 Mix (8.14202s) stopped
T01 << 1462334542.33570695 Density (139.81843s) stopped
T01 >> 1462334542.33581209 Hamiltonian (1560.32459s) started
T01 >> 1462334542.33583093 vbar (0.71374s) started
T01 << 1462334542.34937000 vbar (0.72727s) stopped
T01 >> 1462334542.34951305 XC 3D grid (686.14361s) started
T01 >> 1462334542.52492189 van der Waals (661.84042s) started
T01 >> 1462334542.56679201 semilocal (151.18331s) started
T01 << 1462334544.77968097 semilocal (153.39619s) stopped
T01 >> 1462334544.80888200 redistribute (76.73484s) started
T01 << 1462334545.20038390 redistribute (77.12634s) stopped
T01 >> 1462334545.20045090 libvdwxc nonlocal (428.85928s) started
T01 << 1462334551.60377789 libvdwxc nonlocal (435.26261s) stopped
T01 >> 1462334551.60386610 redistribute (77.12638s) started
T01 << 1462334552.24292493 redistribute (77.76544s) stopped
T01 << 1462334552.24467206 van der Waals (671.56017s) stopped
T01 << 1462334552.42030001 XC 3D grid (696.21440s) stopped
T01 >> 1462334552.42034888 Poisson (166.00163s) started
T01 << 1462334554.71164203 Poisson (168.29293s) stopped
T01 >> 1462334554.71174002 Hartree integrate/restrict (5.50109s) started
T01 << 1462334554.72760105 Hartree integrate/restrict (5.51695s) stopped
T01 >> 1462334554.72767401 Hartree integrate/restrict (5.51701s) started
T01 << 1462334554.78951311 Hartree integrate/restrict (5.57885s) stopped
T01 >> 1462334554.81271911 Atomic (419.06812s) started
T01 >> 1462334554.82255507 XC Correction (418.23991s) started
T01 << 1462334561.07447410 XC Correction (424.49183s) stopped
T01 << 1462334561.07767892 Atomic (425.33308s) stopped
T01 >> 1462334561.07782507 Communicate (281.44157s) started
T01 << 1462334566.03147197 Communicate (286.39522s) stopped
T01 << 1462334566.03150392 Hamiltonian (1584.02028s) stopped
T01 >> 1462334566.03160810 LCAO eigensolver (578.91429s) started
T01 >> 1462334566.03162193 Potential matrix (18.09641s) started
T01 << 1462334566.28819489 Potential matrix (18.35299s) stopped
T01 >> 1462334566.28826189 DistributedAtomicCorrection (97.64634s) started
T01 << 1462334567.64317608 DistributedAtomicCorrection (99.00125s) stopped
T01 >> 1462334567.64325595 Distribute overlap matrix (78.77591s) started
T01 >> 1462334567.64327908 blocked summation (74.51061s) started
T01 << 1462334568.71192503 blocked summation (75.57926s) stopped
T01 >> 1462334568.71350789 Scalapack redistribute (4.14136s) started
T01 << 1462334568.77258396 Scalapack redistribute (4.20044s) stopped
T01 << 1462334568.77268291 Distribute overlap matrix (79.90534s) stopped
T01 >> 1462334568.77334309 Blacs Orbital Layouts (200.09667s) started
T01 >> 1462334568.77447796 General diagonalize (196.20572s) started
T01 << 1462334571.41260290 General diagonalize (198.84384s) stopped
T01 >> 1462334571.41266489 Redistribute coefs (0.19381s) started
T01 << 1462334571.41616893 Redistribute coefs (0.19731s) stopped
T01 >> 1462334571.41621709 Send coefs to domains (3.57931s) started
T01 << 1462334571.46817207 Send coefs to domains (3.63126s) stopped
T01 << 1462334571.46854711 Blacs Orbital Layouts (202.79187s) stopped
T01 >> 1462334571.46860409 Calculate projections (184.23647s) started
T01 << 1462334574.02990103 Calculate projections (186.79777s) stopped
T01 << 1462334574.03015304 LCAO eigensolver (586.91284s) stopped
T01 >> 1462334574.03087592 Density (139.81845s) started
T01 >> 1462334574.03088808 Pseudo density (115.04985s) started
T01 >> 1462334574.03131199 Calculate density matrix (103.25450s) started
T01 << 1462334575.52643609 Calculate density matrix (104.74962s) stopped
T01 >> 1462334575.52656507 Construct density (11.60015s) started
T01 << 1462334575.69554901 Construct density (11.76914s) stopped
T01 >> 1462334575.69697189 Symmetrize density (0.00287s) started
T01 << 1462334575.69700599 Symmetrize density (0.00290s) stopped
T01 << 1462334575.69745111 Pseudo density (116.71642s) stopped
T01 >> 1462334575.69747305 Atomic density matrices (16.32013s) started
T01 << 1462334575.92680192 Atomic density matrices (16.54946s) stopped
T01 >> 1462334575.92684007 Multipole moments (0.23099s) started
T01 << 1462334575.93060803 Multipole moments (0.23475s) stopped
T01 >> 1462334575.93063092 Normalize (0.07117s) started
T01 << 1462334575.93166590 Normalize (0.07221s) stopped
T01 >> 1462334575.93170094 Mix (8.14212s) started
T01 << 1462334576.05197191 Mix (8.26239s) stopped
T01 << 1462334576.05207896 Density (141.83965s) stopped
T01 >> 1462334576.05218196 Hamiltonian (1584.02029s) started
T01 >> 1462334576.05220103 vbar (0.72736s) started
T01 << 1462334576.06560612 vbar (0.74076s) stopped
T01 >> 1462334576.06576395 XC 3D grid (696.21444s) started
T01 >> 1462334576.23494601 van der Waals (671.56028s) started
T01 >> 1462334576.27799106 semilocal (153.39626s) started
T01 << 1462334578.50189090 semilocal (155.62016s) stopped
T01 >> 1462334578.53081799 redistribute (77.76549s) started
T01 << 1462334578.91875005 redistribute (78.15343s) stopped
T01 >> 1462334578.91881609 libvdwxc nonlocal (435.26266s) started
T01 << 1462334585.67839694 libvdwxc nonlocal (442.02224s) stopped
T01 >> 1462334585.67848706 redistribute (78.15346s) started
T01 << 1462334586.32173800 redistribute (78.79671s) stopped
T01 << 1462334586.32381701 van der Waals (681.64915s) stopped
T01 << 1462334586.49671292 XC 3D grid (706.64538s) stopped
T01 >> 1462334586.49675989 Poisson (168.29300s) started
T01 << 1462334588.78097010 Poisson (170.57721s) stopped
T01 >> 1462334588.78105998 Hartree integrate/restrict (5.57888s) started
T01 << 1462334588.79697609 Hartree integrate/restrict (5.59479s) stopped
T01 >> 1462334588.79703307 Hartree integrate/restrict (5.59483s) started
T01 << 1462334588.85981202 Hartree integrate/restrict (5.65761s) stopped
T01 >> 1462334588.88261294 Atomic (425.33310s) started
T01 >> 1462334588.89256191 XC Correction (424.49185s) started
T01 << 1462334595.18984008 XC Correction (430.78913s) stopped
T01 << 1462334595.19304991 Atomic (431.64353s) stopped
T01 >> 1462334595.19319510 Communicate (286.39524s) started
T01 << 1462334600.11557508 Communicate (291.31762s) stopped
T01 << 1462334600.11560392 Hamiltonian (1608.08371s) stopped
T01 >> 1462334600.11571407 LCAO eigensolver (586.91286s) started
T01 >> 1462334600.11572909 Potential matrix (18.35302s) started
T01 << 1462334600.36920404 Potential matrix (18.60650s) stopped
T01 >> 1462334600.36927104 DistributedAtomicCorrection (99.00128s) started
T01 << 1462334601.72153401 DistributedAtomicCorrection (100.35355s) stopped
T01 >> 1462334601.72161388 Distribute overlap matrix (79.90535s) started
T01 >> 1462334601.72163796 blocked summation (75.57929s) started
T01 << 1462334602.81037807 blocked summation (76.66803s) stopped
T01 >> 1462334602.81250405 Scalapack redistribute (4.20047s) started
T01 << 1462334602.86790609 Scalapack redistribute (4.25587s) stopped
T01 << 1462334602.86800790 Distribute overlap matrix (81.05174s) stopped
T01 >> 1462334602.86866498 Blacs Orbital Layouts (202.79189s) started
T01 >> 1462334602.86980605 General diagonalize (198.84388s) started
T01 << 1462334605.53643990 General diagonalize (201.51052s) stopped
T01 >> 1462334605.53649998 Redistribute coefs (0.19735s) started
T01 << 1462334605.53972602 Redistribute coefs (0.20058s) stopped
T01 >> 1462334605.53977489 Send coefs to domains (3.63134s) started
T01 << 1462334605.59286499 Send coefs to domains (3.68443s) stopped
T01 << 1462334605.59328699 Blacs Orbital Layouts (205.51651s) stopped
T01 >> 1462334605.59334707 Calculate projections (186.79782s) started
T01 << 1462334608.15457892 Calculate projections (189.35906s) stopped
T01 << 1462334608.15497494 LCAO eigensolver (594.95212s) stopped
T01 >> 1462334608.15571189 Density (141.83967s) started
T01 >> 1462334608.15572405 Pseudo density (116.71643s) started
T01 >> 1462334608.15615296 Calculate density matrix (104.74970s) started
T01 << 1462334609.65278792 Calculate density matrix (106.24633s) stopped
T01 >> 1462334609.65292096 Construct density (11.76918s) started
T01 << 1462334609.82177997 Construct density (11.93804s) stopped
T01 >> 1462334609.82413006 Symmetrize density (0.00292s) started
T01 << 1462334609.82416797 Symmetrize density (0.00295s) stopped
T01 << 1462334609.82461309 Pseudo density (118.38532s) stopped
T01 >> 1462334609.82463288 Atomic density matrices (16.54948s) started
T01 << 1462334610.05414891 Atomic density matrices (16.77900s) stopped
T01 >> 1462334610.05418706 Multipole moments (0.23477s) started
T01 << 1462334610.05793500 Multipole moments (0.23852s) stopped
T01 >> 1462334610.05795789 Normalize (0.07223s) started
T01 << 1462334610.05899692 Normalize (0.07327s) stopped
T01 >> 1462334610.05903196 Mix (8.26250s) started
T01 << 1462334610.17934990 Mix (8.38281s) stopped
T01 << 1462334610.17945504 Density (143.86341s) stopped
T01 >> 1462334610.17957306 Hamiltonian (1608.08373s) started
T01 >> 1462334610.17959404 vbar (0.74086s) started
T01 << 1462334610.19285989 vbar (0.75412s) stopped
T01 >> 1462334610.19293499 XC 3D grid (706.64542s) started
T01 >> 1462334610.36181998 van der Waals (681.64924s) started
T01 >> 1462334610.40506411 semilocal (155.62027s) started
T01 << 1462334612.60795093 semilocal (157.82316s) stopped
T01 >> 1462334612.63838792 redistribute (78.79684s) started
T01 << 1462334613.03849602 redistribute (79.19695s) stopped
T01 >> 1462334613.03856206 libvdwxc nonlocal (442.02229s) started
T01 << 1462334619.49541497 libvdwxc nonlocal (448.47914s) stopped
T01 >> 1462334619.49548292 redistribute (79.19699s) started
T01 << 1462334620.13963890 redistribute (79.84114s) stopped
T01 << 1462334620.14144111 van der Waals (691.42886s) stopped
T01 << 1462334620.31409001 XC 3D grid (716.76658s) stopped
T01 >> 1462334620.31414104 Poisson (170.57728s) started
T01 << 1462334622.60017204 Poisson (172.86331s) stopped
T01 >> 1462334622.60027504 Hartree integrate/restrict (5.65765s) started
T01 << 1462334622.61600089 Hartree integrate/restrict (5.67337s) stopped
T01 >> 1462334622.61607909 Hartree integrate/restrict (5.67343s) started
T01 << 1462334622.67806506 Hartree integrate/restrict (5.73541s) stopped
T01 >> 1462334622.70009398 Atomic (431.64355s) started
T01 >> 1462334622.71004605 XC Correction (430.78916s) started
T01 << 1462334629.01183605 XC Correction (437.09095s) stopped
T01 << 1462334629.01502895 Atomic (437.95849s) stopped
T01 >> 1462334629.01516795 Communicate (291.31764s) started
T01 << 1462334633.86188006 Communicate (296.16435s) stopped
T01 << 1462334633.86192012 Hamiltonian (1631.76607s) stopped
T01 >> 1462334633.86206603 LCAO eigensolver (594.95214s) started
T01 >> 1462334633.86208010 Potential matrix (18.60653s) started
T01 << 1462334634.11718512 Potential matrix (18.86163s) stopped
T01 >> 1462334634.11725092 DistributedAtomicCorrection (100.35358s) started
T01 << 1462334635.48276591 DistributedAtomicCorrection (101.71910s) stopped
T01 >> 1462334635.48284602 Distribute overlap matrix (81.05176s) started
T01 >> 1462334635.48286891 blocked summation (76.66807s) started
T01 << 1462334636.55488610 blocked summation (77.74009s) stopped
T01 >> 1462334636.55702806 Scalapack redistribute (4.25591s) started
T01 << 1462334636.61357594 Scalapack redistribute (4.31246s) stopped
T01 << 1462334636.61367798 Distribute overlap matrix (82.18259s) stopped
T01 >> 1462334636.61434197 Blacs Orbital Layouts (205.51653s) started
T01 >> 1462334636.61550307 General diagonalize (201.51055s) started
T01 << 1462334639.26357293 General diagonalize (204.15862s) stopped
T01 >> 1462334639.26363206 Redistribute coefs (0.20062s) started
T01 << 1462334639.26673102 Redistribute coefs (0.20372s) stopped
T01 >> 1462334639.26678109 Send coefs to domains (3.68451s) started
T01 << 1462334639.31895399 Send coefs to domains (3.73668s) stopped
T01 << 1462334639.31932902 Blacs Orbital Layouts (208.22151s) stopped
T01 >> 1462334639.31939411 Calculate projections (189.35911s) started
T01 << 1462334641.88079596 Calculate projections (191.92051s) stopped
T01 << 1462334641.88118291 LCAO eigensolver (602.97125s) stopped
T01 >> 1462334641.88190889 Density (143.86343s) started
T01 >> 1462334641.88192201 Pseudo density (118.38534s) started
T01 >> 1462334641.88234806 Calculate density matrix (106.24641s) started
T01 << 1462334643.37037992 Calculate density matrix (107.73444s) stopped
T01 >> 1462334643.37050891 Construct density (11.93808s) started
T01 << 1462334643.53945398 Construct density (12.10702s) stopped
T01 >> 1462334643.54182196 Symmetrize density (0.00296s) started
T01 << 1462334643.54185796 Symmetrize density (0.00300s) stopped
T01 << 1462334643.54229808 Pseudo density (120.04571s) stopped
T01 >> 1462334643.54231811 Atomic density matrices (16.77903s) started
T01 << 1462334643.77077699 Atomic density matrices (17.00749s) stopped
T01 >> 1462334643.77081609 Multipole moments (0.23853s) started
T01 << 1462334643.77448511 Multipole moments (0.24220s) stopped
T01 >> 1462334643.77450705 Normalize (0.07330s) started
T01 << 1462334643.77553701 Normalize (0.07433s) stopped
T01 >> 1462334643.77557111 Mix (8.38292s) started
T01 << 1462334643.89566898 Mix (8.50301s) stopped
T01 << 1462334643.89576888 Density (145.87729s) stopped
T01 >> 1462334643.89587402 Hamiltonian (1631.76609s) started
T01 >> 1462334643.89589310 vbar (0.75417s) started
T01 << 1462334643.90938091 vbar (0.76766s) stopped
T01 >> 1462334643.90951705 XC 3D grid (716.76661s) started
T01 >> 1462334644.08371496 van der Waals (691.42891s) started
T01 >> 1462334644.12695408 semilocal (157.82326s) started
T01 << 1462334646.35096908 semilocal (160.04727s) stopped
T01 >> 1462334646.37995195 redistribute (79.84125s) started
T01 << 1462334646.75692797 redistribute (80.21822s) stopped
T01 >> 1462334646.75699401 libvdwxc nonlocal (448.47918s) started
T01 << 1462334653.15638399 libvdwxc nonlocal (454.87857s) stopped
T01 >> 1462334653.15647292 redistribute (80.21826s) started
T01 << 1462334653.80696297 redistribute (80.86875s) stopped
T01 << 1462334653.80822206 van der Waals (701.15342s) stopped
T01 << 1462334653.97828102 XC 3D grid (726.83538s) stopped
T01 >> 1462334653.97832894 Poisson (172.86339s) started
T01 << 1462334656.83407688 Poisson (175.71914s) stopped
T01 >> 1462334656.83417606 Hartree integrate/restrict (5.73545s) started
T01 << 1462334656.84999108 Hartree integrate/restrict (5.75126s) stopped
T01 >> 1462334656.85005903 Hartree integrate/restrict (5.75131s) started
T01 << 1462334656.91359997 Hartree integrate/restrict (5.81485s) stopped
T01 >> 1462334656.93458796 Atomic (437.95850s) started
T01 >> 1462334656.94464111 XC Correction (437.09097s) started
T01 << 1462334663.23646903 XC Correction (443.38280s) stopped
T01 << 1462334663.23970294 Atomic (444.26362s) stopped
T01 >> 1462334663.23984909 Communicate (296.16438s) started
T01 << 1462334668.09625006 Communicate (301.02078s) stopped
T01 << 1462334668.09628201 Hamiltonian (1655.96650s) stopped
T01 >> 1462334668.09639001 LCAO eigensolver (602.97127s) started
T01 >> 1462334668.09640503 Potential matrix (18.86167s) started
T01 << 1462334668.35018301 Potential matrix (19.11544s) stopped
T01 >> 1462334668.35025096 DistributedAtomicCorrection (101.71913s) started
T01 << 1462334669.71985102 DistributedAtomicCorrection (103.08873s) stopped
T01 >> 1462334669.71992993 Distribute overlap matrix (82.18260s) started
T01 >> 1462334669.71995306 blocked summation (77.74012s) started
T01 << 1462334670.78268290 blocked summation (78.80285s) stopped
T01 >> 1462334670.78427505 Scalapack redistribute (4.31250s) started
T01 << 1462334670.84211206 Scalapack redistribute (4.37034s) stopped
T01 << 1462334670.84220791 Distribute overlap matrix (83.30488s) stopped
T01 >> 1462334670.84287190 Blacs Orbital Layouts (208.22153s) started
T01 >> 1462334670.84401202 General diagonalize (204.15866s) started
T01 << 1462334673.49036193 General diagonalize (206.80501s) stopped
T01 >> 1462334673.49042106 Redistribute coefs (0.20375s) started
T01 << 1462334673.49402499 Redistribute coefs (0.20736s) stopped
T01 >> 1462334673.49407411 Send coefs to domains (3.73677s) started
T01 << 1462334673.54619694 Send coefs to domains (3.78889s) stopped
T01 << 1462334673.54656506 Blacs Orbital Layouts (210.92522s) stopped
T01 >> 1462334673.54662204 Calculate projections (191.92057s) started
T01 << 1462334676.10818100 Calculate projections (194.48213s) stopped
T01 << 1462334676.10845399 LCAO eigensolver (610.98334s) stopped
T01 >> 1462334676.10920811 Density (145.87731s) started
T01 >> 1462334676.10922098 Pseudo density (120.04573s) started
T01 >> 1462334676.10964799 Calculate density matrix (107.73451s) started
T01 << 1462334677.60722995 Calculate density matrix (109.23209s) stopped
T01 >> 1462334677.60736609 Construct density (12.10706s) started
T01 << 1462334677.77634311 Construct density (12.27604s) stopped
T01 >> 1462334677.77815795 Symmetrize density (0.00301s) started
T01 << 1462334677.77819490 Symmetrize density (0.00305s) stopped
T01 << 1462334677.77864099 Pseudo density (121.71515s) stopped
T01 >> 1462334677.77866602 Atomic density matrices (17.00751s) started
T01 << 1462334678.00827193 Atomic density matrices (17.23712s) stopped
T01 >> 1462334678.00831008 Multipole moments (0.24222s) started
T01 << 1462334678.01200199 Multipole moments (0.24591s) stopped
T01 >> 1462334678.01202393 Normalize (0.07435s) started
T01 << 1462334678.01306391 Normalize (0.07539s) stopped
T01 >> 1462334678.01309800 Mix (8.50311s) started
T01 << 1462334678.13406897 Mix (8.62408s) stopped
T01 << 1462334678.13417101 Density (147.90227s) stopped
T01 >> 1462334678.13427591 Hamiltonian (1655.96651s) started
T01 >> 1462334678.13429594 vbar (0.76774s) started
T01 << 1462334678.14780998 vbar (0.78125s) stopped
T01 >> 1462334678.14791107 XC 3D grid (726.83541s) started
T01 >> 1462334678.32288504 van der Waals (701.15353s) started
T01 >> 1462334678.36622500 semilocal (160.04733s) started
T01 << 1462334680.57923198 semilocal (162.26034s) stopped
T01 >> 1462334680.60790610 redistribute (80.86882s) started
T01 << 1462334680.98999190 redistribute (81.25091s) stopped
T01 >> 1462334680.99005890 libvdwxc nonlocal (454.87862s) started
T01 << 1462334687.38740897 libvdwxc nonlocal (461.27597s) stopped
T01 >> 1462334687.38748693 redistribute (81.25094s) started
T01 << 1462334688.03903604 redistribute (81.90249s) stopped
T01 << 1462334688.04005599 van der Waals (710.87070s) stopped
T01 << 1462334688.20642805 XC 3D grid (736.89393s) stopped
T01 >> 1462334688.20647502 Poisson (175.71921s) started
T01 << 1462334690.48692989 Poisson (177.99966s) stopped
T01 >> 1462334690.48702407 Hartree integrate/restrict (5.81490s) started
T01 << 1462334690.50292492 Hartree integrate/restrict (5.83080s) stopped
T01 >> 1462334690.50297189 Hartree integrate/restrict (5.83083s) started
T01 << 1462334690.56606698 Hartree integrate/restrict (5.89392s) stopped
T01 >> 1462334690.58810592 Atomic (444.26364s) started
T01 >> 1462334690.59815598 XC Correction (443.38282s) started
T01 << 1462334696.88307905 XC Correction (449.66774s) stopped
T01 << 1462334696.88632393 Atomic (450.56185s) stopped
T01 >> 1462334696.88646698 Communicate (301.02080s) started
T01 << 1462334701.91011095 Communicate (306.04445s) stopped
T01 << 1462334701.91014409 Hamiltonian (1679.74238s) stopped
T01 >> 1462334701.91025996 LCAO eigensolver (610.98336s) started
T01 >> 1462334701.91027403 Potential matrix (19.11548s) started
T01 << 1462334702.16676402 Potential matrix (19.37197s) stopped
T01 >> 1462334702.16683197 DistributedAtomicCorrection (103.08876s) started
T01 << 1462334703.53991890 DistributedAtomicCorrection (104.46185s) stopped
T01 >> 1462334703.54000092 Distribute overlap matrix (83.30489s) started
T01 >> 1462334703.54002404 blocked summation (78.80289s) started
T01 << 1462334704.61199307 blocked summation (79.87486s) stopped
T01 >> 1462334704.61356306 Scalapack redistribute (4.37038s) started
T01 << 1462334704.67224693 Scalapack redistribute (4.42906s) stopped
T01 << 1462334704.67234302 Distribute overlap matrix (84.43723s) stopped
T01 >> 1462334704.67300200 Blacs Orbital Layouts (210.92524s) started
T01 >> 1462334704.67414594 General diagonalize (206.80505s) started
T01 << 1462334707.30841088 General diagonalize (209.43931s) stopped
T01 >> 1462334707.30847001 Redistribute coefs (0.20740s) started
T01 << 1462334707.31206203 Redistribute coefs (0.21099s) stopped
T01 >> 1462334707.31210899 Send coefs to domains (3.78897s) started
T01 << 1462334707.36394906 Send coefs to domains (3.84081s) stopped
T01 << 1462334707.36430407 Blacs Orbital Layouts (213.61654s) stopped
T01 >> 1462334707.36436510 Calculate projections (194.48218s) started
T01 << 1462334709.92682195 Calculate projections (197.04464s) stopped
T01 << 1462334709.92709994 LCAO eigensolver (619.00020s) stopped
T01 >> 1462334709.92786098 Density (147.90228s) started
T01 >> 1462334709.92787409 Pseudo density (121.71517s) started
T01 >> 1462334709.92830205 Calculate density matrix (109.23217s) started
T01 << 1462334711.41649103 Calculate density matrix (110.72035s) stopped
T01 >> 1462334711.41662192 Construct density (12.27607s) started
T01 << 1462334711.58550406 Construct density (12.44496s) stopped
T01 >> 1462334711.58729506 Symmetrize density (0.00306s) started
T01 << 1462334711.58733201 Symmetrize density (0.00310s) stopped
T01 << 1462334711.58778906 Pseudo density (123.37508s) stopped
T01 >> 1462334711.58781004 Atomic density matrices (17.23715s) started
T01 << 1462334711.81788492 Atomic density matrices (17.46722s) stopped
T01 >> 1462334711.81792402 Multipole moments (0.24592s) started
T01 << 1462334711.82166290 Multipole moments (0.24966s) stopped
T01 >> 1462334711.82168603 Normalize (0.07542s) started
T01 << 1462334711.82272696 Normalize (0.07646s) stopped
T01 >> 1462334711.82276297 Mix (8.62418s) started
T01 << 1462334711.94269204 Mix (8.74411s) stopped
T01 << 1462334711.94279003 Density (149.91721s) stopped
T01 >> 1462334711.94288397 Hamiltonian (1679.74239s) started
T01 >> 1462334711.94290209 vbar (0.78131s) started
T01 << 1462334711.95598507 vbar (0.79439s) stopped
T01 >> 1462334711.95605803 XC 3D grid (736.89397s) started
T01 >> 1462334712.13142395 van der Waals (710.87075s) started
T01 >> 1462334712.17425394 semilocal (162.26044s) started
T01 << 1462334714.39723301 semilocal (164.48342s) stopped
T01 >> 1462334714.42853594 redistribute (81.90259s) started
T01 << 1462334714.80086493 redistribute (82.27492s) stopped
T01 >> 1462334714.80093098 libvdwxc nonlocal (461.27601s) started
T01 << 1462334721.21108294 libvdwxc nonlocal (467.68617s) stopped
T01 >> 1462334721.21117210 redistribute (82.27496s) started
T01 << 1462334721.86049008 redistribute (82.92428s) stopped
T01 << 1462334721.86189699 van der Waals (720.60123s) stopped
T01 << 1462334722.03330112 XC 3D grid (746.97121s) stopped
T01 >> 1462334722.03335094 Poisson (177.99973s) started
T01 << 1462334724.32469296 Poisson (180.29108s) stopped
T01 >> 1462334724.32479000 Hartree integrate/restrict (5.89396s) started
T01 << 1462334724.34051609 Hartree integrate/restrict (5.90968s) stopped
T01 >> 1462334724.34057498 Hartree integrate/restrict (5.90973s) started
T01 << 1462334724.40341210 Hartree integrate/restrict (5.97256s) stopped
T01 >> 1462334724.42495298 Atomic (450.56187s) started
T01 >> 1462334724.43502402 XC Correction (449.66777s) started
T01 << 1462334730.72862697 XC Correction (455.96137s) stopped
T01 << 1462334730.73188591 Atomic (456.86880s) stopped
T01 >> 1462334730.73202991 Communicate (306.04447s) started
T01 << 1462334735.72111297 Communicate (311.03355s) stopped
T01 << 1462334735.72115493 Hamiltonian (1703.52066s) stopped
T01 >> 1462334735.72129798 LCAO eigensolver (619.00022s) started
T01 >> 1462334735.72131395 Potential matrix (19.37200s) started
T01 << 1462334735.97633195 Potential matrix (19.62702s) stopped
T01 >> 1462334735.97639894 DistributedAtomicCorrection (104.46188s) started
T01 << 1462334737.34948611 DistributedAtomicCorrection (105.83497s) stopped
T01 >> 1462334737.34956789 Distribute overlap matrix (84.43725s) started
T01 >> 1462334737.34959006 blocked summation (79.87490s) started
T01 << 1462334738.40596390 blocked summation (80.93127s) stopped
T01 >> 1462334738.40770102 Scalapack redistribute (4.42909s) started
T01 << 1462334738.46755791 Scalapack redistribute (4.48895s) stopped
T01 << 1462334738.46765709 Distribute overlap matrix (85.55534s) stopped
T01 >> 1462334738.46830010 Blacs Orbital Layouts (213.61656s) started
T01 >> 1462334738.47011805 General diagonalize (209.43935s) started
T01 << 1462334741.09704089 General diagonalize (212.06628s) stopped
T01 >> 1462334741.09710193 Redistribute coefs (0.21103s) started
T01 << 1462334741.10023403 Redistribute coefs (0.21416s) stopped
T01 >> 1462334741.10028100 Send coefs to domains (3.84088s) started
T01 << 1462334741.15233493 Send coefs to domains (3.89294s) stopped
T01 << 1462334741.15295696 Blacs Orbital Layouts (216.30122s) stopped
T01 >> 1462334741.15301609 Calculate projections (197.04470s) started
T01 << 1462334743.71449208 Calculate projections (199.60617s) stopped
T01 << 1462334743.71475601 LCAO eigensolver (626.99367s) stopped
T01 >> 1462334743.71548200 Density (149.91723s) started
T01 >> 1462334743.71549511 Pseudo density (123.37510s) started
T01 >> 1462334743.71593308 Calculate density matrix (110.72043s) started
T01 << 1462334745.20551896 Calculate density matrix (112.21001s) stopped
T01 >> 1462334745.20565295 Construct density (12.44500s) started
T01 << 1462334745.37475395 Construct density (12.61410s) stopped
T01 >> 1462334745.37710690 Symmetrize density (0.00311s) started
T01 << 1462334745.37714601 Symmetrize density (0.00315s) stopped
T01 << 1462334745.37758398 Pseudo density (125.03718s) stopped
T01 >> 1462334745.37760592 Atomic density matrices (17.46725s) started
T01 << 1462334745.60902190 Atomic density matrices (17.69866s) stopped
T01 >> 1462334745.60906100 Multipole moments (0.24968s) started
T01 << 1462334745.61276293 Multipole moments (0.25338s) stopped
T01 >> 1462334745.61278605 Normalize (0.07648s) started
T01 << 1462334745.61382890 Normalize (0.07753s) stopped
T01 >> 1462334745.61386490 Mix (8.74420s) started
T01 << 1462334745.73366189 Mix (8.86400s) stopped
T01 << 1462334745.73376298 Density (151.93551s) stopped
T01 >> 1462334745.73387194 Hamiltonian (1703.52067s) started
T01 >> 1462334745.73389196 vbar (0.79443s) started
T01 << 1462334745.74711490 vbar (0.80766s) stopped
T01 >> 1462334745.74719501 XC 3D grid (746.97125s) started
T01 >> 1462334745.92626691 van der Waals (720.60135s) started
T01 >> 1462334745.96851206 semilocal (164.48347s) started
T01 << 1462334748.18542790 semilocal (166.70039s) stopped
T01 >> 1462334748.21453404 redistribute (82.92434s) started
T01 << 1462334748.59658289 redistribute (83.30638s) stopped
T01 >> 1462334748.59665203 libvdwxc nonlocal (467.68622s) started
T01 << 1462334754.99382591 libvdwxc nonlocal (474.08339s) stopped
T01 >> 1462334754.99391603 redistribute (83.30642s) started
T01 << 1462334755.63045311 redistribute (83.94296s) stopped
T01 << 1462334755.63157797 van der Waals (730.30666s) stopped
T01 << 1462334755.80713296 XC 3D grid (757.03119s) stopped
T01 >> 1462334755.80718398 Poisson (180.29115s) started
T01 << 1462334758.08978605 Poisson (182.57375s) stopped
T01 >> 1462334758.08988190 Hartree integrate/restrict (5.97260s) started
T01 << 1462334758.10574508 Hartree integrate/restrict (5.98846s) stopped
T01 >> 1462334758.10578990 Hartree integrate/restrict (5.98849s) started
T01 << 1462334758.16735005 Hartree integrate/restrict (6.05005s) stopped
T01 >> 1462334758.19073701 Atomic (456.86882s) started
T01 >> 1462334758.20082307 XC Correction (455.96140s) started
T01 << 1462334764.54144192 XC Correction (462.30202s) stopped
T01 << 1462334764.54466105 Atomic (463.22275s) stopped
T01 >> 1462334764.54481101 Communicate (311.03358s) started
T01 << 1462334769.47811508 Communicate (315.96689s) stopped
T01 << 1462334769.47814298 Hamiltonian (1727.26495s) stopped
T01 >> 1462334769.47824097 LCAO eigensolver (626.99369s) started
T01 >> 1462334769.47825599 Potential matrix (19.62705s) started
T01 << 1462334769.73495102 Potential matrix (19.88375s) stopped
T01 >> 1462334769.73501801 DistributedAtomicCorrection (105.83501s) started
T01 << 1462334771.09066391 DistributedAtomicCorrection (107.19065s) stopped
T01 >> 1462334771.09074593 Distribute overlap matrix (85.55535s) started
T01 >> 1462334771.09076905 blocked summation (80.93131s) started
T01 << 1462334772.17344499 blocked summation (82.01398s) stopped
T01 >> 1462334772.17510200 Scalapack redistribute (4.48899s) started
T01 << 1462334772.23379111 Scalapack redistribute (4.54768s) stopped
T01 << 1462334772.23389101 Distribute overlap matrix (86.69849s) stopped
T01 >> 1462334772.23454905 Blacs Orbital Layouts (216.30123s) started
T01 >> 1462334772.23569202 General diagonalize (212.06631s) started
T01 << 1462334774.86034894 General diagonalize (214.69097s) stopped
T01 >> 1462334774.86040902 Redistribute coefs (0.21419s) started
T01 << 1462334774.86412406 Redistribute coefs (0.21791s) stopped
T01 >> 1462334774.86417103 Send coefs to domains (3.89302s) started
T01 << 1462334774.91707993 Send coefs to domains (3.94592s) stopped
T01 << 1462334774.91746593 Blacs Orbital Layouts (218.98415s) stopped
T01 >> 1462334774.91752601 Calculate projections (199.60622s) started
T01 << 1462334777.47896409 Calculate projections (202.16766s) stopped
T01 << 1462334777.47923803 LCAO eigensolver (634.99469s) stopped
T01 >> 1462334777.47995901 Density (151.93553s) started
T01 >> 1462334777.47997093 Pseudo density (125.03720s) started
T01 >> 1462334777.48039794 Calculate density matrix (112.21008s) started
T01 << 1462334778.96969390 Calculate density matrix (113.69938s) stopped
T01 >> 1462334778.96982408 Construct density (12.61413s) started
T01 << 1462334779.13881707 Construct density (12.78312s) stopped
T01 >> 1462334779.14027309 Symmetrize density (0.00316s) started
T01 << 1462334779.14031005 Symmetrize density (0.00320s) stopped
T01 << 1462334779.14076710 Pseudo density (126.69800s) stopped
T01 >> 1462334779.14078903 Atomic density matrices (17.69869s) started
T01 << 1462334779.37306905 Atomic density matrices (17.93097s) stopped
T01 >> 1462334779.37310791 Multipole moments (0.25340s) started
T01 << 1462334779.37680507 Multipole moments (0.25709s) stopped
T01 >> 1462334779.37682796 Normalize (0.07755s) started
T01 << 1462334779.37787604 Normalize (0.07860s) stopped
T01 >> 1462334779.37790990 Mix (8.86409s) started
T01 << 1462334779.50514603 Mix (8.99133s) stopped
T01 << 1462334779.50524592 Density (153.96081s) stopped
T01 >> 1462334779.50535202 Hamiltonian (1727.26496s) started
T01 >> 1462334779.50537205 vbar (0.80770s) started
T01 << 1462334779.51853895 vbar (0.82087s) stopped
T01 >> 1462334779.51861691 XC 3D grid (757.03123s) started
T01 >> 1462334779.69633293 van der Waals (730.30673s) started
T01 >> 1462334779.73776007 semilocal (166.70045s) started
T01 << 1462334781.95109892 semilocal (168.91379s) stopped
T01 >> 1462334781.98022103 redistribute (83.94300s) started
T01 << 1462334782.35491896 redistribute (84.31770s) stopped
T01 >> 1462334782.35498500 libvdwxc nonlocal (474.08344s) started
T01 << 1462334788.75023508 libvdwxc nonlocal (480.47869s) stopped
T01 >> 1462334788.75032210 redistribute (84.31774s) started
T01 << 1462334789.40087199 redistribute (84.96829s) stopped
T01 << 1462334789.40212202 van der Waals (740.01252s) stopped
T01 << 1462334789.57348990 XC 3D grid (767.08610s) stopped
T01 >> 1462334789.57354212 Poisson (182.57382s) started
T01 << 1462334791.85388207 Poisson (184.85416s) stopped
T01 >> 1462334791.85398698 Hartree integrate/restrict (6.05008s) started
T01 << 1462334791.86982298 Hartree integrate/restrict (6.06592s) stopped
T01 >> 1462334791.86987996 Hartree integrate/restrict (6.06596s) started
T01 << 1462334791.93236709 Hartree integrate/restrict (6.12844s) stopped
T01 >> 1462334791.95473695 Atomic (463.22276s) started
T01 >> 1462334791.96483898 XC Correction (462.30204s) started
T01 << 1462334798.24793696 XC Correction (468.58514s) stopped
T01 << 1462334798.25117397 Atomic (469.51920s) stopped
T01 >> 1462334798.25132298 Communicate (315.96691s) started
T01 << 1462334803.30838108 Communicate (321.02396s) stopped
T01 << 1462334803.30840993 Hamiltonian (1751.06802s) stopped
T01 >> 1462334803.30850792 LCAO eigensolver (634.99471s) started
T01 >> 1462334803.30852294 Potential matrix (19.88378s) started
T01 << 1462334803.56244898 Potential matrix (20.13771s) stopped
T01 >> 1462334803.56251502 DistributedAtomicCorrection (107.19069s) started
T01 << 1462334804.91610408 DistributedAtomicCorrection (108.54428s) stopped
T01 >> 1462334804.91618490 Distribute overlap matrix (86.69851s) started
T01 >> 1462334804.91620803 blocked summation (82.01403s) started
T01 << 1462334806.01600909 blocked summation (83.11383s) stopped
T01 >> 1462334806.01773906 Scalapack redistribute (4.54771s) started
T01 << 1462334806.07485390 Scalapack redistribute (4.60483s) stopped
T01 << 1462334806.07495308 Distribute overlap matrix (87.85727s) stopped
T01 >> 1462334806.07559991 Blacs Orbital Layouts (218.98417s) started
T01 >> 1462334806.07717204 General diagonalize (214.69101s) started
T01 << 1462334808.71632504 General diagonalize (217.33016s) stopped
T01 >> 1462334808.71638489 Redistribute coefs (0.21795s) started
T01 << 1462334808.71949792 Redistribute coefs (0.22106s) stopped
T01 >> 1462334808.71954489 Send coefs to domains (3.94600s) started
T01 << 1462334808.77111292 Send coefs to domains (3.99757s) stopped
T01 << 1462334808.77174497 Blacs Orbital Layouts (221.68031s) stopped
T01 >> 1462334808.77180099 Calculate projections (202.16772s) started
T01 << 1462334811.33322811 Calculate projections (204.72914s) stopped
T01 << 1462334811.33349800 LCAO eigensolver (643.01970s) stopped
T01 >> 1462334811.33424592 Density (153.96083s) started
T01 >> 1462334811.33425903 Pseudo density (126.69801s) started
T01 >> 1462334811.33469105 Calculate density matrix (113.69945s) started
T01 << 1462334812.82728004 Calculate density matrix (115.19204s) stopped
T01 >> 1462334812.82741499 Construct density (12.78319s) started
T01 << 1462334812.99642205 Construct density (12.95220s) stopped
T01 >> 1462334812.99880099 Symmetrize density (0.00321s) started
T01 << 1462334812.99883890 Symmetrize density (0.00325s) stopped
T01 << 1462334812.99928403 Pseudo density (128.36304s) stopped
T01 >> 1462334812.99930406 Atomic density matrices (17.93100s) started
T01 << 1462334813.23181009 Atomic density matrices (18.16350s) stopped
T01 >> 1462334813.23184896 Multipole moments (0.25711s) started
T01 << 1462334813.23556995 Multipole moments (0.26083s) stopped
T01 >> 1462334813.23559189 Normalize (0.07863s) started
T01 << 1462334813.23662806 Normalize (0.07966s) stopped
T01 >> 1462334813.23666692 Mix (8.99142s) started
T01 << 1462334813.35657811 Mix (9.11133s) stopped
T01 << 1462334813.35667610 Density (155.98326s) stopped
T01 >> 1462334813.35677600 Hamiltonian (1751.06803s) started
T01 >> 1462334813.35679507 vbar (0.82091s) started
T01 << 1462334813.37028193 vbar (0.83440s) stopped
T01 >> 1462334813.37034988 XC 3D grid (767.08614s) started
T01 >> 1462334813.55143189 van der Waals (740.01260s) started
T01 >> 1462334813.59189105 semilocal (168.91384s) started
T01 << 1462334815.80225205 semilocal (171.12420s) stopped
T01 >> 1462334815.83161092 redistribute (84.96840s) started
T01 << 1462334816.21542907 redistribute (85.35222s) stopped
T01 >> 1462334816.21549702 libvdwxc nonlocal (480.47874s) started
T01 << 1462334822.61591911 libvdwxc nonlocal (486.87917s) stopped
T01 >> 1462334822.61598897 redistribute (85.35225s) started
T01 << 1462334823.26557994 redistribute (86.00185s) stopped
T01 << 1462334823.26679611 van der Waals (749.72796s) stopped
T01 << 1462334823.43762302 XC 3D grid (777.15341s) stopped
T01 >> 1462334823.43767691 Poisson (184.85424s) started
T01 << 1462334825.72972202 Poisson (187.14628s) stopped
T01 >> 1462334825.72982001 Hartree integrate/restrict (6.12848s) started
T01 << 1462334825.74568796 Hartree integrate/restrict (6.14434s) stopped
T01 >> 1462334825.74574590 Hartree integrate/restrict (6.14438s) started
T01 << 1462334825.80916691 Hartree integrate/restrict (6.20781s) stopped
T01 >> 1462334825.83125305 Atomic (469.51922s) started
T01 >> 1462334825.84128690 XC Correction (468.58516s) started
T01 << 1462334832.18001604 XC Correction (474.92389s) stopped
T01 << 1462334832.18324709 Atomic (475.87121s) stopped
T01 >> 1462334832.18339205 Communicate (321.02398s) started
T01 << 1462334837.11536288 Communicate (325.95595s) stopped
T01 << 1462334837.11539102 Hamiltonian (1774.82664s) stopped
T01 >> 1462334837.11548901 LCAO eigensolver (643.01972s) started
T01 >> 1462334837.11550307 Potential matrix (20.13774s) started
T01 << 1462334837.36898208 Potential matrix (20.39122s) stopped
T01 >> 1462334837.36905098 DistributedAtomicCorrection (108.54431s) started
T01 << 1462334838.74218512 DistributedAtomicCorrection (109.91744s) stopped
T01 >> 1462334838.74226689 Distribute overlap matrix (87.85729s) started
T01 >> 1462334838.74229002 blocked summation (83.11386s) started
T01 << 1462334839.81245708 blocked summation (84.18403s) stopped
T01 >> 1462334839.81419396 Scalapack redistribute (4.60487s) started
T01 << 1462334839.87204599 Scalapack redistribute (4.66272s) stopped
T01 << 1462334839.87214708 Distribute overlap matrix (88.98717s) stopped
T01 >> 1462334839.87281609 Blacs Orbital Layouts (221.68033s) started
T01 >> 1462334839.87437606 General diagonalize (217.33020s) started
T01 << 1462334842.50395489 General diagonalize (219.95978s) stopped
T01 >> 1462334842.50401497 Redistribute coefs (0.22110s) started
T01 << 1462334842.50713301 Redistribute coefs (0.22421s) stopped
T01 >> 1462334842.50717807 Send coefs to domains (3.99764s) started
T01 << 1462334842.55773711 Send coefs to domains (4.04820s) stopped
T01 << 1462334842.55828404 Blacs Orbital Layouts (224.36580s) stopped
T01 >> 1462334842.55834603 Calculate projections (204.72920s) started
T01 << 1462334845.11976194 Calculate projections (207.29061s) stopped
T01 << 1462334845.12006903 LCAO eigensolver (651.02430s) stopped
T01 >> 1462334845.12080693 Density (155.98328s) started
T01 >> 1462334845.12082005 Pseudo density (128.36305s) started
T01 >> 1462334845.12124491 Calculate density matrix (115.19211s) started
T01 << 1462334846.61022711 Calculate density matrix (116.68110s) stopped
T01 >> 1462334846.61035991 Construct density (12.95224s) started
T01 << 1462334846.77941203 Construct density (13.12129s) stopped
T01 >> 1462334846.78176188 Symmetrize density (0.00326s) started
T01 << 1462334846.78180003 Symmetrize density (0.00330s) stopped
T01 << 1462334846.78224397 Pseudo density (130.02448s) stopped
T01 >> 1462334846.78226399 Atomic density matrices (18.16353s) started
T01 << 1462334847.01410294 Atomic density matrices (18.39537s) stopped
T01 >> 1462334847.01414204 Multipole moments (0.26085s) started
T01 << 1462334847.01787901 Multipole moments (0.26458s) stopped
T01 >> 1462334847.01790190 Normalize (0.07969s) started
T01 << 1462334847.01894403 Normalize (0.08073s) stopped
T01 >> 1462334847.01898003 Mix (9.11143s) started
T01 << 1462334847.13871408 Mix (9.23116s) stopped
T01 << 1462334847.13881993 Density (158.00129s) stopped
T01 >> 1462334847.13892388 Hamiltonian (1774.82666s) started
T01 >> 1462334847.13894296 vbar (0.83444s) started
T01 << 1462334847.15224409 vbar (0.84774s) stopped
T01 >> 1462334847.15232396 XC 3D grid (777.15345s) started
T01 >> 1462334847.33051205 van der Waals (749.72805s) started
T01 >> 1462334847.37160993 semilocal (171.12431s) started
T01 << 1462334849.58337092 semilocal (173.33607s) stopped
T01 >> 1462334849.61258101 redistribute (86.00197s) started
T01 << 1462334850.00144005 redistribute (86.39083s) stopped
T01 >> 1462334850.00150609 libvdwxc nonlocal (486.87920s) started
T01 << 1462334856.38426495 libvdwxc nonlocal (493.26196s) stopped
T01 >> 1462334856.38435411 redistribute (86.39086s) started
T01 << 1462334857.03509402 redistribute (87.04160s) stopped
T01 << 1462334857.03633809 van der Waals (759.43388s) stopped
T01 << 1462334857.20521998 XC 3D grid (787.20635s) stopped
T01 >> 1462334857.20527911 Poisson (187.14636s) started
T01 << 1462334858.92887712 Poisson (188.86996s) stopped
T01 >> 1462334858.92897511 Hartree integrate/restrict (6.20784s) started
T01 << 1462334858.94475508 Hartree integrate/restrict (6.22362s) stopped
T01 >> 1462334858.94481397 Hartree integrate/restrict (6.22366s) started
T01 << 1462334859.00704694 Hartree integrate/restrict (6.28589s) stopped
T01 >> 1462334859.02864194 Atomic (475.87123s) started
T01 >> 1462334859.03860593 XC Correction (474.92391s) started
T01 << 1462334865.32192302 XC Correction (481.20723s) stopped
T01 << 1462334865.32513809 Atomic (482.16773s) stopped
T01 >> 1462334865.32528210 Communicate (325.95597s) started
T01 << 1462334870.28546691 Communicate (330.91616s) stopped
T01 << 1462334870.28549504 Hamiltonian (1797.97323s) stopped
T01 >> 1462334870.28559399 LCAO eigensolver (651.02432s) started
T01 >> 1462334870.28560901 Potential matrix (20.39125s) started
T01 << 1462334870.53903699 Potential matrix (20.64468s) stopped
T01 >> 1462334870.53910398 DistributedAtomicCorrection (109.91748s) started
T01 << 1462334871.91040707 DistributedAtomicCorrection (111.28878s) stopped
T01 >> 1462334871.91048908 Distribute overlap matrix (88.98718s) started
T01 >> 1462334871.91051197 blocked summation (84.18407s) started
T01 << 1462334872.98948193 blocked summation (85.26304s) stopped
T01 >> 1462334872.99109912 Scalapack redistribute (4.66276s) started
T01 << 1462334873.04971790 Scalapack redistribute (4.72138s) stopped
T01 << 1462334873.04981709 Distribute overlap matrix (90.12651s) stopped
T01 >> 1462334873.05046892 Blacs Orbital Layouts (224.36582s) started
T01 >> 1462334873.05160594 General diagonalize (219.95982s) started
T01 << 1462334875.69378591 General diagonalize (222.60200s) stopped
T01 >> 1462334875.69384599 Redistribute coefs (0.22425s) started
T01 << 1462334875.69767594 Redistribute coefs (0.22808s) stopped
T01 >> 1462334875.69772291 Send coefs to domains (4.04828s) started
T01 << 1462334875.74818397 Send coefs to domains (4.09874s) stopped
T01 << 1462334875.74854994 Blacs Orbital Layouts (227.06390s) stopped
T01 >> 1462334875.74861598 Calculate projections (207.29070s) started
T01 << 1462334878.31000710 Calculate projections (209.85209s) stopped
T01 << 1462334878.31028008 LCAO eigensolver (659.04900s) stopped
T01 >> 1462334878.31102300 Density (158.00131s) started
T01 >> 1462334878.31103611 Pseudo density (130.02449s) started
T01 >> 1462334878.31146002 Calculate density matrix (116.68117s) started
T01 << 1462334879.80055094 Calculate density matrix (118.17026s) stopped
T01 >> 1462334879.80068994 Construct density (13.12133s) started
T01 << 1462334879.96964788 Construct density (13.29028s) stopped
T01 >> 1462334879.97145200 Symmetrize density (0.00332s) started
T01 << 1462334879.97148895 Symmetrize density (0.00335s) stopped
T01 << 1462334879.97194195 Pseudo density (131.68540s) stopped
T01 >> 1462334879.97196198 Atomic density matrices (18.39540s) started
T01 << 1462334880.20405698 Atomic density matrices (18.62749s) stopped
T01 >> 1462334880.20409489 Multipole moments (0.26460s) started
T01 << 1462334880.20777702 Multipole moments (0.26828s) stopped
T01 >> 1462334880.20779991 Normalize (0.08076s) started
T01 << 1462334880.20884609 Normalize (0.08181s) stopped
T01 >> 1462334880.20888090 Mix (9.23126s) started
T01 << 1462334880.32907891 Mix (9.35146s) stopped
T01 << 1462334880.32918096 Density (160.01946s) stopped
T01 >> 1462334880.32929897 Hamiltonian (1797.97324s) started
T01 >> 1462334880.32931995 vbar (0.84778s) started
T01 << 1462334880.34243393 vbar (0.86090s) stopped
T01 >> 1462334880.34253597 XC 3D grid (787.20639s) started
T01 >> 1462334880.51724696 van der Waals (759.43397s) started
T01 >> 1462334880.55831695 semilocal (173.33613s) started
T01 << 1462334882.76066399 semilocal (175.53847s) stopped
T01 >> 1462334882.79047799 redistribute (87.04169s) started
T01 << 1462334883.18562198 redistribute (87.43683s) stopped
T01 >> 1462334883.18569112 libvdwxc nonlocal (493.26201s) started
T01 << 1462334889.59414291 libvdwxc nonlocal (499.67046s) stopped
T01 >> 1462334889.59421301 redistribute (87.43687s) started
T01 << 1462334890.23490000 redistribute (88.07756s) stopped
T01 << 1462334890.23659396 van der Waals (769.15331s) stopped
T01 << 1462334890.41180992 XC 3D grid (797.27567s) stopped
T01 >> 1462334890.41185498 Poisson (188.87003s) started
T01 << 1462334892.13599110 Poisson (190.59417s) stopped
T01 >> 1462334892.13608289 Hartree integrate/restrict (6.28592s) started
T01 << 1462334892.15185690 Hartree integrate/restrict (6.30170s) stopped
T01 >> 1462334892.15191603 Hartree integrate/restrict (6.30174s) started
T01 << 1462334892.21283293 Hartree integrate/restrict (6.36266s) stopped
T01 >> 1462334892.23737192 Atomic (482.16774s) started
T01 >> 1462334892.24729991 XC Correction (481.20725s) started
T01 << 1462334898.53545499 XC Correction (487.49541s) stopped
T01 << 1462334898.53867197 Atomic (488.46904s) stopped
T01 >> 1462334898.53881788 Communicate (330.91618s) started
T01 << 1462334903.39072704 Communicate (335.76808s) stopped
T01 << 1462334903.39075398 Hamiltonian (1821.03470s) stopped
T01 >> 1462334903.39084911 LCAO eigensolver (659.04902s) started
T01 >> 1462334903.39086294 Potential matrix (20.64471s) started
T01 << 1462334903.64584494 Potential matrix (20.89969s) stopped
T01 >> 1462334903.64591098 DistributedAtomicCorrection (111.28882s) started
T01 << 1462334905.01522493 DistributedAtomicCorrection (112.65813s) stopped
T01 >> 1462334905.01530600 Distribute overlap matrix (90.12652s) started
T01 >> 1462334905.01532888 blocked summation (85.26307s) started
T01 << 1462334906.08242393 blocked summation (86.33017s) stopped
T01 >> 1462334906.08403897 Scalapack redistribute (4.72141s) started
T01 << 1462334906.14179802 Scalapack redistribute (4.77917s) stopped
T01 << 1462334906.14189601 Distribute overlap matrix (91.25311s) stopped
T01 >> 1462334906.14255309 Blacs Orbital Layouts (227.06391s) started
T01 >> 1462334906.14369202 General diagonalize (222.60204s) started
T01 << 1462334908.77311993 General diagonalize (225.23147s) stopped
T01 >> 1462334908.77319407 Redistribute coefs (0.22812s) started
T01 << 1462334908.77688003 Redistribute coefs (0.23180s) stopped
T01 >> 1462334908.77692699 Send coefs to domains (4.09882s) started
T01 << 1462334908.82919312 Send coefs to domains (4.15108s) stopped
T01 << 1462334908.82956910 Blacs Orbital Layouts (229.75093s) stopped
T01 >> 1462334908.82963300 Calculate projections (209.85215s) started
T01 << 1462334911.39112997 Calculate projections (212.41365s) stopped
T01 << 1462334911.39139199 LCAO eigensolver (667.04956s) stopped
T01 >> 1462334911.39230108 Density (160.01948s) started
T01 >> 1462334911.39231396 Pseudo density (131.68541s) started
T01 >> 1462334911.39274502 Calculate density matrix (118.17033s) started
T01 << 1462334912.88696504 Calculate density matrix (119.66455s) stopped
T01 >> 1462334912.88710189 Construct density (13.29032s) started
T01 << 1462334913.05589008 Construct density (13.45911s) stopped
T01 >> 1462334913.05841589 Symmetrize density (0.00337s) started
T01 << 1462334913.05845499 Symmetrize density (0.00340s) stopped
T01 << 1462334913.05890799 Pseudo density (133.35201s) stopped
T01 >> 1462334913.05892801 Atomic density matrices (18.62752s) started
T01 << 1462334913.29027891 Atomic density matrices (18.85887s) stopped
T01 >> 1462334913.29031706 Multipole moments (0.26830s) started
T01 << 1462334913.29402709 Multipole moments (0.27201s) stopped
T01 >> 1462334913.29404902 Normalize (0.08183s) started
T01 << 1462334913.29508710 Normalize (0.08287s) stopped
T01 >> 1462334913.29512310 Mix (9.35156s) started
T01 << 1462334913.41425204 Mix (9.47069s) stopped
T01 << 1462334913.41433907 Density (162.04152s) stopped
T01 >> 1462334913.41443801 Hamiltonian (1821.03471s) started
T01 >> 1462334913.41445708 vbar (0.86096s) started
T01 << 1462334913.42792201 vbar (0.87442s) stopped
T01 >> 1462334913.42798710 XC 3D grid (797.27570s) started
T01 >> 1462334913.60205889 van der Waals (769.15340s) started
T01 >> 1462334913.64532900 semilocal (175.53853s) started
T01 << 1462334915.86365104 semilocal (177.75685s) stopped
T01 >> 1462334915.89381194 redistribute (88.07766s) started
T01 << 1462334916.28612900 redistribute (88.46998s) stopped
T01 >> 1462334916.28619504 libvdwxc nonlocal (499.67050s) started
T01 << 1462334922.69690299 libvdwxc nonlocal (506.08121s) stopped
T01 >> 1462334922.69699502 redistribute (88.47002s) started
T01 << 1462334923.33984303 redistribute (89.11286s) stopped
T01 << 1462334923.34167409 van der Waals (778.89301s) stopped
T01 << 1462334923.51230311 XC 3D grid (807.36002s) stopped
T01 >> 1462334923.51234889 Poisson (190.59423s) started
T01 << 1462334925.23246408 Poisson (192.31435s) stopped
T01 >> 1462334925.23255992 Hartree integrate/restrict (6.36270s) started
T01 << 1462334925.24845099 Hartree integrate/restrict (6.37859s) stopped
T01 >> 1462334925.24850607 Hartree integrate/restrict (6.37863s) started
T01 << 1462334925.31038499 Hartree integrate/restrict (6.44050s) stopped
T01 >> 1462334925.33246803 Atomic (488.46906s) started
T01 >> 1462334925.34235907 XC Correction (487.49543s) started
T01 << 1462334931.62731695 XC Correction (493.78039s) stopped
T01 << 1462334931.63052607 Atomic (494.76712s) stopped
T01 >> 1462334931.63067603 Communicate (335.76810s) started
T01 << 1462334936.50851893 Communicate (340.64595s) stopped
T01 << 1462334936.50854492 Hamiltonian (1844.12882s) stopped
T01 >> 1462334936.50864601 LCAO eigensolver (667.04959s) started
T01 >> 1462334936.50866103 Potential matrix (20.89973s) started
T01 << 1462334936.76221108 Potential matrix (21.15328s) stopped
T01 >> 1462334936.76227903 DistributedAtomicCorrection (112.65816s) started
T01 << 1462334938.13575196 DistributedAtomicCorrection (114.03164s) stopped
T01 >> 1462334938.13583302 Distribute overlap matrix (91.25312s) started
T01 >> 1462334938.13585591 blocked summation (86.33021s) started
T01 << 1462334939.20332193 blocked summation (87.39767s) stopped
T01 >> 1462334939.20495105 Scalapack redistribute (4.77921s) started
T01 << 1462334939.26342297 Scalapack redistribute (4.83768s) stopped
T01 << 1462334939.26352000 Distribute overlap matrix (92.38081s) stopped
T01 >> 1462334939.26417899 Blacs Orbital Layouts (229.75095s) started
T01 >> 1462334939.26532102 General diagonalize (225.23152s) started
T01 << 1462334941.92429399 General diagonalize (227.89049s) stopped
T01 >> 1462334941.92435288 Redistribute coefs (0.23184s) started
T01 << 1462334941.92803311 Redistribute coefs (0.23552s) stopped
T01 >> 1462334941.92808008 Send coefs to domains (4.15117s) started
T01 << 1462334941.98067307 Send coefs to domains (4.20376s) stopped
T01 << 1462334941.98104310 Blacs Orbital Layouts (232.46781s) stopped
T01 >> 1462334941.98110700 Calculate projections (212.41370s) started
T01 << 1462334944.54262710 Calculate projections (214.97522s) stopped
T01 << 1462334944.54289198 LCAO eigensolver (675.08383s) stopped
T01 >> 1462334944.54381299 Density (162.04154s) started
T01 >> 1462334944.54382610 Pseudo density (133.35202s) started
T01 >> 1462334944.54425311 Calculate density matrix (119.66462s) started
T01 << 1462334946.03616691 Calculate density matrix (121.15653s) stopped
T01 >> 1462334946.03629589 Construct density (13.45915s) started
T01 << 1462334946.20518589 Construct density (13.62804s) stopped
T01 >> 1462334946.20772791 Symmetrize density (0.00342s) started
T01 << 1462334946.20776701 Symmetrize density (0.00346s) stopped
T01 << 1462334946.20821095 Pseudo density (135.01641s) stopped
T01 >> 1462334946.20823097 Atomic density matrices (18.85889s) started
T01 << 1462334946.43970394 Atomic density matrices (19.09037s) stopped
T01 >> 1462334946.43974304 Multipole moments (0.27202s) started
T01 << 1462334946.44342303 Multipole moments (0.27570s) stopped
T01 >> 1462334946.44344497 Normalize (0.08290s) started
T01 << 1462334946.44447708 Normalize (0.08393s) stopped
T01 >> 1462334946.44451308 Mix (9.47077s) started
T01 << 1462334946.56429410 Mix (9.59055s) stopped
T01 << 1462334946.56439304 Density (164.06212s) stopped
T01 >> 1462334946.56450295 Hamiltonian (1844.12883s) started
T01 >> 1462334946.56452203 vbar (0.87446s) started
T01 << 1462334946.57824612 vbar (0.88818s) stopped
T01 >> 1462334946.57832003 XC 3D grid (807.36005s) started
T01 >> 1462334946.75548410 van der Waals (778.89307s) started
T01 >> 1462334946.79711008 semilocal (177.75693s) started
T01 << 1462334949.00580311 semilocal (179.96562s) stopped
T01 >> 1462334949.03514600 redistribute (89.11299s) started
T01 << 1462334949.41759610 redistribute (89.49544s) stopped
T01 >> 1462334949.41766596 libvdwxc nonlocal (506.08126s) started
T01 << 1462334955.86604810 libvdwxc nonlocal (512.52964s) stopped
T01 >> 1462334955.86613607 redistribute (89.49548s) started
T01 << 1462334956.50488591 redistribute (90.13423s) stopped
T01 << 1462334956.50649691 van der Waals (788.64408s) stopped
T01 << 1462334956.67889500 XC 3D grid (817.46063s) stopped
T01 >> 1462334956.67894602 Poisson (192.31442s) started
T01 << 1462334958.40259695 Poisson (194.03807s) stopped
T01 >> 1462334958.40269995 Hartree integrate/restrict (6.44055s) started
T01 << 1462334958.41853189 Hartree integrate/restrict (6.45638s) stopped
T01 >> 1462334958.41859794 Hartree integrate/restrict (6.45643s) started
T01 << 1462334958.47984505 Hartree integrate/restrict (6.51767s) stopped
T01 >> 1462334958.50235391 Atomic (494.76714s) started
T01 >> 1462334958.51227689 XC Correction (493.78041s) started
T01 << 1462334964.77631807 XC Correction (500.04445s) stopped
T01 << 1462334964.77954412 Atomic (501.04433s) stopped
T01 >> 1462334964.77969408 Communicate (340.64596s) started
T01 << 1462334969.66708398 Communicate (345.53335s) stopped
T01 << 1462334969.66711092 Hamiltonian (1867.23144s) stopped
T01 >> 1462334969.66720891 LCAO eigensolver (675.08385s) started
T01 >> 1462334969.66722298 Potential matrix (21.15331s) started
T01 << 1462334969.92111802 Potential matrix (21.40721s) stopped
T01 >> 1462334969.92118597 DistributedAtomicCorrection (114.03167s) started
T01 << 1462334971.29015207 DistributedAtomicCorrection (115.40064s) stopped
T01 >> 1462334971.29023409 Distribute overlap matrix (92.38082s) started
T01 >> 1462334971.29028702 blocked summation (87.39771s) started
T01 << 1462334972.36150408 blocked summation (88.46893s) stopped
T01 >> 1462334972.36308098 Scalapack redistribute (4.83772s) started
T01 << 1462334972.42109203 Scalapack redistribute (4.89573s) stopped
T01 << 1462334972.42118597 Distribute overlap matrix (93.51178s) stopped
T01 >> 1462334972.42185307 Blacs Orbital Layouts (232.46783s) started
T01 >> 1462334972.42303395 General diagonalize (227.89053s) started
T01 << 1462334975.05151105 General diagonalize (230.51901s) stopped
T01 >> 1462334975.05157089 Redistribute coefs (0.23555s) started
T01 << 1462334975.05519295 Redistribute coefs (0.23918s) stopped
T01 >> 1462334975.05523992 Send coefs to domains (4.20384s) started
T01 << 1462334975.10698891 Send coefs to domains (4.25559s) stopped
T01 << 1462334975.10735703 Blacs Orbital Layouts (235.15333s) stopped
T01 >> 1462334975.10741401 Calculate projections (214.97528s) started
T01 << 1462334977.66872001 Calculate projections (217.53658s) stopped
T01 << 1462334977.66898394 LCAO eigensolver (683.08563s) stopped
T01 >> 1462334977.66971111 Density (164.06213s) started
T01 >> 1462334977.66972399 Pseudo density (135.01642s) started
T01 >> 1462334977.67015004 Calculate density matrix (121.15661s) started
T01 << 1462334979.16392207 Calculate density matrix (122.65038s) stopped
T01 >> 1462334979.16405106 Construct density (13.62809s) started
T01 << 1462334979.33300591 Construct density (13.79704s) stopped
T01 >> 1462334979.33443403 Symmetrize density (0.00347s) started
T01 << 1462334979.33446908 Symmetrize density (0.00350s) stopped
T01 << 1462334979.33492088 Pseudo density (136.68162s) stopped
T01 >> 1462334979.33494401 Atomic density matrices (19.09040s) started
T01 << 1462334979.56721807 Atomic density matrices (19.32267s) stopped
T01 >> 1462334979.56725502 Multipole moments (0.27571s) started
T01 << 1462334979.57095504 Multipole moments (0.27941s) stopped
T01 >> 1462334979.57097793 Normalize (0.08395s) started
T01 << 1462334979.57201791 Normalize (0.08499s) stopped
T01 >> 1462334979.57205296 Mix (9.59065s) started
T01 << 1462334979.69173002 Mix (9.71032s) stopped
T01 << 1462334979.69182396 Density (166.08424s) stopped
T01 >> 1462334979.69191790 Hamiltonian (1867.23145s) started
T01 >> 1462334979.69193792 vbar (0.88823s) started
T01 << 1462334979.70538592 vbar (0.90167s) stopped
T01 >> 1462334979.70545602 XC 3D grid (817.46066s) started
T01 >> 1462334979.87979007 van der Waals (788.64416s) started
T01 >> 1462334979.92256999 semilocal (179.96573s) started
T01 << 1462334982.13796306 semilocal (182.18113s) stopped
T01 >> 1462334982.16692996 redistribute (90.13431s) started
T01 << 1462334982.55833912 redistribute (90.52572s) stopped
T01 >> 1462334982.55840397 libvdwxc nonlocal (512.52969s) started
T01 << 1462334989.00558400 libvdwxc nonlocal (518.97687s) stopped
T01 >> 1462334989.00569105 redistribute (90.52575s) started
T01 << 1462334989.64774609 redistribute (91.16781s) stopped
T01 << 1462334989.64951110 van der Waals (798.41388s) stopped
T01 << 1462334989.82387590 XC 3D grid (827.57908s) stopped
T01 >> 1462334989.82392311 Poisson (194.03815s) started
T01 << 1462334991.54613590 Poisson (195.76036s) stopped
T01 >> 1462334991.54623699 Hartree integrate/restrict (6.51772s) started
T01 << 1462334991.56210399 Hartree integrate/restrict (6.53359s) stopped
T01 >> 1462334991.56216192 Hartree integrate/restrict (6.53363s) started
T01 << 1462334991.62245393 Hartree integrate/restrict (6.59392s) stopped
T01 >> 1462334991.64708090 Atomic (501.04434s) started
T01 >> 1462334991.65700102 XC Correction (500.04448s) started
T01 << 1462334997.91112208 XC Correction (506.29860s) stopped
T01 << 1462334997.91431904 Atomic (507.31158s) stopped
T01 >> 1462334997.91446304 Communicate (345.53337s) started
T01 << 1462335002.89050698 Communicate (350.50942s) stopped
T01 << 1462335002.89053988 Hamiltonian (1890.43007s) stopped
T01 >> 1462335002.89066100 LCAO eigensolver (683.08565s) started
T01 >> 1462335002.89067507 Potential matrix (21.40724s) started
T01 << 1462335003.14570999 Potential matrix (21.66227s) stopped
T01 >> 1462335003.14577603 DistributedAtomicCorrection (115.40067s) started
T01 << 1462335004.50950909 DistributedAtomicCorrection (116.76441s) stopped
T01 >> 1462335004.50959110 Distribute overlap matrix (93.51179s) started
T01 >> 1462335004.50961304 blocked summation (88.46897s) started
T01 << 1462335005.58118296 blocked summation (89.54054s) stopped
T01 >> 1462335005.58280993 Scalapack redistribute (4.89576s) started
T01 << 1462335005.64111805 Scalapack redistribute (4.95407s) stopped
T01 << 1462335005.64121509 Distribute overlap matrix (94.64341s) stopped
T01 >> 1462335005.64188004 Blacs Orbital Layouts (235.15335s) started
T01 >> 1462335005.64302802 General diagonalize (230.51904s) started
T01 << 1462335008.31829906 General diagonalize (233.19432s) stopped
T01 >> 1462335008.31834793 Redistribute coefs (0.23921s) started
T01 << 1462335008.32183695 Redistribute coefs (0.24270s) stopped
T01 >> 1462335008.32187510 Send coefs to domains (4.25567s) started
T01 << 1462335008.36801791 Send coefs to domains (4.30181s) stopped
T01 << 1462335008.36842203 Blacs Orbital Layouts (237.87989s) stopped
T01 >> 1462335008.36846590 Calculate projections (217.53663s) started
T01 << 1462335010.92146301 Calculate projections (220.08963s) stopped
T01 << 1462335010.92177701 LCAO eigensolver (691.11676s) stopped
T01 >> 1462335010.92272997 Density (166.08426s) started
T01 >> 1462335010.92274189 Pseudo density (136.68164s) started
T01 >> 1462335010.92319489 Calculate density matrix (122.65044s) started
T01 << 1462335012.41315889 Calculate density matrix (124.14041s) stopped
T01 >> 1462335012.41322708 Construct density (13.79708s) started
T01 << 1462335012.58113790 Construct density (13.96499s) stopped
T01 >> 1462335012.58335304 Symmetrize density (0.00352s) started
T01 << 1462335012.58338094 Symmetrize density (0.00355s) stopped
T01 << 1462335012.58377910 Pseudo density (138.34267s) stopped
T01 >> 1462335012.58379793 Atomic density matrices (19.32270s) started
T01 << 1462335012.81678009 Atomic density matrices (19.55568s) stopped
T01 >> 1462335012.81681299 Multipole moments (0.27943s) started
T01 << 1462335012.82058501 Multipole moments (0.28320s) stopped
T01 >> 1462335012.82061100 Normalize (0.08502s) started
T01 << 1462335012.82157993 Normalize (0.08599s) stopped
T01 >> 1462335012.82163000 Mix (9.71041s) started
T01 << 1462335012.93779898 Mix (9.82658s) stopped
T01 << 1462335012.93790793 Density (168.09944s) stopped
T01 >> 1462335012.93801689 Hamiltonian (1890.43009s) started
T01 >> 1462335012.93803906 vbar (0.90171s) started
T01 << 1462335012.95088005 vbar (0.91455s) stopped
T01 >> 1462335012.95096302 XC 3D grid (827.57912s) started
T01 >> 1462335013.12637496 van der Waals (798.41399s) started
T01 >> 1462335013.16943192 semilocal (182.18122s) started
T01 << 1462335015.40052795 semilocal (184.41232s) stopped
T01 >> 1462335015.42987394 redistribute (91.16792s) started
T01 << 1462335015.79523993 redistribute (91.53329s) stopped
T01 >> 1462335015.79528999 libvdwxc nonlocal (518.97692s) started
T01 << 1462335022.10266089 libvdwxc nonlocal (525.28430s) stopped
T01 >> 1462335022.10273194 redistribute (91.53332s) started
T01 << 1462335022.84945011 redistribute (92.28004s) stopped
T01 << 1462335022.85124111 van der Waals (808.13885s) stopped
T01 << 1462335023.02196598 XC 3D grid (837.65012s) stopped
T01 >> 1462335023.02200508 Poisson (195.76044s) started
T01 << 1462335024.73382902 Poisson (197.47226s) stopped
T01 >> 1462335024.73388696 Hartree integrate/restrict (6.59396s) started
T01 << 1462335024.74920702 Hartree integrate/restrict (6.60928s) stopped
T01 >> 1462335024.74927998 Hartree integrate/restrict (6.60933s) started
T01 << 1462335024.81272888 Hartree integrate/restrict (6.67278s) stopped
T01 >> 1462335024.83388805 Atomic (507.31160s) started
T01 >> 1462335024.84354806 XC Correction (506.29862s) started
T01 << 1462335031.13640499 XC Correction (512.59148s) stopped
T01 << 1462335031.13946390 Atomic (513.61717s) stopped
T01 >> 1462335031.13957500 Communicate (350.50944s) started
T01 << 1462335035.97729897 Communicate (355.34716s) stopped
T01 << 1462335035.97734189 Hamiltonian (1913.46941s) stopped
T01 >> 1462335035.97740507 LCAO eigensolver (691.11678s) started
T01 >> 1462335035.97741890 Potential matrix (21.66231s) started
T01 << 1462335036.23229790 Potential matrix (21.91719s) stopped
T01 >> 1462335036.23235989 DistributedAtomicCorrection (116.76444s) started
T01 << 1462335037.58028507 DistributedAtomicCorrection (118.11237s) stopped
T01 >> 1462335037.58034992 Distribute overlap matrix (94.64342s) started
T01 >> 1462335037.58037090 blocked summation (89.54058s) started
T01 << 1462335038.65943503 blocked summation (90.61964s) stopped
T01 >> 1462335038.66102409 Scalapack redistribute (4.95411s) started
T01 << 1462335038.71768999 Scalapack redistribute (5.01077s) stopped
T01 << 1462335038.71776390 Distribute overlap matrix (95.78084s) stopped
T01 >> 1462335038.71836209 Blacs Orbital Layouts (237.87991s) started
T01 >> 1462335038.71949005 General diagonalize (233.19435s) started
T01 << 1462335041.33992910 General diagonalize (235.81479s) stopped
T01 >> 1462335041.33997798 Redistribute coefs (0.24273s) started
T01 << 1462335041.34306002 Redistribute coefs (0.24581s) stopped
T01 >> 1462335041.34309697 Send coefs to domains (4.30185s) started
T01 << 1462335041.39112806 Send coefs to domains (4.34988s) stopped
T01 << 1462335041.39135194 Blacs Orbital Layouts (240.55290s) stopped
T01 >> 1462335041.39139795 Calculate projections (220.08968s) started
T01 << 1462335043.94397593 Calculate projections (222.64225s) stopped
T01 << 1462335043.94422293 LCAO eigensolver (699.08360s) stopped
T01 >> 1462335043.94505811 Density (168.09945s) started
T01 >> 1462335043.94507098 Pseudo density (138.34269s) started
T01 >> 1462335043.94545197 Calculate density matrix (124.14044s) started
T01 << 1462335045.43929291 Calculate density matrix (125.63428s) stopped
T01 >> 1462335045.43935990 Construct density (13.96503s) started
T01 << 1462335045.60734010 Construct density (14.13301s) stopped
T01 >> 1462335045.60951805 Symmetrize density (0.00356s) started
T01 << 1462335045.60954690 Symmetrize density (0.00359s) stopped
T01 << 1462335045.60994506 Pseudo density (140.00756s) stopped
T01 >> 1462335045.60996509 Atomic density matrices (19.55570s) started
T01 << 1462335045.84329891 Atomic density matrices (19.78903s) stopped
T01 >> 1462335045.84333205 Multipole moments (0.28322s) started
T01 << 1462335045.84716105 Multipole moments (0.28705s) stopped
T01 >> 1462335045.84718204 Normalize (0.08603s) started
T01 << 1462335045.84816504 Normalize (0.08701s) stopped
T01 >> 1462335045.84819794 Mix (9.82668s) started
T01 << 1462335045.96304297 Mix (9.94153s) stopped
T01 << 1462335045.96310210 Density (170.11750s) stopped
T01 >> 1462335045.96319795 Hamiltonian (1913.46942s) started
T01 >> 1462335045.96321893 vbar (0.91460s) started
T01 << 1462335045.97593498 vbar (0.92732s) stopped
T01 >> 1462335045.97601700 XC 3D grid (837.65015s) started
T01 >> 1462335046.15285492 van der Waals (808.13890s) started
T01 >> 1462335046.19578409 semilocal (184.41238s) started
T01 << 1462335048.43249798 semilocal (186.64909s) stopped
T01 >> 1462335048.46245289 redistribute (92.28010s) started
T01 << 1462335048.82609010 redistribute (92.64374s) stopped
T01 >> 1462335048.82613993 libvdwxc nonlocal (525.28433s) started
T01 << 1462335055.14147806 libvdwxc nonlocal (531.59967s) stopped
T01 >> 1462335055.14154291 redistribute (92.64377s) started
T01 << 1462335055.88977599 redistribute (93.39200s) stopped
T01 << 1462335055.89190197 van der Waals (817.87795s) stopped
T01 << 1462335056.06420803 XC 3D grid (847.73834s) stopped
T01 >> 1462335056.06424904 Poisson (197.47230s) started
T01 << 1462335057.78484297 Poisson (199.19289s) stopped
T01 >> 1462335057.78489804 Hartree integrate/restrict (6.67281s) started
T01 << 1462335057.80029106 Hartree integrate/restrict (6.68820s) stopped
T01 >> 1462335057.80033398 Hartree integrate/restrict (6.68823s) started
T01 << 1462335057.86387491 Hartree integrate/restrict (6.75177s) stopped
T01 >> 1462335057.88541508 Atomic (513.61719s) started
T01 >> 1462335057.89508700 XC Correction (512.59150s) started
T01 << 1462335064.18439388 XC Correction (518.88081s) stopped
T01 << 1462335064.18745589 Atomic (519.91923s) stopped
T01 >> 1462335064.18757200 Communicate (355.34720s) started
T01 << 1462335069.03976607 Communicate (360.19939s) stopped
T01 << 1462335069.03978992 Hamiltonian (1936.54601s) stopped
T01 >> 1462335069.03984904 LCAO eigensolver (699.08361s) started
T01 >> 1462335069.03986192 Potential matrix (21.91722s) started
T01 << 1462335069.29446793 Potential matrix (22.17183s) stopped
T01 >> 1462335069.29452991 DistributedAtomicCorrection (118.11240s) started
T01 << 1462335070.64500690 DistributedAtomicCorrection (119.46287s) stopped
T01 >> 1462335070.64507389 Distribute overlap matrix (95.78085s) started
T01 >> 1462335070.64509606 blocked summation (90.61967s) started
T01 << 1462335071.71086407 blocked summation (91.68544s) stopped
T01 >> 1462335071.71245694 Scalapack redistribute (5.01081s) started
T01 << 1462335071.77076888 Scalapack redistribute (5.06912s) stopped
T01 << 1462335071.77084303 Distribute overlap matrix (96.90662s) stopped
T01 >> 1462335071.77144599 Blacs Orbital Layouts (240.55291s) started
T01 >> 1462335071.77257609 General diagonalize (235.81482s) started
T01 << 1462335074.41573691 General diagonalize (238.45798s) stopped
T01 >> 1462335074.41578388 Redistribute coefs (0.24584s) started
T01 << 1462335074.41882896 Redistribute coefs (0.24889s) stopped
T01 >> 1462335074.41886711 Send coefs to domains (4.34991s) started
T01 << 1462335074.46793008 Send coefs to domains (4.39898s) stopped
T01 << 1462335074.46815705 Blacs Orbital Layouts (243.24962s) stopped
T01 >> 1462335074.46820807 Calculate projections (222.64230s) started
T01 << 1462335077.02079296 Calculate projections (225.19488s) stopped
T01 << 1462335077.02104092 LCAO eigensolver (707.06481s) stopped
T01 >> 1462335077.02172399 Density (170.11751s) started
T01 >> 1462335077.02173591 Pseudo density (140.00758s) started
T01 >> 1462335077.02212405 Calculate density matrix (125.63432s) started
T01 << 1462335078.51709199 Calculate density matrix (127.12929s) stopped
T01 >> 1462335078.51716208 Construct density (14.13304s) started
T01 << 1462335078.68543696 Construct density (14.30131s) stopped
T01 >> 1462335078.68752909 Symmetrize density (0.00360s) started
T01 << 1462335078.68755794 Symmetrize density (0.00363s) stopped
T01 << 1462335078.68795395 Pseudo density (141.67379s) stopped
T01 >> 1462335078.68797398 Atomic density matrices (19.78906s) started
T01 << 1462335078.92057204 Atomic density matrices (20.02166s) stopped
T01 >> 1462335078.92060900 Multipole moments (0.28706s) started
T01 << 1462335078.92440796 Multipole moments (0.29086s) stopped
T01 >> 1462335078.92442989 Normalize (0.08704s) started
T01 << 1462335078.92540407 Normalize (0.08801s) stopped
T01 >> 1462335078.92544389 Mix (9.94158s) started
T01 << 1462335079.04070902 Mix (10.05685s) stopped
T01 << 1462335079.04080391 Density (172.13659s) stopped
T01 >> 1462335079.04090309 Hamiltonian (1936.54603s) started
T01 >> 1462335079.04092312 vbar (0.92736s) started
T01 << 1462335079.05348301 vbar (0.93992s) stopped
T01 >> 1462335079.05356002 XC 3D grid (847.73838s) started
T01 >> 1462335079.22957897 van der Waals (817.87803s) started
T01 >> 1462335079.27219701 semilocal (186.64916s) started
T01 << 1462335081.50302005 semilocal (188.87998s) stopped
T01 >> 1462335081.53170609 redistribute (93.39213s) started
T01 << 1462335081.90057492 redistribute (93.76100s) stopped
T01 >> 1462335081.90063095 libvdwxc nonlocal (531.59970s) started
T01 << 1462335088.21383595 libvdwxc nonlocal (537.91291s) stopped
T01 >> 1462335088.21389389 redistribute (93.76103s) started
T01 << 1462335088.96339297 redistribute (94.51053s) stopped
T01 << 1462335088.96528792 van der Waals (827.61374s) stopped
T01 << 1462335089.13787699 XC 3D grid (857.82269s) stopped
T01 >> 1462335089.13791990 Poisson (199.19293s) started
T01 << 1462335090.84969711 Poisson (200.90471s) stopped
T01 >> 1462335090.84976506 Hartree integrate/restrict (6.75180s) started
T01 << 1462335090.86494803 Hartree integrate/restrict (6.76698s) stopped
T01 >> 1462335090.86506295 Hartree integrate/restrict (6.76708s) started
T01 << 1462335090.92867708 Hartree integrate/restrict (6.83069s) stopped
T01 >> 1462335090.94926906 Atomic (519.91925s) started
T01 >> 1462335090.95893312 XC Correction (518.88083s) started
T01 << 1462335097.24725294 XC Correction (525.16915s) stopped
T01 << 1462335097.25031304 Atomic (526.22029s) stopped
T01 >> 1462335097.25042391 Communicate (360.19940s) started
T01 << 1462335102.15896201 Communicate (365.10794s) stopped
T01 << 1462335102.15898490 Hamiltonian (1959.66411s) stopped
T01 >> 1462335102.15904403 LCAO eigensolver (707.06482s) started
T01 >> 1462335102.15905690 Potential matrix (22.17186s) started
T01 << 1462335102.41449094 Potential matrix (22.42730s) stopped
T01 >> 1462335102.41455507 DistributedAtomicCorrection (119.46290s) started
T01 << 1462335103.75238204 DistributedAtomicCorrection (120.80073s) stopped
T01 >> 1462335103.75244808 Distribute overlap matrix (96.90663s) started
T01 >> 1462335103.75246811 blocked summation (91.68547s) started
T01 << 1462335104.83835793 blocked summation (92.77136s) stopped
T01 >> 1462335104.83984709 Scalapack redistribute (5.06915s) started
T01 << 1462335104.89943290 Scalapack redistribute (5.12874s) stopped
T01 << 1462335104.89950490 Distribute overlap matrix (98.05369s) stopped
T01 >> 1462335104.90013194 Blacs Orbital Layouts (243.24964s) started
T01 >> 1462335104.90125799 General diagonalize (238.45802s) started
T01 << 1462335107.53285694 General diagonalize (241.08961s) stopped
T01 >> 1462335107.53290510 Redistribute coefs (0.24892s) started
T01 << 1462335107.53590798 Redistribute coefs (0.25192s) stopped
T01 >> 1462335107.53594708 Send coefs to domains (4.39901s) started
T01 << 1462335107.58470607 Send coefs to domains (4.44777s) stopped
T01 << 1462335107.58492708 Blacs Orbital Layouts (245.93444s) stopped
T01 >> 1462335107.58497810 Calculate projections (225.19493s) started
T01 << 1462335110.13711500 Calculate projections (227.74706s) stopped
T01 << 1462335110.13734293 LCAO eigensolver (715.04312s) stopped
T01 >> 1462335110.13803101 Density (172.13661s) started
T01 >> 1462335110.13804293 Pseudo density (141.67381s) started
T01 >> 1462335110.13842702 Calculate density matrix (127.12932s) started
T01 << 1462335111.63814092 Calculate density matrix (128.62903s) stopped
T01 >> 1462335111.63821411 Construct density (14.30135s) started
T01 << 1462335111.80678892 Construct density (14.46992s) stopped
T01 >> 1462335111.80883598 Symmetrize density (0.00364s) started
T01 << 1462335111.80886602 Symmetrize density (0.00367s) stopped
T01 << 1462335111.80925298 Pseudo density (143.34502s) stopped
T01 >> 1462335111.80927300 Atomic density matrices (20.02168s) started
T01 << 1462335112.04182100 Atomic density matrices (20.25423s) stopped
T01 >> 1462335112.04185295 Multipole moments (0.29088s) started
T01 << 1462335112.04565406 Multipole moments (0.29468s) stopped
T01 >> 1462335112.04567504 Normalize (0.08804s) started
T01 << 1462335112.04666591 Normalize (0.08903s) stopped
T01 >> 1462335112.04669809 Mix (10.05694s) started
T01 << 1462335112.16166592 Mix (10.17191s) stopped
T01 << 1462335112.16177702 Density (174.16036s) stopped
T01 >> 1462335112.16189003 Hamiltonian (1959.66412s) started
T01 >> 1462335112.16191292 vbar (0.93997s) started
T01 << 1462335112.17439198 vbar (0.95245s) stopped
T01 >> 1462335112.17447805 XC 3D grid (857.82273s) started
T01 >> 1462335112.34536409 van der Waals (827.61380s) started
T01 >> 1462335112.38856697 semilocal (188.88005s) started
T01 << 1462335114.61670899 semilocal (191.10820s) stopped
T01 >> 1462335114.64682698 redistribute (94.51061s) started
T01 << 1462335115.01396489 redistribute (94.87775s) stopped
T01 >> 1462335115.01401591 libvdwxc nonlocal (537.91294s) started
T01 << 1462335121.30975389 libvdwxc nonlocal (544.20868s) stopped
T01 >> 1462335121.30981207 redistribute (94.87778s) started
T01 << 1462335122.06208205 redistribute (95.63005s) stopped
T01 << 1462335122.06395602 van der Waals (837.33240s) stopped
T01 << 1462335122.23675108 XC 3D grid (867.88500s) stopped
T01 >> 1462335122.23679090 Poisson (200.90476s) started
T01 << 1462335123.95695901 Poisson (202.62493s) stopped
T01 >> 1462335123.95702791 Hartree integrate/restrict (6.83072s) started
T01 << 1462335123.97225308 Hartree integrate/restrict (6.84594s) stopped
T01 >> 1462335123.97229791 Hartree integrate/restrict (6.84597s) started
T01 << 1462335124.03608108 Hartree integrate/restrict (6.90975s) stopped
T01 >> 1462335124.05759907 Atomic (526.22031s) started
T01 >> 1462335124.06721902 XC Correction (525.16917s) started
T01 << 1462335130.31748104 XC Correction (531.41943s) stopped
T01 << 1462335130.32054996 Atomic (532.48326s) stopped
T01 >> 1462335130.32066894 Communicate (365.10796s) started
T01 << 1462335135.23359203 Communicate (370.02088s) stopped
T01 << 1462335135.23362207 Hamiltonian (1982.73585s) stopped
T01 >> 1462335135.23368096 LCAO eigensolver (715.04314s) started
T01 >> 1462335135.23369503 Potential matrix (22.42733s) started
T01 << 1462335135.48847103 Potential matrix (22.68211s) stopped
T01 >> 1462335135.48853302 DistributedAtomicCorrection (120.80076s) started
T01 << 1462335136.83490491 DistributedAtomicCorrection (122.14713s) stopped
T01 >> 1462335136.83497095 Distribute overlap matrix (98.05370s) started
T01 >> 1462335136.83499098 blocked summation (92.77140s) started
T01 << 1462335137.93845510 blocked summation (93.87486s) stopped
T01 >> 1462335137.94004107 Scalapack redistribute (5.12877s) started
T01 << 1462335137.99659801 Scalapack redistribute (5.18533s) stopped
T01 << 1462335137.99667597 Distribute overlap matrix (99.21540s) stopped
T01 >> 1462335137.99727511 Blacs Orbital Layouts (245.93445s) started
T01 >> 1462335137.99840498 General diagonalize (241.08965s) started
T01 << 1462335140.62764096 General diagonalize (243.71888s) stopped
T01 >> 1462335140.62768888 Redistribute coefs (0.25195s) started
T01 << 1462335140.63088799 Redistribute coefs (0.25515s) stopped
T01 >> 1462335140.63092589 Send coefs to domains (4.44780s) started
T01 << 1462335140.67931294 Send coefs to domains (4.49619s) stopped
T01 << 1462335140.67953491 Blacs Orbital Layouts (248.61671s) stopped
T01 >> 1462335140.67958307 Calculate projections (227.74710s) started
T01 << 1462335143.23200011 Calculate projections (230.29952s) stopped
T01 << 1462335143.23224998 LCAO eigensolver (723.04171s) stopped
T01 >> 1462335143.23293090 Density (174.16038s) started
T01 >> 1462335143.23294306 Pseudo density (143.34503s) started
T01 >> 1462335143.23333311 Calculate density matrix (128.62907s) started
T01 << 1462335144.73015809 Calculate density matrix (130.12590s) stopped
T01 >> 1462335144.73022890 Construct density (14.46995s) started
T01 << 1462335144.89822698 Construct density (14.63795s) stopped
T01 >> 1462335144.90029502 Symmetrize density (0.00368s) started
T01 << 1462335144.90032506 Symmetrize density (0.00371s) stopped
T01 << 1462335144.90074301 Pseudo density (145.01283s) stopped
T01 >> 1462335144.90076303 Atomic density matrices (20.25425s) started
T01 << 1462335145.13431001 Atomic density matrices (20.48780s) stopped
T01 >> 1462335145.13434196 Multipole moments (0.29469s) started
T01 << 1462335145.13816810 Multipole moments (0.29852s) stopped
T01 >> 1462335145.13819003 Normalize (0.08906s) started
T01 << 1462335145.13916397 Normalize (0.09003s) stopped
T01 >> 1462335145.13920498 Mix (10.17201s) started
T01 << 1462335145.25407791 Mix (10.28689s) stopped
T01 << 1462335145.25419593 Density (176.18164s) stopped
T01 >> 1462335145.25431490 Hamiltonian (1982.73587s) started
T01 >> 1462335145.25433612 vbar (0.95250s) started
T01 << 1462335145.26686096 vbar (0.96502s) stopped
T01 >> 1462335145.26694894 XC 3D grid (867.88503s) started
T01 >> 1462335145.44494796 van der Waals (837.33247s) started
T01 >> 1462335145.48620796 semilocal (191.10824s) started
T01 << 1462335147.71173811 semilocal (193.33377s) stopped
T01 >> 1462335147.74092007 redistribute (95.63012s) started
T01 << 1462335148.10288310 redistribute (95.99208s) stopped
T01 >> 1462335148.10293388 libvdwxc nonlocal (544.20871s) started
T01 << 1462335154.41469693 libvdwxc nonlocal (550.52047s) stopped
T01 >> 1462335154.41477799 redistribute (95.99211s) started
T01 << 1462335155.16241598 redistribute (96.73975s) stopped
T01 << 1462335155.16388702 van der Waals (847.05141s) stopped
T01 << 1462335155.34104705 XC 3D grid (877.95913s) stopped
T01 >> 1462335155.34108496 Poisson (202.62498s) started
T01 << 1462335157.06292796 Poisson (204.34682s) stopped
T01 >> 1462335157.06298709 Hartree integrate/restrict (6.90978s) started
T01 << 1462335157.07843900 Hartree integrate/restrict (6.92523s) stopped
T01 >> 1462335157.07848096 Hartree integrate/restrict (6.92526s) started
T01 << 1462335157.14130092 Hartree integrate/restrict (6.98808s) stopped
T01 >> 1462335157.16304588 Atomic (532.48328s) started
T01 >> 1462335157.17274690 XC Correction (531.41946s) started
T01 << 1462335163.46190810 XC Correction (537.70862s) stopped
T01 << 1462335163.46497607 Atomic (538.78521s) stopped
T01 >> 1462335163.46508408 Communicate (370.02090s) started
T01 << 1462335168.49499798 Communicate (375.05082s) stopped
T01 << 1462335168.49502206 Hamiltonian (2005.97657s) stopped
T01 >> 1462335168.49508190 LCAO eigensolver (723.04172s) started
T01 >> 1462335168.49509501 Potential matrix (22.68214s) started
T01 << 1462335168.75036907 Potential matrix (22.93742s) stopped
T01 >> 1462335168.75043106 DistributedAtomicCorrection (122.14716s) started
T01 << 1462335170.08980799 DistributedAtomicCorrection (123.48654s) stopped
T01 >> 1462335170.08987403 Distribute overlap matrix (99.21542s) started
T01 >> 1462335170.08989501 blocked summation (93.87489s) started
T01 << 1462335171.18205905 blocked summation (94.96706s) stopped
T01 >> 1462335171.18368912 Scalapack redistribute (5.18536s) started
T01 << 1462335171.24075007 Scalapack redistribute (5.24242s) stopped
T01 << 1462335171.24082208 Distribute overlap matrix (100.36636s) stopped
T01 >> 1462335171.24143291 Blacs Orbital Layouts (248.61673s) started
T01 >> 1462335171.24262190 General diagonalize (243.71891s) started
T01 << 1462335173.85310197 General diagonalize (246.32939s) stopped
T01 >> 1462335173.85314989 Redistribute coefs (0.25518s) started
T01 << 1462335173.85636401 Redistribute coefs (0.25839s) stopped
T01 >> 1462335173.85640407 Send coefs to domains (4.49623s) started
T01 << 1462335173.90424609 Send coefs to domains (4.54407s) stopped
T01 << 1462335173.90446997 Blacs Orbital Layouts (251.27977s) stopped
T01 >> 1462335173.90451598 Calculate projections (230.29956s) started
T01 << 1462335176.45660496 Calculate projections (232.85165s) stopped
T01 << 1462335176.45685792 LCAO eigensolver (731.00350s) stopped
T01 << 1462335176.45750499 SCF-cycle (2913.23278s) stopped
T01 >> 1462335177.27470303 Force calculation (56.85977s) started
T01 >> 1462335177.27475810 LCAO forces (36.35781s) started
T01 >> 1462335177.27508712 Initial (0.00005s) started
T01 << 1462335177.27509809 Initial (0.00006s) stopped
T01 >> 1462335177.27951789 Get density matrix (6.89888s) started
T01 << 1462335177.86171699 Get density matrix (7.48108s) stopped
T01 >> 1462335177.86177397 Potential (2.67976s) started
T01 << 1462335179.20308089 Potential (4.02107s) stopped
T01 >> 1462335179.20314193 Get density matrix (7.48111s) started
T01 << 1462335182.19264388 Get density matrix (10.47061s) stopped
T01 >> 1462335182.19274998 Prepare TCI loop (3.60376s) started
T01 >> 1462335182.19317508 Get neighbors (3.08191s) started
T01 << 1462335183.81084800 Get neighbors (4.69958s) stopped
T01 >> 1462335183.81117105 broadcast dH (0.52079s) started
T01 << 1462335184.22061300 broadcast dH (0.93023s) stopped
T01 << 1462335184.22065496 Prepare TCI loop (5.63166s) stopped
T01 >> 1462335184.22067308 Not so complicated loop (5.01342s) started
T01 << 1462335186.83828497 Not so complicated loop (7.63103s) stopped
T01 >> 1462335186.94062805 Complicated loop (17.89480s) started
T01 << 1462335195.99392605 Complicated loop (26.94810s) stopped
T01 >> 1462335196.00287294 Wait for sum (0.00009s) started
T01 << 1462335196.00290990 Wait for sum (0.00013s) stopped
T01 << 1462335196.00292206 LCAO forces (55.08597s) stopped
T01 << 1462335206.27233505 Force calculation (85.85740s) stopped
T01 >> 1462335206.28965712 Initialization (146.95094s) started
T01 << 1462335206.28981900 Initialization (146.95110s) stopped
T01 >> 1462335206.29002905 Initialization (146.95112s) started
T01 << 1462335206.29015589 Initialization (146.95124s) stopped
T01 >> 1462335206.29028606 Initialization (146.95126s) started
T01 << 1462335206.29041100 Initialization (146.95138s) stopped
T01 >> 1462335226.69562697 Initialization (146.95140s) started
T01 >> 1462335226.70847011 Basic WFS set positions (0.25598s) started
T01 >> 1462335226.70849109 Redistribute (0.00707s) started
T01 << 1462335226.70862103 Redistribute (0.00720s) stopped
T01 << 1462335226.80370307 Basic WFS set positions (0.35121s) stopped
T01 >> 1462335226.80373406 Basis functions set positions (1.34632s) started
T01 << 1462335227.21580005 Basis functions set positions (1.75839s) stopped
T01 >> 1462335227.21708012 TCI: Calculate S, T, P (43.03502s) started
T01 << 1462335242.00149393 TCI: Calculate S, T, P (57.81943s) stopped
T01 >> 1462335242.00157404 blocked summation (10.73831s) started
T01 << 1462335245.93914008 blocked summation (14.67588s) stopped
T01 >> 1462335245.93993497 Scalapack redistribute (0.45821s) started
T01 << 1462335245.99675703 Scalapack redistribute (0.51504s) stopped
T01 >> 1462335245.99712205 blocked summation (14.67592s) started
T01 << 1462335246.17730403 blocked summation (14.85610s) stopped
T01 >> 1462335246.17801905 Scalapack redistribute (0.51508s) started
T01 << 1462335246.22599292 Scalapack redistribute (0.56306s) stopped
T01 >> 1462335246.22704291 Redistribute (0.00374s) started
T01 << 1462335246.22799897 Redistribute (0.00470s) stopped
T01 >> 1462335247.13692307 Redistribute (0.00472s) started
T01 << 1462335247.13792896 Redistribute (0.00572s) stopped
T01 >> 1462335247.14641595 LCAO WFS Initialize (86.32090s) started
T01 >> 1462335247.14644098 Density initialize from wavefunctions (2.39980s) started
T01 >> 1462335247.14687490 Calculate density matrix (1.40733s) started
T01 << 1462335247.84429598 Calculate density matrix (2.10475s) stopped
T01 >> 1462335247.84434700 Construct density (0.33583s) started
T01 << 1462335248.01294589 Construct density (0.50443s) stopped
T01 >> 1462335248.01424408 Symmetrize density (0.00008s) started
T01 << 1462335248.01427388 Symmetrize density (0.00011s) stopped
T01 << 1462335248.34114504 Density initialize from wavefunctions (3.59450s) stopped
T01 >> 1462335248.34177995 Hamiltonian (83.72525s) started
T01 >> 1462335248.34181809 vbar (0.03692s) started
T01 << 1462335248.35406208 vbar (0.04917s) stopped
T01 >> 1462335248.35415506 XC 3D grid (30.01749s) started
T01 >> 1462335248.52425194 van der Waals (28.95678s) started
T01 >> 1462335248.56734300 semilocal (6.67351s) started
T01 << 1462335250.80844998 semilocal (8.91462s) stopped
T01 >> 1462335250.83868098 redistribute (3.26906s) started
T01 << 1462335251.21374702 redistribute (3.64413s) stopped
T01 >> 1462335251.21378899 libvdwxc nonlocal (18.79465s) started
T01 << 1462335257.58665490 libvdwxc nonlocal (25.16752s) stopped
T01 >> 1462335257.58671403 redistribute (3.64416s) started
T01 << 1462335258.32145405 redistribute (4.37890s) stopped
T01 << 1462335258.32278109 van der Waals (38.75531s) stopped
T01 << 1462335258.50081396 XC 3D grid (40.16415s) stopped
T01 >> 1462335258.50085592 Poisson (15.93075s) started
T01 << 1462335263.67628002 Poisson (21.10617s) stopped
T01 >> 1462335263.67634511 Hartree integrate/restrict (0.23679s) started
T01 << 1462335263.69156790 Hartree integrate/restrict (0.25202s) stopped
T01 >> 1462335263.69163895 Hartree integrate/restrict (0.25207s) started
T01 << 1462335263.75554609 Hartree integrate/restrict (0.31598s) stopped
T01 >> 1462335263.77835298 Atomic (19.85649s) started
T01 >> 1462335263.78779292 XC Correction (19.81964s) started
T01 << 1462335270.53782201 XC Correction (26.56967s) stopped
T01 << 1462335270.54087591 Atomic (26.61902s) stopped
T01 >> 1462335270.54105902 Communicate (17.56342s) started
T01 << 1462335276.90458608 Communicate (23.92695s) stopped
T01 << 1462335276.90461802 Hamiltonian (112.28809s) stopped
T01 << 1462335276.90467906 LCAO WFS Initialize (116.07916s) stopped
T01 << 1462335276.91666603 Initialization (197.17244s) stopped
T01 >> 1462335276.94047999 SCF-cycle (2913.23280s) started
T01 >> 1462335276.94051099 LCAO eigensolver (731.00352s) started
T01 >> 1462335276.94052291 Potential matrix (22.93745s) started
T01 << 1462335277.19445705 Potential matrix (23.19139s) stopped
T01 >> 1462335277.19452310 DistributedAtomicCorrection (123.48656s) started
T01 << 1462335278.51595306 DistributedAtomicCorrection (124.80799s) stopped
T01 >> 1462335278.51602888 Distribute overlap matrix (100.36638s) started
T01 >> 1462335278.51605201 blocked summation (94.96709s) started
T01 << 1462335279.61011100 blocked summation (96.06115s) stopped
T01 >> 1462335279.61100101 Scalapack redistribute (5.24245s) started
T01 << 1462335279.66700006 Scalapack redistribute (5.29845s) stopped
T01 << 1462335279.66706800 Distribute overlap matrix (101.51742s) stopped
T01 >> 1462335279.66765094 Blacs Orbital Layouts (251.27979s) started
T01 >> 1462335279.66821909 General diagonalize (246.32943s) started
T01 << 1462335282.29769707 General diagonalize (248.95890s) stopped
T01 >> 1462335282.29773808 Redistribute coefs (0.25842s) started
T01 << 1462335282.30031896 Redistribute coefs (0.26100s) stopped
T01 >> 1462335282.30035591 Send coefs to domains (4.54410s) started
T01 << 1462335282.34905601 Send coefs to domains (4.59280s) stopped
T01 << 1462335282.34910202 Blacs Orbital Layouts (253.96124s) stopped
T01 >> 1462335282.34912395 Calculate projections (232.85170s) started
T01 << 1462335284.89522600 Calculate projections (235.39780s) stopped
T01 << 1462335284.89528608 LCAO eigensolver (738.95829s) stopped
T01 >> 1462335284.89588690 Density (176.18166s) started
T01 >> 1462335284.89589906 Pseudo density (145.01285s) started
T01 >> 1462335284.89630389 Calculate density matrix (130.12593s) started
T01 << 1462335286.38948393 Calculate density matrix (131.61911s) stopped
T01 >> 1462335286.38953710 Construct density (14.63798s) started
T01 << 1462335286.55774808 Construct density (14.80620s) stopped
T01 >> 1462335286.55886793 Symmetrize density (0.00372s) started
T01 << 1462335286.55889893 Symmetrize density (0.00375s) stopped
T01 << 1462335286.55926704 Pseudo density (146.67622s) stopped
T01 >> 1462335286.55928707 Atomic density matrices (20.48782s) started
T01 << 1462335286.80422592 Atomic density matrices (20.73276s) stopped
T01 >> 1462335286.80425906 Multipole moments (0.29853s) started
T01 << 1462335286.80804396 Multipole moments (0.30232s) stopped
T01 >> 1462335286.80806494 Normalize (0.09006s) started
T01 << 1462335286.80909991 Normalize (0.09110s) stopped
T01 >> 1462335286.80913997 Mix (10.28700s) started
T01 << 1462335286.91025901 Mix (10.38812s) stopped
T01 << 1462335286.91035199 Density (178.19612s) stopped
T01 >> 1462335286.91044688 Hamiltonian (2005.97659s) started
T01 >> 1462335286.91046500 vbar (0.96507s) started
T01 << 1462335286.92286611 vbar (0.97747s) stopped
T01 >> 1462335286.92295003 XC 3D grid (877.95916s) started
T01 >> 1462335287.09094596 van der Waals (847.05150s) started
T01 >> 1462335287.13478208 semilocal (193.33385s) started
T01 << 1462335289.36362410 semilocal (195.56269s) stopped
T01 >> 1462335289.39670897 redistribute (96.73980s) started
T01 << 1462335289.78769588 redistribute (97.13079s) stopped
T01 >> 1462335289.78773808 libvdwxc nonlocal (550.52052s) started
T01 << 1462335296.14716291 libvdwxc nonlocal (556.87995s) stopped
T01 >> 1462335296.14722395 redistribute (97.13082s) started
T01 << 1462335296.88310695 redistribute (97.86670s) stopped
T01 << 1462335296.88478589 van der Waals (856.84534s) stopped
T01 << 1462335297.06107402 XC 3D grid (888.09728s) stopped
T01 >> 1462335297.06111312 Poisson (204.34687s) started
T01 << 1462335299.39345908 Poisson (206.67921s) stopped
T01 >> 1462335299.39351392 Hartree integrate/restrict (6.98811s) started
T01 << 1462335299.40885496 Hartree integrate/restrict (7.00346s) stopped
T01 >> 1462335299.40892100 Hartree integrate/restrict (7.00350s) started
T01 << 1462335299.47262001 Hartree integrate/restrict (7.06720s) stopped
T01 >> 1462335299.49539900 Atomic (538.78523s) started
T01 >> 1462335299.50470400 XC Correction (537.70864s) started
T01 << 1462335306.31090593 XC Correction (544.51484s) stopped
T01 << 1462335306.31389904 Atomic (545.60373s) stopped
T01 >> 1462335306.31401110 Communicate (375.05083s) started
T01 << 1462335312.21499205 Communicate (380.95181s) stopped
T01 << 1462335312.21502900 Hamiltonian (2031.28117s) stopped
T01 >> 1462335312.21513009 LCAO eigensolver (738.95830s) started
T01 >> 1462335312.21514392 Potential matrix (23.19142s) started
T01 << 1462335312.47134495 Potential matrix (23.44763s) stopped
T01 >> 1462335312.47140789 DistributedAtomicCorrection (124.80803s) started
T01 << 1462335313.79783201 DistributedAtomicCorrection (126.13445s) stopped
T01 >> 1462335313.79789591 Distribute overlap matrix (101.51743s) started
T01 >> 1462335313.79791594 blocked summation (96.06119s) started
T01 << 1462335314.89452195 blocked summation (97.15779s) stopped
T01 >> 1462335314.89534307 Scalapack redistribute (5.29848s) started
T01 << 1462335314.95124888 Scalapack redistribute (5.35439s) stopped
T01 << 1462335314.95131302 Distribute overlap matrix (102.67084s) stopped
T01 >> 1462335314.95188689 Blacs Orbital Layouts (253.96125s) started
T01 >> 1462335314.95241690 General diagonalize (248.95894s) started
T01 << 1462335317.58526301 General diagonalize (251.59178s) stopped
T01 >> 1462335317.58530402 Redistribute coefs (0.26103s) started
T01 << 1462335317.58796906 Redistribute coefs (0.26370s) stopped
T01 >> 1462335317.58800697 Send coefs to domains (4.59283s) started
T01 << 1462335317.63781095 Send coefs to domains (4.64263s) stopped
T01 << 1462335317.63785505 Blacs Orbital Layouts (256.64722s) stopped
T01 >> 1462335317.63789296 Calculate projections (235.39784s) started
T01 << 1462335320.18409204 Calculate projections (237.94404s) stopped
T01 << 1462335320.18415189 LCAO eigensolver (746.92733s) stopped
T01 >> 1462335320.18492293 Density (178.19614s) started
T01 >> 1462335320.18493390 Pseudo density (146.67623s) started
T01 >> 1462335320.18534493 Calculate density matrix (131.61915s) started
T01 << 1462335321.67623091 Calculate density matrix (133.11003s) stopped
T01 >> 1462335321.67628694 Construct density (14.80623s) started
T01 << 1462335321.84457803 Construct density (14.97452s) stopped
T01 >> 1462335321.84587598 Symmetrize density (0.00376s) started
T01 << 1462335321.84590697 Symmetrize density (0.00379s) stopped
T01 << 1462335321.84627199 Pseudo density (148.33757s) stopped
T01 >> 1462335321.84629202 Atomic density matrices (20.73278s) started
T01 << 1462335322.09175706 Atomic density matrices (20.97825s) stopped
T01 >> 1462335322.09179091 Multipole moments (0.30233s) started
T01 << 1462335322.09554005 Multipole moments (0.30608s) stopped
T01 >> 1462335322.09556198 Normalize (0.09113s) started
T01 << 1462335322.09659290 Normalize (0.09216s) stopped
T01 >> 1462335322.09663701 Mix (10.38821s) started
T01 << 1462335322.20148897 Mix (10.49306s) stopped
T01 << 1462335322.20160007 Density (180.21282s) stopped
T01 >> 1462335322.20172596 Hamiltonian (2031.28118s) started
T01 >> 1462335322.20174789 vbar (0.97752s) started
T01 << 1462335322.21397996 vbar (0.98975s) stopped
T01 >> 1462335322.21406698 XC 3D grid (888.09731s) started
T01 >> 1462335322.39039707 van der Waals (856.84541s) started
T01 >> 1462335322.43271899 semilocal (195.56276s) started
T01 << 1462335324.67786694 semilocal (197.80790s) stopped
T01 >> 1462335324.70748591 redistribute (97.86674s) started
T01 << 1462335325.07299209 redistribute (98.23224s) stopped
T01 >> 1462335325.07304192 libvdwxc nonlocal (556.87999s) started
T01 << 1462335331.38540602 libvdwxc nonlocal (563.19236s) stopped
T01 >> 1462335331.38546300 redistribute (98.23227s) started
T01 << 1462335332.13543010 redistribute (98.98224s) stopped
T01 << 1462335332.13697290 van der Waals (866.59198s) stopped
T01 << 1462335332.31362200 XC 3D grid (898.19687s) stopped
T01 >> 1462335332.31366110 Poisson (206.67925s) started
T01 << 1462335334.62706804 Poisson (208.99266s) stopped
T01 >> 1462335334.62716007 Hartree integrate/restrict (7.06722s) started
T01 << 1462335334.64244294 Hartree integrate/restrict (7.08251s) stopped
T01 >> 1462335334.64249206 Hartree integrate/restrict (7.08254s) started
T01 << 1462335334.70593190 Hartree integrate/restrict (7.14598s) stopped
T01 >> 1462335334.72784305 Atomic (545.60374s) started
T01 >> 1462335334.73705006 XC Correction (544.51486s) started
T01 << 1462335341.12616992 XC Correction (550.90398s) stopped
T01 << 1462335341.12923002 Atomic (552.00513s) stopped
T01 >> 1462335341.12934494 Communicate (380.95184s) started
T01 << 1462335346.67020988 Communicate (386.49271s) stopped
T01 << 1462335346.67023492 Hamiltonian (2055.74969s) stopped
T01 >> 1462335346.67029500 LCAO eigensolver (746.92734s) started
T01 >> 1462335346.67030811 Potential matrix (23.44766s) started
T01 << 1462335346.92368102 Potential matrix (23.70104s) stopped
T01 >> 1462335346.92374301 DistributedAtomicCorrection (126.13448s) started
T01 << 1462335348.25631690 DistributedAtomicCorrection (127.46706s) stopped
T01 >> 1462335348.25638103 Distribute overlap matrix (102.67086s) started
T01 >> 1462335348.25640202 blocked summation (97.15783s) started
T01 << 1462335349.34306192 blocked summation (98.24449s) stopped
T01 >> 1462335349.34389901 Scalapack redistribute (5.35442s) started
T01 << 1462335349.39965200 Scalapack redistribute (5.41017s) stopped
T01 << 1462335349.39971995 Distribute overlap matrix (103.81419s) stopped
T01 >> 1462335349.40036011 Blacs Orbital Layouts (256.64723s) started
T01 >> 1462335349.40093303 General diagonalize (251.59181s) started
T01 << 1462335352.03552508 General diagonalize (254.22641s) stopped
T01 >> 1462335352.03557491 Redistribute coefs (0.26373s) started
T01 << 1462335352.03813791 Redistribute coefs (0.26629s) stopped
T01 >> 1462335352.03820205 Send coefs to domains (4.64267s) started
T01 << 1462335352.08685708 Send coefs to domains (4.69133s) stopped
T01 << 1462335352.08690095 Blacs Orbital Layouts (259.33377s) stopped
T01 >> 1462335352.08694291 Calculate projections (237.94408s) started
T01 << 1462335354.63292289 Calculate projections (240.49006s) stopped
T01 << 1462335354.63298106 LCAO eigensolver (754.89002s) stopped
T01 >> 1462335354.63365006 Density (180.21286s) started
T01 >> 1462335354.63366103 Pseudo density (148.33758s) started
T01 >> 1462335354.63407302 Calculate density matrix (133.11007s) started
T01 << 1462335356.12239790 Calculate density matrix (134.59840s) stopped
T01 >> 1462335356.12246704 Construct density (14.97456s) started
T01 << 1462335356.29082894 Construct density (15.14292s) stopped
T01 >> 1462335356.29195595 Symmetrize density (0.00380s) started
T01 << 1462335356.29198408 Symmetrize density (0.00383s) stopped
T01 << 1462335356.29236603 Pseudo density (149.99629s) stopped
T01 >> 1462335356.29238510 Atomic density matrices (20.97827s) started
T01 << 1462335356.53744888 Atomic density matrices (21.22333s) stopped
T01 >> 1462335356.53748202 Multipole moments (0.30610s) started
T01 << 1462335356.54123592 Multipole moments (0.30985s) stopped
T01 >> 1462335356.54125810 Normalize (0.09220s) started
T01 << 1462335356.54228401 Normalize (0.09322s) stopped
T01 >> 1462335356.54232597 Mix (10.49316s) started
T01 << 1462335356.64980793 Mix (10.60065s) stopped
T01 << 1462335356.64990091 Density (182.22911s) stopped
T01 >> 1462335356.65001106 Hamiltonian (2055.74971s) started
T01 >> 1462335356.65003300 vbar (0.98980s) started
T01 << 1462335356.66253996 vbar (1.00231s) stopped
T01 >> 1462335356.66262507 XC 3D grid (898.19690s) started
T01 >> 1462335356.83579707 van der Waals (866.59210s) started
T01 >> 1462335356.87862897 semilocal (197.80796s) started
T01 << 1462335359.12995291 semilocal (200.05928s) stopped
T01 >> 1462335359.16093302 redistribute (98.98230s) started
T01 << 1462335359.53260493 redistribute (99.35398s) stopped
T01 >> 1462335359.53265309 libvdwxc nonlocal (563.19239s) started
T01 << 1462335365.81820011 libvdwxc nonlocal (569.47793s) stopped
T01 >> 1462335365.81828594 redistribute (99.35401s) started
T01 << 1462335366.55889297 redistribute (100.09461s) stopped
T01 << 1462335366.56024098 van der Waals (876.31655s) stopped
T01 << 1462335366.73985791 XC 3D grid (908.27413s) stopped
T01 >> 1462335366.73989892 Poisson (208.99274s) started
T01 << 1462335369.63336301 Poisson (211.88620s) stopped
T01 >> 1462335369.63341594 Hartree integrate/restrict (7.14601s) started
T01 << 1462335369.64882708 Hartree integrate/restrict (7.16143s) stopped
T01 >> 1462335369.64889002 Hartree integrate/restrict (7.16147s) started
T01 << 1462335369.71242404 Hartree integrate/restrict (7.22501s) stopped
T01 >> 1462335369.73567796 Atomic (552.00515s) started
T01 >> 1462335369.74488807 XC Correction (550.90401s) started
T01 << 1462335375.91377211 XC Correction (557.07289s) stopped
T01 << 1462335375.91680694 Atomic (558.18627s) stopped
T01 >> 1462335375.91691804 Communicate (386.49272s) started
T01 << 1462335381.01977706 Communicate (391.59558s) stopped
T01 << 1462335381.01980209 Hamiltonian (2080.11950s) stopped
T01 >> 1462335381.01986694 LCAO eigensolver (754.89004s) started
T01 >> 1462335381.01988006 Potential matrix (23.70107s) started
T01 << 1462335381.27559805 Potential matrix (23.95679s) stopped
T01 >> 1462335381.27566600 DistributedAtomicCorrection (127.46709s) started
T01 << 1462335382.60662389 DistributedAtomicCorrection (128.79804s) stopped
T01 >> 1462335382.60669208 Distribute overlap matrix (103.81421s) started
T01 >> 1462335382.60671306 blocked summation (98.24452s) started
T01 << 1462335383.68782306 blocked summation (99.32563s) stopped
T01 >> 1462335383.68861389 Scalapack redistribute (5.41020s) started
T01 << 1462335383.74480605 Scalapack redistribute (5.46639s) stopped
T01 << 1462335383.74487495 Distribute overlap matrix (104.95239s) stopped
T01 >> 1462335383.74546003 Blacs Orbital Layouts (259.33378s) started
T01 >> 1462335383.74677992 General diagonalize (254.22644s) started
T01 << 1462335386.36543798 General diagonalize (256.84510s) stopped
T01 >> 1462335386.36548901 Redistribute coefs (0.26632s) started
T01 << 1462335386.36789989 Redistribute coefs (0.26873s) stopped
T01 >> 1462335386.36796188 Send coefs to domains (4.69136s) started
T01 << 1462335386.41704011 Send coefs to domains (4.74043s) stopped
T01 << 1462335386.41733408 Blacs Orbital Layouts (262.00565s) stopped
T01 >> 1462335386.41737509 Calculate projections (240.49010s) started
T01 << 1462335388.96354198 Calculate projections (243.03627s) stopped
T01 << 1462335388.96359992 LCAO eigensolver (762.83377s) stopped
T01 >> 1462335388.96427298 Density (182.22912s) started
T01 >> 1462335388.96428490 Pseudo density (149.99630s) started
T01 >> 1462335388.96467996 Calculate density matrix (134.59843s) started
T01 << 1462335390.46655798 Calculate density matrix (136.10031s) stopped
T01 >> 1462335390.46662998 Construct density (15.14295s) started
T01 << 1462335390.63475299 Construct density (15.31108s) stopped
T01 >> 1462335390.63589096 Symmetrize density (0.00384s) started
T01 << 1462335390.63592005 Symmetrize density (0.00387s) stopped
T01 << 1462335390.63628888 Pseudo density (151.66831s) stopped
T01 >> 1462335390.63630795 Atomic density matrices (21.22336s) started
T01 << 1462335390.88227797 Atomic density matrices (21.46933s) stopped
T01 >> 1462335390.88231111 Multipole moments (0.30987s) started
T01 << 1462335390.88604307 Multipole moments (0.31360s) stopped
T01 >> 1462335390.88606501 Normalize (0.09325s) started
T01 << 1462335390.88708591 Normalize (0.09427s) stopped
T01 >> 1462335390.88712692 Mix (10.60073s) started
T01 << 1462335390.99851394 Mix (10.71212s) stopped
T01 << 1462335390.99858904 Density (184.26344s) stopped
T01 >> 1462335390.99868894 Hamiltonian (2080.11951s) started
T01 >> 1462335390.99870801 vbar (1.00236s) started
T01 << 1462335391.01131797 vbar (1.01497s) stopped
T01 >> 1462335391.01140904 XC 3D grid (908.27416s) started
T01 >> 1462335391.19124603 van der Waals (876.31658s) started
T01 >> 1462335391.23400307 semilocal (200.05932s) started
T01 << 1462335393.48282290 semilocal (202.30814s) stopped
T01 >> 1462335393.51208091 redistribute (100.09465s) started
T01 << 1462335393.89130592 redistribute (100.47388s) stopped
T01 >> 1462335393.89136696 libvdwxc nonlocal (569.47799s) started
T01 << 1462335400.19166708 libvdwxc nonlocal (575.77829s) stopped
T01 >> 1462335400.19174695 redistribute (100.47392s) started
T01 << 1462335400.92438412 redistribute (101.20656s) stopped
T01 << 1462335400.92587090 van der Waals (886.05121s) stopped
T01 << 1462335401.10080004 XC 3D grid (918.36355s) stopped
T01 >> 1462335401.10083890 Poisson (211.88624s) started
T01 << 1462335403.97883511 Poisson (214.76424s) stopped
T01 >> 1462335403.97888589 Hartree integrate/restrict (7.22503s) started
T01 << 1462335403.99432898 Hartree integrate/restrict (7.24047s) stopped
T01 >> 1462335403.99438596 Hartree integrate/restrict (7.24051s) started
T01 << 1462335404.05633807 Hartree integrate/restrict (7.30246s) stopped
T01 >> 1462335404.07975602 Atomic (558.18629s) started
T01 >> 1462335404.08898902 XC Correction (557.07291s) started
T01 << 1462335410.25578094 XC Correction (563.23970s) stopped
T01 << 1462335410.25879788 Atomic (564.36533s) stopped
T01 >> 1462335410.25890994 Communicate (391.59560s) started
T01 << 1462335415.03862309 Communicate (396.37531s) stopped
T01 << 1462335415.03865790 Hamiltonian (2104.15948s) stopped
T01 >> 1462335415.03876209 LCAO eigensolver (762.83379s) started
T01 >> 1462335415.03877592 Potential matrix (23.95683s) started
T01 << 1462335415.29334211 Potential matrix (24.21139s) stopped
T01 >> 1462335415.29340506 DistributedAtomicCorrection (128.79808s) started
T01 << 1462335416.61451292 DistributedAtomicCorrection (130.11918s) stopped
T01 >> 1462335416.61457896 Distribute overlap matrix (104.95240s) started
T01 >> 1462335416.61459899 blocked summation (99.32567s) started
T01 << 1462335417.69898200 blocked summation (100.41005s) stopped
T01 >> 1462335417.69988394 Scalapack redistribute (5.46643s) started
T01 << 1462335417.75913405 Scalapack redistribute (5.52568s) stopped
T01 << 1462335417.75920200 Distribute overlap matrix (106.09702s) stopped
T01 >> 1462335417.75978398 Blacs Orbital Layouts (262.00567s) started
T01 >> 1462335417.76095605 General diagonalize (256.84513s) started
T01 << 1462335420.40309596 General diagonalize (259.48727s) stopped
T01 >> 1462335420.40314698 Redistribute coefs (0.26876s) started
T01 << 1462335420.40631294 Redistribute coefs (0.27192s) stopped
T01 >> 1462335420.40635109 Send coefs to domains (4.74047s) started
T01 << 1462335420.45487809 Send coefs to domains (4.78900s) stopped
T01 << 1462335420.45513701 Blacs Orbital Layouts (264.70102s) stopped
T01 >> 1462335420.45518208 Calculate projections (243.03631s) started
T01 << 1462335423.00122190 Calculate projections (245.58235s) stopped
T01 << 1462335423.00128007 LCAO eigensolver (770.79631s) stopped
T01 >> 1462335423.00213289 Density (184.26347s) started
T01 >> 1462335423.00214505 Pseudo density (151.66832s) started
T01 >> 1462335423.00257111 Calculate density matrix (136.10034s) started
T01 << 1462335424.51232600 Calculate density matrix (137.61010s) stopped
T01 >> 1462335424.51237512 Construct density (15.31111s) started
T01 << 1462335424.68054008 Construct density (15.47927s) stopped
T01 >> 1462335424.68183398 Symmetrize density (0.00388s) started
T01 << 1462335424.68186402 Symmetrize density (0.00391s) stopped
T01 << 1462335424.68222904 Pseudo density (153.34840s) stopped
T01 >> 1462335424.68224812 Atomic density matrices (21.46935s) started
T01 << 1462335424.92707396 Atomic density matrices (21.71417s) stopped
T01 >> 1462335424.92710710 Multipole moments (0.31362s) started
T01 << 1462335424.93086910 Multipole moments (0.31738s) stopped
T01 >> 1462335424.93089008 Normalize (0.09431s) started
T01 << 1462335424.93190503 Normalize (0.09532s) stopped
T01 >> 1462335424.93194699 Mix (10.71219s) started
T01 << 1462335425.04706311 Mix (10.82731s) stopped
T01 << 1462335425.04715991 Density (186.30850s) stopped
T01 >> 1462335425.04724598 Hamiltonian (2104.15949s) started
T01 >> 1462335425.04726410 vbar (1.01502s) started
T01 << 1462335425.05969810 vbar (1.02746s) stopped
T01 >> 1462335425.05978394 XC 3D grid (918.36358s) started
T01 >> 1462335425.22763300 van der Waals (886.05132s) started
T01 >> 1462335425.27057600 semilocal (202.30819s) started
T01 << 1462335427.51204205 semilocal (204.54966s) stopped
T01 >> 1462335427.54178405 redistribute (101.20662s) started
T01 << 1462335427.92252994 redistribute (101.58737s) stopped
T01 >> 1462335427.92258096 libvdwxc nonlocal (575.77834s) started
T01 << 1462335434.21708393 libvdwxc nonlocal (582.07284s) stopped
T01 >> 1462335434.21716499 redistribute (101.58740s) started
T01 << 1462335434.95371008 redistribute (102.32394s) stopped
T01 << 1462335434.95556402 van der Waals (895.77925s) stopped
T01 << 1462335435.13415504 XC 3D grid (928.43795s) stopped
T01 >> 1462335435.13419509 Poisson (214.76427s) started
T01 << 1462335437.45362592 Poisson (217.08370s) stopped
T01 >> 1462335437.45367289 Hartree integrate/restrict (7.30249s) started
T01 << 1462335437.46896100 Hartree integrate/restrict (7.31778s) stopped
T01 >> 1462335437.46901488 Hartree integrate/restrict (7.31782s) started
T01 << 1462335437.53282690 Hartree integrate/restrict (7.38163s) stopped
T01 >> 1462335437.55243397 Atomic (564.36535s) started
T01 >> 1462335437.56167006 XC Correction (563.23972s) started
T01 << 1462335443.81055999 XC Correction (569.48861s) stopped
T01 << 1462335443.81363010 Atomic (570.62655s) stopped
T01 >> 1462335443.81375194 Communicate (396.37534s) started
T01 << 1462335448.48833489 Communicate (401.04992s) stopped
T01 << 1462335448.48836493 Hamiltonian (2127.60061s) stopped
T01 >> 1462335448.48846102 LCAO eigensolver (770.79632s) started
T01 >> 1462335448.48847508 Potential matrix (24.21143s) started
T01 << 1462335448.74585700 Potential matrix (24.46881s) stopped
T01 >> 1462335448.74592304 DistributedAtomicCorrection (130.11921s) started
T01 << 1462335450.07174492 DistributedAtomicCorrection (131.44503s) stopped
T01 >> 1462335450.07180810 Distribute overlap matrix (106.09703s) started
T01 >> 1462335450.07182908 blocked summation (100.41009s) started
T01 << 1462335451.14168692 blocked summation (101.47995s) stopped
T01 >> 1462335451.14322996 Scalapack redistribute (5.52571s) started
T01 << 1462335451.20056295 Scalapack redistribute (5.58304s) stopped
T01 << 1462335451.20063901 Distribute overlap matrix (107.22587s) stopped
T01 >> 1462335451.20121694 Blacs Orbital Layouts (264.70104s) started
T01 >> 1462335451.20236993 General diagonalize (259.48730s) started
T01 << 1462335453.82366395 General diagonalize (262.10859s) stopped
T01 >> 1462335453.82371497 Redistribute coefs (0.27195s) started
T01 << 1462335453.82689095 Redistribute coefs (0.27513s) stopped
T01 >> 1462335453.82692790 Send coefs to domains (4.78903s) started
T01 << 1462335453.87433100 Send coefs to domains (4.83643s) stopped
T01 << 1462335453.87458396 Blacs Orbital Layouts (267.37441s) stopped
T01 >> 1462335453.87464190 Calculate projections (245.58239s) started
T01 << 1462335456.42059994 Calculate projections (248.12835s) stopped
T01 << 1462335456.42086506 LCAO eigensolver (778.72872s) stopped
T01 >> 1462335456.42153192 Density (186.30851s) started
T01 >> 1462335456.42154408 Pseudo density (153.34842s) started
T01 >> 1462335456.42198491 Calculate density matrix (137.61013s) started
T01 << 1462335457.89315009 Calculate density matrix (139.08130s) stopped
T01 >> 1462335457.89321709 Construct density (15.47931s) started
T01 << 1462335458.06138110 Construct density (15.64747s) stopped
T01 >> 1462335458.06339312 Symmetrize density (0.00393s) started
T01 << 1462335458.06342101 Symmetrize density (0.00395s) stopped
T01 << 1462335458.06379795 Pseudo density (154.99067s) stopped
T01 >> 1462335458.06381798 Atomic density matrices (21.71420s) started
T01 << 1462335458.30713201 Atomic density matrices (21.95751s) stopped
T01 >> 1462335458.30716491 Multipole moments (0.31739s) started
T01 << 1462335458.31090808 Multipole moments (0.32114s) stopped
T01 >> 1462335458.31093001 Normalize (0.09535s) started
T01 << 1462335458.31194592 Normalize (0.09637s) stopped
T01 >> 1462335458.31198812 Mix (10.82740s) started
T01 << 1462335458.42717099 Mix (10.94258s) stopped
T01 << 1462335458.42724800 Density (188.31423s) stopped
T01 >> 1462335458.42740202 Hamiltonian (2127.60062s) started
T01 >> 1462335458.42742205 vbar (1.02751s) started
T01 << 1462335458.43984389 vbar (1.03993s) stopped
T01 >> 1462335458.43992710 XC 3D grid (928.43798s) started
T01 >> 1462335458.61940098 van der Waals (895.77937s) started
T01 >> 1462335458.66096807 semilocal (204.54970s) started
T01 << 1462335460.89682889 semilocal (206.78556s) stopped
T01 >> 1462335460.92493296 redistribute (102.32403s) started
T01 << 1462335461.29640794 redistribute (102.69550s) stopped
T01 >> 1462335461.29645896 libvdwxc nonlocal (582.07289s) started
T01 << 1462335467.60915804 libvdwxc nonlocal (588.38559s) stopped
T01 >> 1462335467.60923791 redistribute (102.69553s) started
T01 << 1462335468.35314393 redistribute (103.43944s) stopped
T01 << 1462335468.35432696 van der Waals (905.51429s) stopped
T01 << 1462335468.52455211 XC 3D grid (938.52261s) stopped
T01 >> 1462335468.52459407 Poisson (217.08374s) started
T01 << 1462335470.84328103 Poisson (219.40243s) stopped
T01 >> 1462335470.84333611 Hartree integrate/restrict (7.38166s) started
T01 << 1462335470.85867000 Hartree integrate/restrict (7.39699s) stopped
T01 >> 1462335470.85871792 Hartree integrate/restrict (7.39702s) started
T01 << 1462335470.92341208 Hartree integrate/restrict (7.46172s) stopped
T01 >> 1462335470.94466710 Atomic (570.62656s) started
T01 >> 1462335470.95404291 XC Correction (569.48863s) started
T01 << 1462335477.22266698 XC Correction (575.75726s) stopped
T01 << 1462335477.22569299 Atomic (576.90759s) stopped
T01 >> 1462335477.22580695 Communicate (401.04994s) started
T01 << 1462335481.89075303 Communicate (405.71488s) stopped
T01 << 1462335481.89077711 Hamiltonian (2151.06400s) stopped
T01 >> 1462335481.89083505 LCAO eigensolver (778.72874s) started
T01 >> 1462335481.89084792 Potential matrix (24.46885s) started
T01 << 1462335482.14758492 Potential matrix (24.72558s) stopped
T01 >> 1462335482.14765191 DistributedAtomicCorrection (131.44506s) started
T01 << 1462335483.48509097 DistributedAtomicCorrection (132.78250s) stopped
T01 >> 1462335483.48515296 Distribute overlap matrix (107.22588s) started
T01 >> 1462335483.48517394 blocked summation (101.47998s) started
T01 << 1462335484.55034399 blocked summation (102.54515s) stopped
T01 >> 1462335484.55186892 Scalapack redistribute (5.58308s) started
T01 << 1462335484.61126590 Scalapack redistribute (5.64247s) stopped
T01 << 1462335484.61133289 Distribute overlap matrix (108.35206s) stopped
T01 >> 1462335484.61191511 Blacs Orbital Layouts (267.37442s) started
T01 >> 1462335484.61305189 General diagonalize (262.10862s) started
T01 << 1462335487.27731705 General diagonalize (264.77289s) stopped
T01 >> 1462335487.27736807 Redistribute coefs (0.27516s) started
T01 << 1462335487.28054690 Redistribute coefs (0.27834s) stopped
T01 >> 1462335487.28058410 Send coefs to domains (4.83647s) started
T01 << 1462335487.32802296 Send coefs to domains (4.88391s) stopped
T01 << 1462335487.32827401 Blacs Orbital Layouts (270.09078s) stopped
T01 >> 1462335487.32831597 Calculate projections (248.12840s) started
T01 << 1462335489.87155008 Calculate projections (250.67164s) stopped
T01 << 1462335489.87180305 LCAO eigensolver (786.70971s) stopped
T01 >> 1462335489.87262607 Density (188.31430s) started
T01 >> 1462335489.87263894 Pseudo density (154.99069s) started
T01 >> 1462335489.87305999 Calculate density matrix (139.08134s) started
T01 << 1462335491.35631299 Calculate density matrix (140.56459s) stopped
T01 >> 1462335491.35637808 Construct density (15.64750s) started
T01 << 1462335491.52440906 Construct density (15.81554s) stopped
T01 >> 1462335491.52652788 Symmetrize density (0.00397s) started
T01 << 1462335491.52655602 Symmetrize density (0.00399s) stopped
T01 << 1462335491.52693105 Pseudo density (156.64498s) stopped
T01 >> 1462335491.52695107 Atomic density matrices (21.95753s) started
T01 << 1462335491.77100897 Atomic density matrices (22.20159s) stopped
T01 >> 1462335491.77104211 Multipole moments (0.32115s) started
T01 << 1462335491.77484798 Multipole moments (0.32496s) stopped
T01 >> 1462335491.77486897 Normalize (0.09640s) started
T01 << 1462335491.77588606 Normalize (0.09742s) stopped
T01 >> 1462335491.77592707 Mix (10.94266s) started
T01 << 1462335491.89201307 Mix (11.05874s) stopped
T01 << 1462335491.89205909 Density (190.33373s) stopped
T01 >> 1462335491.89215302 Hamiltonian (2151.06401s) started
T01 >> 1462335491.89217401 vbar (1.03998s) started
T01 << 1462335491.90487003 vbar (1.05267s) stopped
T01 >> 1462335491.90494895 XC 3D grid (938.52264s) started
T01 >> 1462335492.07809401 van der Waals (905.51438s) started
T01 >> 1462335492.12126803 semilocal (206.78561s) started
T01 << 1462335494.35876894 semilocal (209.02311s) stopped
T01 >> 1462335494.38833189 redistribute (103.43949s) started
T01 << 1462335494.75690699 redistribute (103.80806s) stopped
T01 >> 1462335494.75695610 libvdwxc nonlocal (588.38563s) started
T01 << 1462335501.09248209 libvdwxc nonlocal (594.72116s) stopped
T01 >> 1462335501.09254909 redistribute (103.80809s) started
T01 << 1462335501.84212804 redistribute (104.55767s) stopped
T01 << 1462335501.84408903 van der Waals (915.28037s) stopped
T01 << 1462335502.01773691 XC 3D grid (948.63543s) stopped
T01 >> 1462335502.01777697 Poisson (219.40247s) started
T01 << 1462335504.90806699 Poisson (222.29276s) stopped
T01 >> 1462335504.90811801 Hartree integrate/restrict (7.46174s) started
T01 << 1462335504.92343402 Hartree integrate/restrict (7.47706s) stopped
T01 >> 1462335504.92351198 Hartree integrate/restrict (7.47711s) started
T01 << 1462335504.98767996 Hartree integrate/restrict (7.54128s) stopped
T01 >> 1462335505.00903511 Atomic (576.90760s) started
T01 >> 1462335505.01836705 XC Correction (575.75728s) started
T01 << 1462335511.34709811 XC Correction (582.08601s) stopped
T01 << 1462335511.35013795 Atomic (583.24871s) stopped
T01 >> 1462335511.35024905 Communicate (405.71490s) started
T01 << 1462335515.93990397 Communicate (410.30456s) stopped
T01 << 1462335515.93992805 Hamiltonian (2175.11178s) stopped
T01 >> 1462335515.93998599 LCAO eigensolver (786.70972s) started
T01 >> 1462335515.93999910 Potential matrix (24.72562s) started
T01 << 1462335516.19274211 Potential matrix (24.97837s) stopped
T01 >> 1462335516.19280910 DistributedAtomicCorrection (132.78253s) started
T01 << 1462335517.51852298 DistributedAtomicCorrection (134.10824s) stopped
T01 >> 1462335517.51858711 Distribute overlap matrix (108.35207s) started
T01 >> 1462335517.51861095 blocked summation (102.54519s) started
T01 << 1462335518.59631610 blocked summation (103.62289s) stopped
T01 >> 1462335518.59822106 Scalapack redistribute (5.64250s) started
T01 << 1462335518.65638709 Scalapack redistribute (5.70067s) stopped
T01 << 1462335518.65645790 Distribute overlap matrix (109.48994s) stopped
T01 >> 1462335518.65704012 Blacs Orbital Layouts (270.09080s) started
T01 >> 1462335518.65818000 General diagonalize (264.77292s) started
T01 << 1462335521.29679990 General diagonalize (267.41154s) stopped
T01 >> 1462335521.29685211 Redistribute coefs (0.27836s) started
T01 << 1462335521.29946709 Redistribute coefs (0.28098s) stopped
T01 >> 1462335521.29950500 Send coefs to domains (4.88394s) started
T01 << 1462335521.34786391 Send coefs to domains (4.93230s) stopped
T01 << 1462335521.34810495 Blacs Orbital Layouts (272.78187s) stopped
T01 >> 1462335521.34814811 Calculate projections (250.67168s) started
T01 << 1462335523.89140892 Calculate projections (253.21494s) stopped
T01 << 1462335523.89182401 LCAO eigensolver (794.66156s) stopped
T01 >> 1462335523.89246106 Density (190.33375s) started
T01 >> 1462335523.89247298 Pseudo density (156.64499s) started
T01 >> 1462335523.89289689 Calculate density matrix (140.56462s) started
T01 << 1462335525.37175012 Calculate density matrix (142.04348s) stopped
T01 >> 1462335525.37182093 Construct density (15.81557s) started
T01 << 1462335525.53997302 Construct density (15.98372s) stopped
T01 >> 1462335525.54197502 Symmetrize density (0.00401s) started
T01 << 1462335525.54200506 Symmetrize density (0.00404s) stopped
T01 << 1462335525.54237390 Pseudo density (158.29490s) stopped
T01 >> 1462335525.54241395 Atomic density matrices (22.20161s) started
T01 << 1462335525.78664994 Atomic density matrices (22.44585s) stopped
T01 >> 1462335525.78668308 Multipole moments (0.32497s) started
T01 << 1462335525.79050994 Multipole moments (0.32880s) stopped
T01 >> 1462335525.79053211 Normalize (0.09745s) started
T01 << 1462335525.79155898 Normalize (0.09848s) stopped
T01 >> 1462335525.79159999 Mix (11.05879s) started
T01 << 1462335525.90718389 Mix (11.17437s) stopped
T01 << 1462335525.90725207 Density (192.34854s) stopped
T01 >> 1462335525.90736103 Hamiltonian (2175.11179s) started
T01 >> 1462335525.90738201 vbar (1.05272s) started
T01 << 1462335525.91978192 vbar (1.06512s) stopped
T01 >> 1462335525.91989708 XC 3D grid (948.63546s) started
T01 >> 1462335526.09935308 van der Waals (915.28042s) started
T01 >> 1462335526.14197397 semilocal (209.02317s) started
T01 << 1462335528.38357401 semilocal (211.26477s) stopped
T01 >> 1462335528.41299391 redistribute (104.55779s) started
T01 << 1462335528.79731894 redistribute (104.94211s) stopped
T01 >> 1462335528.79736996 libvdwxc nonlocal (594.72120s) started
T01 << 1462335535.10995197 libvdwxc nonlocal (601.03378s) stopped
T01 >> 1462335535.11003399 redistribute (104.94214s) started
T01 << 1462335535.85799503 redistribute (105.69010s) stopped
T01 << 1462335535.85978007 van der Waals (925.04085s) stopped
T01 << 1462335536.02883911 XC 3D grid (958.74440s) stopped
T01 >> 1462335536.02887607 Poisson (222.29279s) started
T01 << 1462335538.33481789 Poisson (224.59873s) stopped
T01 >> 1462335538.33488703 Hartree integrate/restrict (7.54130s) started
T01 << 1462335538.35013795 Hartree integrate/restrict (7.55656s) stopped
T01 >> 1462335538.35018992 Hartree integrate/restrict (7.55659s) started
T01 << 1462335538.41412807 Hartree integrate/restrict (7.62053s) stopped
T01 >> 1462335538.43586612 Atomic (583.24872s) started
T01 >> 1462335538.44510007 XC Correction (582.08603s) started
T01 << 1462335544.75842094 XC Correction (588.39935s) stopped
T01 << 1462335544.76142693 Atomic (589.57428s) stopped
T01 >> 1462335544.76153708 Communicate (410.30457s) started
T01 << 1462335549.35949612 Communicate (414.90253s) stopped
T01 << 1462335549.35951996 Hamiltonian (2198.56395s) stopped
T01 >> 1462335549.35957694 LCAO eigensolver (794.66158s) started
T01 >> 1462335549.35959005 Potential matrix (24.97840s) started
T01 << 1462335549.61225200 Potential matrix (25.23106s) stopped
T01 >> 1462335549.61231303 DistributedAtomicCorrection (134.10827s) started
T01 << 1462335550.94077396 DistributedAtomicCorrection (135.43673s) stopped
T01 >> 1462335550.94083691 Distribute overlap matrix (109.48995s) started
T01 >> 1462335550.94085693 blocked summation (103.62292s) started
T01 << 1462335552.03955197 blocked summation (104.72162s) stopped
T01 >> 1462335552.04106402 Scalapack redistribute (5.70070s) started
T01 << 1462335552.09962797 Scalapack redistribute (5.75926s) stopped
T01 << 1462335552.09970093 Distribute overlap matrix (110.64882s) stopped
T01 >> 1462335552.10028005 Blacs Orbital Layouts (272.78188s) started
T01 >> 1462335552.10142207 General diagonalize (267.41158s) started
T01 << 1462335554.71228290 General diagonalize (270.02244s) stopped
T01 >> 1462335554.71233511 Redistribute coefs (0.28101s) started
T01 << 1462335554.71564388 Redistribute coefs (0.28432s) stopped
T01 >> 1462335554.71567988 Send coefs to domains (4.93233s) started
T01 << 1462335554.76370597 Send coefs to domains (4.98036s) stopped
T01 << 1462335554.76395702 Blacs Orbital Layouts (275.44556s) stopped
T01 >> 1462335554.76400089 Calculate projections (253.21499s) started
T01 << 1462335557.30731201 Calculate projections (255.75830s) stopped
T01 << 1462335557.30757189 LCAO eigensolver (802.60957s) stopped
T01 >> 1462335557.30825090 Density (192.34855s) started
T01 >> 1462335557.30826306 Pseudo density (158.29493s) started
T01 >> 1462335557.30869889 Calculate density matrix (142.04351s) started
T01 << 1462335558.78629804 Calculate density matrix (143.52111s) stopped
T01 >> 1462335558.78636408 Construct density (15.98375s) started
T01 << 1462335558.95433307 Construct density (16.15172s) stopped
T01 >> 1462335558.95634604 Symmetrize density (0.00405s) started
T01 << 1462335558.95637393 Symmetrize density (0.00408s) stopped
T01 << 1462335558.95674896 Pseudo density (159.94342s) stopped
T01 >> 1462335558.95676899 Atomic density matrices (22.44587s) started
T01 << 1462335559.20038605 Atomic density matrices (22.68949s) stopped
T01 >> 1462335559.20041895 Multipole moments (0.32881s) started
T01 << 1462335559.20424604 Multipole moments (0.33264s) stopped
T01 >> 1462335559.20426798 Normalize (0.09851s) started
T01 << 1462335559.20529008 Normalize (0.09953s) stopped
T01 >> 1462335559.20532894 Mix (11.17443s) started
T01 << 1462335559.32050300 Mix (11.28961s) stopped
T01 << 1462335559.32058907 Density (194.36089s) stopped
T01 >> 1462335559.32071996 Hamiltonian (2198.56397s) started
T01 >> 1462335559.32073998 vbar (1.06519s) started
T01 << 1462335559.33311510 vbar (1.07756s) stopped
T01 >> 1462335559.33319092 XC 3D grid (958.74443s) started
T01 >> 1462335559.50667405 van der Waals (925.04093s) started
T01 >> 1462335559.54868698 semilocal (211.26486s) started
T01 << 1462335561.78826189 semilocal (213.50444s) stopped
T01 >> 1462335561.81707096 redistribute (105.69020s) started
T01 << 1462335562.19166398 redistribute (106.06479s) stopped
T01 >> 1462335562.19171500 libvdwxc nonlocal (601.03383s) started
T01 << 1462335568.51648211 libvdwxc nonlocal (607.35860s) stopped
T01 >> 1462335568.51656199 redistribute (106.06482s) started
T01 << 1462335569.26516390 redistribute (106.81342s) stopped
T01 << 1462335569.26684904 van der Waals (934.80110s) stopped
T01 << 1462335569.43629599 XC 3D grid (968.84754s) stopped
T01 >> 1462335569.43633389 Poisson (224.59878s) started
T01 << 1462335571.74898505 Poisson (226.91143s) stopped
T01 >> 1462335571.74903107 Hartree integrate/restrict (7.62057s) started
T01 << 1462335571.76449299 Hartree integrate/restrict (7.63603s) stopped
T01 >> 1462335571.76453590 Hartree integrate/restrict (7.63606s) started
T01 << 1462335571.82870698 Hartree integrate/restrict (7.70023s) stopped
T01 >> 1462335571.85087299 Atomic (589.57430s) started
T01 >> 1462335571.86016297 XC Correction (588.39937s) started
T01 << 1462335578.15159893 XC Correction (594.69080s) stopped
T01 << 1462335578.15461898 Atomic (595.87805s) stopped
T01 >> 1462335578.15473104 Communicate (414.90255s) started
T01 << 1462335582.87219405 Communicate (419.62001s) stopped
T01 << 1462335582.87221694 Hamiltonian (2222.11546s) stopped
T01 >> 1462335582.87227607 LCAO eigensolver (802.60959s) started
T01 >> 1462335582.87228894 Potential matrix (25.23110s) started
T01 << 1462335583.12506509 Potential matrix (25.48387s) stopped
T01 >> 1462335583.12512994 DistributedAtomicCorrection (135.43676s) started
T01 << 1462335584.45262289 DistributedAtomicCorrection (136.76425s) stopped
T01 >> 1462335584.45268703 Distribute overlap matrix (110.64883s) started
T01 >> 1462335584.45270801 blocked summation (104.72165s) started
T01 << 1462335585.54438710 blocked summation (105.81333s) stopped
T01 >> 1462335585.54596806 Scalapack redistribute (5.75930s) started
T01 << 1462335585.60361600 Scalapack redistribute (5.81694s) stopped
T01 << 1462335585.60369205 Distribute overlap matrix (111.79983s) stopped
T01 >> 1462335585.60426807 Blacs Orbital Layouts (275.44558s) started
T01 >> 1462335585.60539699 General diagonalize (270.02247s) started
T01 << 1462335588.23113108 General diagonalize (272.64820s) stopped
T01 >> 1462335588.23118210 Redistribute coefs (0.28435s) started
T01 << 1462335588.23427296 Redistribute coefs (0.28744s) stopped
T01 >> 1462335588.23430991 Send coefs to domains (4.98039s) started
T01 << 1462335588.28347492 Send coefs to domains (5.02955s) stopped
T01 << 1462335588.28373408 Blacs Orbital Layouts (278.12504s) stopped
T01 >> 1462335588.28378105 Calculate projections (255.75835s) started
T01 << 1462335590.82656193 Calculate projections (258.30113s) stopped
T01 << 1462335590.82681704 LCAO eigensolver (810.56413s) stopped
T01 >> 1462335590.82763696 Density (194.36092s) started
T01 >> 1462335590.82765007 Pseudo density (159.94343s) started
T01 >> 1462335590.82810211 Calculate density matrix (143.52115s) started
T01 << 1462335592.30937791 Calculate density matrix (145.00242s) stopped
T01 >> 1462335592.30944490 Construct density (16.15176s) started
T01 << 1462335592.47753501 Construct density (16.31985s) stopped
T01 >> 1462335592.47966290 Symmetrize density (0.00409s) started
T01 << 1462335592.47969389 Symmetrize density (0.00412s) stopped
T01 << 1462335592.48005795 Pseudo density (161.59584s) stopped
T01 >> 1462335592.48007703 Atomic density matrices (22.68951s) started
T01 << 1462335592.72383499 Atomic density matrices (22.93327s) stopped
T01 >> 1462335592.72386789 Multipole moments (0.33265s) started
T01 << 1462335592.72768497 Multipole moments (0.33647s) stopped
T01 >> 1462335592.72770691 Normalize (0.09956s) started
T01 << 1462335592.72873592 Normalize (0.10059s) stopped
T01 >> 1462335592.72877407 Mix (11.28969s) started
T01 << 1462335592.84488297 Mix (11.40580s) stopped
T01 << 1462335592.84496188 Density (196.37825s) stopped
T01 >> 1462335592.84506989 Hamiltonian (2222.11548s) started
T01 >> 1462335592.84508991 vbar (1.07761s) started
T01 << 1462335592.85773611 vbar (1.09025s) stopped
T01 >> 1462335592.85781908 XC 3D grid (968.84757s) started
T01 >> 1462335593.03106403 van der Waals (934.80121s) started
T01 >> 1462335593.07383204 semilocal (213.50448s) started
T01 << 1462335595.32331896 semilocal (215.75397s) stopped
T01 >> 1462335595.35286188 redistribute (106.81356s) started
T01 << 1462335595.72743893 redistribute (107.18814s) stopped
T01 >> 1462335595.72748804 libvdwxc nonlocal (607.35865s) started
T01 << 1462335602.04595304 libvdwxc nonlocal (613.67711s) stopped
T01 >> 1462335602.04601192 redistribute (107.18817s) started
T01 << 1462335602.79103208 redistribute (107.93319s) stopped
T01 << 1462335602.79267597 van der Waals (944.56282s) stopped
T01 << 1462335602.96300411 XC 3D grid (978.95275s) stopped
T01 >> 1462335602.96304393 Poisson (226.91147s) started
T01 << 1462335605.27039790 Poisson (229.21882s) stopped
T01 >> 1462335605.27044702 Hartree integrate/restrict (7.70026s) started
T01 << 1462335605.28583193 Hartree integrate/restrict (7.71564s) stopped
T01 >> 1462335605.28589702 Hartree integrate/restrict (7.71568s) started
T01 << 1462335605.34884310 Hartree integrate/restrict (7.77863s) stopped
T01 >> 1462335605.37132406 Atomic (595.87806s) started
T01 >> 1462335605.38072205 XC Correction (594.69083s) started
T01 << 1462335611.67987704 XC Correction (600.98999s) stopped
T01 << 1462335611.68307495 Atomic (602.18981s) stopped
T01 >> 1462335611.68318510 Communicate (419.62003s) started
T01 << 1462335616.33256888 Communicate (424.26941s) stopped
T01 << 1462335616.33259392 Hamiltonian (2245.60300s) stopped
T01 >> 1462335616.33266211 LCAO eigensolver (810.56415s) started
T01 >> 1462335616.33267593 Potential matrix (25.48391s) started
T01 << 1462335616.58605003 Potential matrix (25.73728s) stopped
T01 >> 1462335616.58611298 DistributedAtomicCorrection (136.76428s) started
T01 << 1462335617.91903090 DistributedAtomicCorrection (138.09720s) stopped
T01 >> 1462335617.91909409 Distribute overlap matrix (111.79984s) started
T01 >> 1462335617.91911507 blocked summation (105.81336s) started
T01 << 1462335619.00899291 blocked summation (106.90324s) stopped
T01 >> 1462335619.01025605 Scalapack redistribute (5.81697s) started
T01 << 1462335619.06961298 Scalapack redistribute (5.87633s) stopped
T01 << 1462335619.06968188 Distribute overlap matrix (112.95043s) stopped
T01 >> 1462335619.07026792 Blacs Orbital Layouts (278.12506s) started
T01 >> 1462335619.07186389 General diagonalize (272.64823s) started
T01 << 1462335621.68714905 General diagonalize (275.26352s) stopped
T01 >> 1462335621.68720007 Redistribute coefs (0.28747s) started
T01 << 1462335621.68993807 Redistribute coefs (0.29021s) stopped
T01 >> 1462335621.68997502 Send coefs to domains (5.02959s) started
T01 << 1462335621.73810410 Send coefs to domains (5.07772s) stopped
T01 << 1462335621.73853898 Blacs Orbital Layouts (280.79333s) stopped
T01 >> 1462335621.73858500 Calculate projections (258.30118s) started
T01 << 1462335624.28164506 Calculate projections (260.84424s) stopped
T01 << 1462335624.28190207 LCAO eigensolver (818.51339s) stopped
T01 >> 1462335624.28256607 Density (196.37827s) started
T01 >> 1462335624.28257799 Pseudo density (161.59585s) started
T01 >> 1462335624.28301907 Calculate density matrix (145.00246s) started
T01 << 1462335625.76431704 Calculate density matrix (146.48375s) stopped
T01 >> 1462335625.76438689 Construct density (16.31988s) started
T01 << 1462335625.93259501 Construct density (16.48809s) stopped
T01 >> 1462335625.93459511 Symmetrize density (0.00413s) started
T01 << 1462335625.93462706 Symmetrize density (0.00416s) stopped
T01 << 1462335625.93499303 Pseudo density (163.24827s) stopped
T01 >> 1462335625.93501210 Atomic density matrices (22.93329s) started
T01 << 1462335626.17828393 Atomic density matrices (23.17657s) stopped
T01 >> 1462335626.17831707 Multipole moments (0.33649s) started
T01 << 1462335626.18220806 Multipole moments (0.34038s) stopped
T01 >> 1462335626.18223000 Normalize (0.10062s) started
T01 << 1462335626.18325996 Normalize (0.10165s) stopped
T01 >> 1462335626.18329906 Mix (11.40587s) started
T01 << 1462335626.30017710 Mix (11.52275s) stopped
T01 << 1462335626.30026603 Density (198.39597s) stopped
T01 >> 1462335626.30038404 Hamiltonian (2245.60302s) started
T01 >> 1462335626.30040312 vbar (1.09030s) started
T01 << 1462335626.31230593 vbar (1.10220s) stopped
T01 >> 1462335626.31239510 XC 3D grid (978.95278s) started
T01 >> 1462335626.49144697 van der Waals (944.56289s) started
T01 >> 1462335626.53336692 semilocal (215.75403s) started
T01 << 1462335628.76397896 semilocal (217.98464s) stopped
T01 >> 1462335628.79357910 redistribute (107.93326s) started
T01 << 1462335629.16276598 redistribute (108.30244s) stopped
T01 >> 1462335629.16281605 libvdwxc nonlocal (613.67715s) started
T01 << 1462335635.46727395 libvdwxc nonlocal (619.98160s) stopped
T01 >> 1462335635.46735096 redistribute (108.30247s) started
T01 << 1462335636.21530795 redistribute (109.05043s) stopped
T01 << 1462335636.21695590 van der Waals (954.28840s) stopped
T01 << 1462335636.38680196 XC 3D grid (989.02719s) stopped
T01 >> 1462335636.38684392 Poisson (229.21886s) started
T01 << 1462335638.13180804 Poisson (230.96382s) stopped
T01 >> 1462335638.13186407 Hartree integrate/restrict (7.77867s) started
T01 << 1462335638.14707899 Hartree integrate/restrict (7.79388s) stopped
T01 >> 1462335638.14715004 Hartree integrate/restrict (7.79393s) started
T01 << 1462335638.21117401 Hartree integrate/restrict (7.85796s) stopped
T01 >> 1462335638.23241210 Atomic (602.18983s) started
T01 >> 1462335638.24174309 XC Correction (600.99001s) started
T01 << 1462335644.53224897 XC Correction (607.28051s) stopped
T01 << 1462335644.53526902 Atomic (608.49269s) stopped
T01 >> 1462335644.53538203 Communicate (424.26943s) started
T01 << 1462335649.41387105 Communicate (429.14791s) stopped
T01 << 1462335649.41389489 Hamiltonian (2268.71653s) stopped
T01 >> 1462335649.41395402 LCAO eigensolver (818.51340s) started
T01 >> 1462335649.41396689 Potential matrix (25.73732s) started
T01 << 1462335649.66876793 Potential matrix (25.99212s) stopped
T01 >> 1462335649.66883111 DistributedAtomicCorrection (138.09723s) started
T01 << 1462335650.99336696 DistributedAtomicCorrection (139.42177s) stopped
T01 >> 1462335650.99343109 Distribute overlap matrix (112.95044s) started
T01 >> 1462335650.99345112 blocked summation (106.90327s) started
T01 << 1462335652.10518694 blocked summation (108.01501s) stopped
T01 >> 1462335652.10671496 Scalapack redistribute (5.87636s) started
T01 << 1462335652.16486502 Scalapack redistribute (5.93451s) stopped
T01 << 1462335652.16493797 Distribute overlap matrix (114.12195s) stopped
T01 >> 1462335652.16551995 Blacs Orbital Layouts (280.79335s) started
T01 >> 1462335652.16666389 General diagonalize (275.26355s) started
T01 << 1462335654.79220104 General diagonalize (277.88909s) stopped
T01 >> 1462335654.79225206 Redistribute coefs (0.29023s) started
T01 << 1462335654.79545593 Redistribute coefs (0.29344s) stopped
T01 >> 1462335654.79551697 Send coefs to domains (5.07775s) started
T01 << 1462335654.84439301 Send coefs to domains (5.12663s) stopped
T01 << 1462335654.84464693 Blacs Orbital Layouts (283.47248s) stopped
T01 >> 1462335654.84469199 Calculate projections (260.84429s) started
T01 << 1462335657.38741589 Calculate projections (263.38701s) stopped
T01 << 1462335657.38767505 LCAO eigensolver (826.48712s) stopped
T01 >> 1462335657.38834000 Density (198.39598s) started
T01 >> 1462335657.38835192 Pseudo density (163.24828s) started
T01 >> 1462335657.38878989 Calculate density matrix (146.48379s) started
T01 << 1462335658.86758804 Calculate density matrix (147.96259s) stopped
T01 >> 1462335658.86766005 Construct density (16.48812s) started
T01 << 1462335659.03562307 Construct density (16.65609s) stopped
T01 >> 1462335659.03763795 Symmetrize density (0.00417s) started
T01 << 1462335659.03766608 Symmetrize density (0.00420s) stopped
T01 << 1462335659.03803802 Pseudo density (164.89797s) stopped
T01 >> 1462335659.03805709 Atomic density matrices (23.17659s) started
T01 << 1462335659.28141809 Atomic density matrices (23.41995s) stopped
T01 >> 1462335659.28145099 Multipole moments (0.34039s) started
T01 << 1462335659.28546095 Multipole moments (0.34440s) stopped
T01 >> 1462335659.28548288 Normalize (0.10168s) started
T01 << 1462335659.28650188 Normalize (0.10270s) stopped
T01 >> 1462335659.28654289 Mix (11.52284s) started
T01 << 1462335659.40219688 Mix (11.63849s) stopped
T01 << 1462335659.40226793 Density (200.40991s) stopped
T01 >> 1462335659.40237093 Hamiltonian (2268.71654s) started
T01 >> 1462335659.40239000 vbar (1.10225s) started
T01 << 1462335659.41483808 vbar (1.11470s) stopped
T01 >> 1462335659.41491604 XC 3D grid (989.02722s) started
T01 >> 1462335659.59354496 van der Waals (954.28846s) started
T01 >> 1462335659.63520789 semilocal (217.98468s) started
T01 << 1462335661.87230206 semilocal (220.22178s) stopped
T01 >> 1462335661.90179205 redistribute (109.05050s) started
T01 << 1462335662.26570511 redistribute (109.41442s) stopped
T01 >> 1462335662.26575398 libvdwxc nonlocal (619.98165s) started
T01 << 1462335668.61726499 libvdwxc nonlocal (626.33316s) stopped
T01 >> 1462335668.61733007 redistribute (109.41445s) started
T01 << 1462335669.36526489 redistribute (110.16238s) stopped
T01 << 1462335669.36713910 van der Waals (964.06206s) stopped
T01 << 1462335669.54293394 XC 3D grid (999.15524s) stopped
T01 >> 1462335669.54297709 Poisson (230.96386s) started
T01 << 1462335671.28874111 Poisson (232.70963s) stopped
T01 >> 1462335671.28881192 Hartree integrate/restrict (7.85800s) started
T01 << 1462335671.30417109 Hartree integrate/restrict (7.87336s) stopped
T01 >> 1462335671.30421209 Hartree integrate/restrict (7.87338s) started
T01 << 1462335671.36833310 Hartree integrate/restrict (7.93750s) stopped
T01 >> 1462335671.38879490 Atomic (608.49270s) started
T01 >> 1462335671.39825201 XC Correction (607.28054s) started
T01 << 1462335677.68755198 XC Correction (613.56984s) stopped
T01 << 1462335677.69058299 Atomic (614.79449s) stopped
T01 >> 1462335677.69069910 Communicate (429.14793s) started
T01 << 1462335682.56428599 Communicate (434.02152s) stopped
T01 << 1462335682.56431007 Hamiltonian (2291.87848s) stopped
T01 >> 1462335682.56437397 LCAO eigensolver (826.48714s) started
T01 >> 1462335682.56438589 Potential matrix (25.99216s) started
T01 << 1462335682.82195210 Potential matrix (26.24972s) stopped
T01 >> 1462335682.82201600 DistributedAtomicCorrection (139.42179s) started
T01 << 1462335684.13685703 DistributedAtomicCorrection (140.73663s) stopped
T01 >> 1462335684.13692307 Distribute overlap matrix (114.12196s) started
T01 >> 1462335684.13694406 blocked summation (108.01504s) started
T01 << 1462335685.25562191 blocked summation (109.13372s) stopped
T01 >> 1462335685.25742507 Scalapack redistribute (5.93454s) started
T01 << 1462335685.31547594 Scalapack redistribute (5.99259s) stopped
T01 << 1462335685.31555200 Distribute overlap matrix (115.30059s) stopped
T01 >> 1462335685.31613588 Blacs Orbital Layouts (283.47250s) started
T01 >> 1462335685.31726694 General diagonalize (277.88912s) started
T01 << 1462335687.97606111 General diagonalize (280.54791s) stopped
T01 >> 1462335687.97611094 Redistribute coefs (0.29349s) started
T01 << 1462335687.97885299 Redistribute coefs (0.29623s) stopped
T01 >> 1462335687.97888899 Send coefs to domains (5.12666s) started
T01 << 1462335688.02784204 Send coefs to domains (5.17561s) stopped
T01 << 1462335688.02809596 Blacs Orbital Layouts (286.18446s) stopped
T01 >> 1462335688.02814007 Calculate projections (263.38706s) started
T01 << 1462335690.57091498 Calculate projections (265.92983s) stopped
T01 << 1462335690.57133007 LCAO eigensolver (834.49410s) stopped
T01 >> 1462335690.57200599 Density (200.40993s) started
T01 >> 1462335690.57201910 Pseudo density (164.89798s) started
T01 >> 1462335690.57245708 Calculate density matrix (147.96263s) started
T01 << 1462335692.05074191 Calculate density matrix (149.44091s) stopped
T01 >> 1462335692.05080891 Construct density (16.65612s) started
T01 << 1462335692.21899295 Construct density (16.82430s) stopped
T01 >> 1462335692.22099805 Symmetrize density (0.00421s) started
T01 << 1462335692.22102690 Symmetrize density (0.00424s) stopped
T01 << 1462335692.22139597 Pseudo density (166.54736s) stopped
T01 >> 1462335692.22141600 Atomic density matrices (23.41997s) started
T01 << 1462335692.46492791 Atomic density matrices (23.66348s) stopped
T01 >> 1462335692.46496105 Multipole moments (0.34442s) started
T01 << 1462335692.46887803 Multipole moments (0.34834s) stopped
T01 >> 1462335692.46889997 Normalize (0.10274s) started
T01 << 1462335692.46992111 Normalize (0.10376s) stopped
T01 >> 1462335692.46995902 Mix (11.63856s) started
T01 << 1462335692.58602595 Mix (11.75462s) stopped
T01 << 1462335692.58610606 Density (202.42403s) stopped
T01 >> 1462335692.58621192 Hamiltonian (2291.87849s) started
T01 >> 1462335692.58623600 vbar (1.11475s) started
T01 << 1462335692.59853792 vbar (1.12705s) stopped
T01 >> 1462335692.59862804 XC 3D grid (999.15527s) started
T01 >> 1462335692.77758408 van der Waals (964.06216s) started
T01 >> 1462335692.82045889 semilocal (220.22183s) started
T01 << 1462335695.06479192 semilocal (222.46616s) stopped
T01 >> 1462335695.09562707 redistribute (110.16245s) started
T01 << 1462335695.46207404 redistribute (110.52890s) stopped
T01 >> 1462335695.46212506 libvdwxc nonlocal (626.33320s) started
T01 << 1462335701.79953408 libvdwxc nonlocal (632.67061s) stopped
T01 >> 1462335701.79962993 redistribute (110.52893s) started
T01 << 1462335702.54273701 redistribute (111.27203s) stopped
T01 << 1462335702.54446602 van der Waals (973.82904s) stopped
T01 << 1462335702.71697998 XC 3D grid (1009.27362s) stopped
T01 >> 1462335702.71702099 Poisson (232.70968s) started
T01 << 1462335704.46288705 Poisson (234.45555s) stopped
T01 >> 1462335704.46293902 Hartree integrate/restrict (7.93753s) started
T01 << 1462335704.47815299 Hartree integrate/restrict (7.95275s) stopped
T01 >> 1462335704.47821212 Hartree integrate/restrict (7.95278s) started
T01 << 1462335704.54136491 Hartree integrate/restrict (8.01594s) stopped
T01 >> 1462335704.56240010 Atomic (614.79451s) started
T01 >> 1462335704.57177591 XC Correction (613.56986s) started
T01 << 1462335710.77874207 XC Correction (619.77682s) stopped
T01 << 1462335710.78178692 Atomic (621.01390s) stopped
T01 >> 1462335710.78189802 Communicate (434.02153s) started
T01 << 1462335715.76957607 Communicate (439.00921s) stopped
T01 << 1462335715.76959991 Hamiltonian (2315.06188s) stopped
T01 >> 1462335715.76966405 LCAO eigensolver (834.49412s) started
T01 >> 1462335715.76967692 Potential matrix (26.24976s) started
T01 << 1462335716.02340508 Potential matrix (26.50349s) stopped
T01 >> 1462335716.02347112 DistributedAtomicCorrection (140.73667s) started
T01 << 1462335717.35615492 DistributedAtomicCorrection (142.06935s) stopped
T01 >> 1462335717.35621810 Distribute overlap matrix (115.30060s) started
T01 >> 1462335717.35623908 blocked summation (109.13375s) started
T01 << 1462335718.45182204 blocked summation (110.22933s) stopped
T01 >> 1462335718.45338988 Scalapack redistribute (5.99262s) started
T01 << 1462335718.51181412 Scalapack redistribute (6.05105s) stopped
T01 << 1462335718.51188207 Distribute overlap matrix (116.45627s) stopped
T01 >> 1462335718.51245594 Blacs Orbital Layouts (286.18447s) started
T01 >> 1462335718.51401091 General diagonalize (280.54794s) started
T01 << 1462335721.15410995 General diagonalize (283.18804s) stopped
T01 >> 1462335721.15416193 Redistribute coefs (0.29626s) started
T01 << 1462335721.15701389 Redistribute coefs (0.29911s) stopped
T01 >> 1462335721.15704989 Send coefs to domains (5.17564s) started
T01 << 1462335721.20537305 Send coefs to domains (5.22397s) stopped
T01 << 1462335721.20580912 Blacs Orbital Layouts (288.87783s) stopped
T01 >> 1462335721.20585299 Calculate projections (265.92988s) started
T01 << 1462335723.74876809 Calculate projections (268.47280s) stopped
T01 << 1462335723.74902201 LCAO eigensolver (842.47347s) stopped
T01 >> 1462335723.74968600 Density (202.42404s) started
T01 >> 1462335723.74969792 Pseudo density (166.54737s) started
T01 >> 1462335723.75010991 Calculate density matrix (149.44095s) started
T01 << 1462335725.22931004 Calculate density matrix (150.92015s) stopped
T01 >> 1462335725.22937703 Construct density (16.82434s) started
T01 << 1462335725.39762306 Construct density (16.99258s) stopped
T01 >> 1462335725.39962912 Symmetrize density (0.00425s) started
T01 << 1462335725.39965796 Symmetrize density (0.00428s) stopped
T01 << 1462335725.40002489 Pseudo density (168.19770s) stopped
T01 >> 1462335725.40004396 Atomic density matrices (23.66351s) started
T01 << 1462335725.64292097 Atomic density matrices (23.90638s) stopped
T01 >> 1462335725.64295411 Multipole moments (0.34835s) started
T01 << 1462335725.64684796 Multipole moments (0.35224s) stopped
T01 >> 1462335725.64686894 Normalize (0.10379s) started
T01 << 1462335725.64790201 Normalize (0.10482s) stopped
T01 >> 1462335725.64794207 Mix (11.75470s) started
T01 << 1462335725.76364493 Mix (11.87040s) stopped
T01 << 1462335725.76369190 Density (204.43805s) stopped
T01 >> 1462335725.76378298 Hamiltonian (2315.06189s) started
T01 >> 1462335725.76380301 vbar (1.12710s) started
T01 << 1462335725.77634192 vbar (1.13964s) stopped
T01 >> 1462335725.77641892 XC 3D grid (1009.27365s) started
T01 >> 1462335725.95810604 van der Waals (973.82911s) started
T01 >> 1462335725.99978590 semilocal (222.46620s) started
T01 << 1462335728.24090004 semilocal (224.70732s) stopped
T01 >> 1462335728.27113008 redistribute (111.27211s) started
T01 << 1462335728.63592696 redistribute (111.63691s) stopped
T01 >> 1462335728.63597703 libvdwxc nonlocal (632.67066s) started
T01 << 1462335734.97064710 libvdwxc nonlocal (639.00533s) stopped
T01 >> 1462335734.97070408 redistribute (111.63694s) started
T01 << 1462335735.71973300 redistribute (112.38597s) stopped
T01 << 1462335735.72109795 van der Waals (983.59210s) stopped
T01 << 1462335735.89810896 XC 3D grid (1019.39534s) stopped
T01 >> 1462335735.89814806 Poisson (234.45559s) started
T01 << 1462335737.63818097 Poisson (236.19562s) stopped
T01 >> 1462335737.63822794 Hartree integrate/restrict (8.01597s) started
T01 << 1462335737.65351892 Hartree integrate/restrict (8.03126s) stopped
T01 >> 1462335737.65359211 Hartree integrate/restrict (8.03131s) started
T01 << 1462335737.71620798 Hartree integrate/restrict (8.09392s) stopped
T01 >> 1462335737.73909593 Atomic (621.01391s) started
T01 >> 1462335737.74841905 XC Correction (619.77684s) started
T01 << 1462335743.98949289 XC Correction (626.01792s) stopped
T01 << 1462335743.99253201 Atomic (627.26735s) stopped
T01 >> 1462335743.99264598 Communicate (439.00923s) started
T01 << 1462335748.96045494 Communicate (443.97704s) stopped
T01 << 1462335748.96047902 Hamiltonian (2338.25859s) stopped
T01 >> 1462335748.96053791 LCAO eigensolver (842.47349s) started
T01 >> 1462335748.96055198 Potential matrix (26.50353s) started
T01 << 1462335749.21425796 Potential matrix (26.75723s) stopped
T01 >> 1462335749.21432304 DistributedAtomicCorrection (142.06938s) started
T01 << 1462335750.54488206 DistributedAtomicCorrection (143.39994s) stopped
T01 >> 1462335750.54494596 Distribute overlap matrix (116.45628s) started
T01 >> 1462335750.54496789 blocked summation (110.22939s) started
T01 << 1462335751.63166404 blocked summation (111.31609s) stopped
T01 >> 1462335751.63319302 Scalapack redistribute (6.05108s) started
T01 << 1462335751.69163489 Scalapack redistribute (6.10952s) stopped
T01 << 1462335751.69170094 Distribute overlap matrix (117.60304s) stopped
T01 >> 1462335751.69228005 Blacs Orbital Layouts (288.87784s) started
T01 >> 1462335751.69341397 General diagonalize (283.18808s) started
T01 << 1462335754.32691097 General diagonalize (285.82157s) stopped
T01 >> 1462335754.32696104 Redistribute coefs (0.29914s) started
T01 << 1462335754.32922006 Redistribute coefs (0.30140s) stopped
T01 >> 1462335754.32928491 Send coefs to domains (5.22400s) started
T01 << 1462335754.37748194 Send coefs to domains (5.27219s) stopped
T01 << 1462335754.37773490 Blacs Orbital Layouts (291.56330s) stopped
T01 >> 1462335754.37778091 Calculate projections (268.47284s) started
T01 << 1462335756.92061710 Calculate projections (271.01568s) stopped
T01 << 1462335756.92087102 LCAO eigensolver (850.43382s) stopped
T01 >> 1462335756.92153311 Density (204.43807s) started
T01 >> 1462335756.92154503 Pseudo density (168.19771s) started
T01 >> 1462335756.92197990 Calculate density matrix (150.92019s) started
T01 << 1462335758.39278793 Calculate density matrix (152.39100s) stopped
T01 >> 1462335758.39285398 Construct density (16.99262s) started
T01 << 1462335758.56089401 Construct density (17.16066s) stopped
T01 >> 1462335758.56201410 Symmetrize density (0.00430s) started
T01 << 1462335758.56204295 Symmetrize density (0.00432s) stopped
T01 << 1462335758.56240606 Pseudo density (169.83858s) stopped
T01 >> 1462335758.56242609 Atomic density matrices (23.90641s) started
T01 << 1462335758.80712795 Atomic density matrices (24.15111s) stopped
T01 >> 1462335758.80716205 Multipole moments (0.35226s) started
T01 << 1462335758.81104589 Multipole moments (0.35614s) stopped
T01 >> 1462335758.81106710 Normalize (0.10485s) started
T01 << 1462335758.81210899 Normalize (0.10589s) stopped
T01 >> 1462335758.81214595 Mix (11.87045s) started
T01 << 1462335758.92765808 Mix (11.98596s) stopped
T01 << 1462335758.92776299 Density (206.44430s) stopped
T01 >> 1462335758.92787099 Hamiltonian (2338.25860s) started
T01 >> 1462335758.92789292 vbar (1.13968s) started
T01 << 1462335758.94017196 vbar (1.15196s) stopped
T01 >> 1462335758.94026709 XC 3D grid (1019.39537s) started
T01 >> 1462335759.11449504 van der Waals (983.59217s) started
T01 >> 1462335759.15689802 semilocal (224.70738s) started
T01 << 1462335761.39209604 semilocal (226.94258s) stopped
T01 >> 1462335761.42140388 redistribute (112.38601s) started
T01 << 1462335761.79372311 redistribute (112.75833s) stopped
T01 >> 1462335761.79377198 libvdwxc nonlocal (639.00536s) started
T01 << 1462335768.13391209 libvdwxc nonlocal (645.34550s) stopped
T01 >> 1462335768.13396811 redistribute (112.75836s) started
T01 << 1462335768.88410091 redistribute (113.50849s) stopped
T01 << 1462335768.88548303 van der Waals (993.36316s) stopped
T01 << 1462335769.06412911 XC 3D grid (1029.51924s) stopped
T01 >> 1462335769.06416893 Poisson (236.19565s) started
T01 << 1462335770.81523395 Poisson (237.94672s) stopped
T01 >> 1462335770.81528997 Hartree integrate/restrict (8.09395s) started
T01 << 1462335770.83055305 Hartree integrate/restrict (8.10921s) stopped
T01 >> 1462335770.83061695 Hartree integrate/restrict (8.10926s) started
T01 << 1462335770.89384699 Hartree integrate/restrict (8.17249s) stopped
T01 >> 1462335770.91655207 Atomic (627.26736s) started
T01 >> 1462335770.92585802 XC Correction (626.01794s) started
T01 << 1462335777.18151808 XC Correction (632.27360s) stopped
T01 << 1462335777.18453908 Atomic (633.53535s) stopped
T01 >> 1462335777.18465590 Communicate (443.97705s) started
T01 << 1462335782.15413594 Communicate (448.94653s) stopped
T01 << 1462335782.15416002 Hamiltonian (2361.48489s) stopped
T01 >> 1462335782.15421796 LCAO eigensolver (850.43384s) started
T01 >> 1462335782.15424609 Potential matrix (26.75727s) started
T01 << 1462335782.40824604 Potential matrix (27.01127s) stopped
T01 >> 1462335782.40830708 DistributedAtomicCorrection (143.39997s) started
T01 << 1462335783.74127698 DistributedAtomicCorrection (144.73294s) stopped
T01 >> 1462335783.74133897 Distribute overlap matrix (117.60305s) started
T01 >> 1462335783.74135995 blocked summation (111.31613s) started
T01 << 1462335784.83946490 blocked summation (112.41423s) stopped
T01 >> 1462335784.84033895 Scalapack redistribute (6.10955s) started
T01 << 1462335784.90021801 Scalapack redistribute (6.16943s) stopped
T01 << 1462335784.90028596 Distribute overlap matrix (118.76199s) stopped
T01 >> 1462335784.90086699 Blacs Orbital Layouts (291.56331s) started
T01 >> 1462335784.90242100 General diagonalize (285.82160s) started
T01 << 1462335787.57261896 General diagonalize (288.49180s) stopped
T01 >> 1462335787.57266998 Redistribute coefs (0.30143s) started
T01 << 1462335787.57539892 Redistribute coefs (0.30416s) stopped
T01 >> 1462335787.57543612 Send coefs to domains (5.27222s) started
T01 << 1462335787.62451291 Send coefs to domains (5.32130s) stopped
T01 << 1462335787.62492704 Blacs Orbital Layouts (294.28737s) stopped
T01 >> 1462335787.62497306 Calculate projections (271.01573s) started
T01 << 1462335790.16796708 Calculate projections (273.55872s) stopped
T01 << 1462335790.16803288 LCAO eigensolver (858.44766s) stopped
T01 >> 1462335790.16872811 Density (206.44431s) started
T01 >> 1462335790.16874003 Pseudo density (169.83859s) started
T01 >> 1462335790.16918111 Calculate density matrix (152.39103s) started
T01 << 1462335791.65299296 Calculate density matrix (153.87484s) stopped
T01 >> 1462335791.65306306 Construct density (17.16069s) started
T01 << 1462335791.82136607 Construct density (17.32899s) stopped
T01 >> 1462335791.82249689 Symmetrize density (0.00434s) started
T01 << 1462335791.82252598 Symmetrize density (0.00436s) stopped
T01 << 1462335791.82291102 Pseudo density (171.49276s) stopped
T01 >> 1462335791.82293010 Atomic density matrices (24.15113s) started
T01 << 1462335792.06812501 Atomic density matrices (24.39633s) stopped
T01 >> 1462335792.06815696 Multipole moments (0.35616s) started
T01 << 1462335792.07197404 Multipole moments (0.35997s) stopped
T01 >> 1462335792.07199502 Normalize (0.10592s) started
T01 << 1462335792.07302094 Normalize (0.10695s) stopped
T01 >> 1462335792.07306290 Mix (11.98606s) started
T01 << 1462335792.18886900 Mix (12.10187s) stopped
T01 << 1462335792.18891501 Density (208.46450s) stopped
T01 >> 1462335792.18899703 Hamiltonian (2361.48490s) started
T01 >> 1462335792.18901396 vbar (1.15202s) started
T01 << 1462335792.20166707 vbar (1.16467s) stopped
T01 >> 1462335792.20174599 XC 3D grid (1029.51927s) started
T01 >> 1462335792.38086390 van der Waals (993.36319s) started
T01 >> 1462335792.42302895 semilocal (226.94263s) started
T01 << 1462335794.67299891 semilocal (229.19260s) stopped
T01 >> 1462335794.70278597 redistribute (113.50852s) started
T01 << 1462335795.07082200 redistribute (113.87656s) stopped
T01 >> 1462335795.07087111 libvdwxc nonlocal (645.34553s) started
T01 << 1462335801.37775993 libvdwxc nonlocal (651.65242s) stopped
T01 >> 1462335801.37784195 redistribute (113.87659s) started
T01 << 1462335802.12735391 redistribute (114.62610s) stopped
T01 << 1462335802.12889695 van der Waals (1003.11122s) stopped
T01 << 1462335802.29909706 XC 3D grid (1039.61662s) stopped
T01 >> 1462335802.29913712 Poisson (237.94676s) started
T01 << 1462335804.03455400 Poisson (239.68218s) stopped
T01 >> 1462335804.03463292 Hartree integrate/restrict (8.17252s) started
T01 << 1462335804.04974008 Hartree integrate/restrict (8.18762s) stopped
T01 >> 1462335804.04980707 Hartree integrate/restrict (8.18767s) started
T01 << 1462335804.11299205 Hartree integrate/restrict (8.25085s) stopped
T01 >> 1462335804.13263106 Atomic (633.53537s) started
T01 >> 1462335804.14193797 XC Correction (632.27362s) started
T01 << 1462335810.37058806 XC Correction (638.50227s) stopped
T01 << 1462335810.37362909 Atomic (639.77637s) stopped
T01 >> 1462335810.37373900 Communicate (448.94655s) started
T01 << 1462335815.25838089 Communicate (453.83119s) stopped
T01 << 1462335815.25840592 Hamiltonian (2384.55431s) stopped
T01 >> 1462335815.25846910 LCAO eigensolver (858.44767s) started
T01 >> 1462335815.25848198 Potential matrix (27.01130s) started
T01 << 1462335815.51184607 Potential matrix (27.26467s) stopped
T01 >> 1462335815.51190805 DistributedAtomicCorrection (144.73296s) started
T01 << 1462335816.84253001 DistributedAtomicCorrection (146.06359s) stopped
T01 >> 1462335816.84259391 Distribute overlap matrix (118.76201s) started
T01 >> 1462335816.84261894 blocked summation (112.41427s) started
T01 << 1462335817.93513894 blocked summation (113.50679s) stopped
T01 >> 1462335817.93672490 Scalapack redistribute (6.16946s) started
T01 << 1462335817.99281406 Scalapack redistribute (6.22555s) stopped
T01 << 1462335817.99288011 Distribute overlap matrix (119.91229s) stopped
T01 >> 1462335817.99346089 Blacs Orbital Layouts (294.28739s) started
T01 >> 1462335817.99489689 General diagonalize (288.49183s) started
T01 << 1462335820.60832310 General diagonalize (291.10526s) stopped
T01 >> 1462335820.60837412 Redistribute coefs (0.30419s) started
T01 << 1462335820.61164999 Redistribute coefs (0.30746s) stopped
T01 >> 1462335820.61168790 Send coefs to domains (5.32133s) started
T01 << 1462335820.66008210 Send coefs to domains (5.36972s) stopped
T01 << 1462335820.66033792 Blacs Orbital Layouts (296.95427s) stopped
T01 >> 1462335820.66038394 Calculate projections (273.55877s) started
T01 << 1462335823.20340896 Calculate projections (276.10179s) stopped
T01 << 1462335823.20366597 LCAO eigensolver (866.39287s) stopped
T01 >> 1462335823.20450091 Density (208.46451s) started
T01 >> 1462335823.20451307 Pseudo density (171.49277s) started
T01 >> 1462335823.20495796 Calculate density matrix (153.87488s) started
T01 << 1462335824.68668389 Calculate density matrix (155.35661s) stopped
T01 >> 1462335824.68674898 Construct density (17.32903s) started
T01 << 1462335824.85490203 Construct density (17.49718s) stopped
T01 >> 1462335824.85702991 Symmetrize density (0.00438s) started
T01 << 1462335824.85705900 Symmetrize density (0.00441s) stopped
T01 << 1462335824.85742307 Pseudo density (173.14568s) stopped
T01 >> 1462335824.85744309 Atomic density matrices (24.39635s) started
T01 << 1462335825.10116506 Atomic density matrices (24.64007s) stopped
T01 >> 1462335825.10119796 Multipole moments (0.35999s) started
T01 << 1462335825.10501909 Multipole moments (0.36381s) stopped
T01 >> 1462335825.10504103 Normalize (0.10698s) started
T01 << 1462335825.10607004 Normalize (0.10801s) stopped
T01 >> 1462335825.10611200 Mix (12.10191s) started
T01 << 1462335825.22177601 Mix (12.21757s) stopped
T01 << 1462335825.22186804 Density (210.48188s) stopped
T01 >> 1462335825.22196388 Hamiltonian (2384.55432s) started
T01 >> 1462335825.22198606 vbar (1.16472s) started
T01 << 1462335825.23431802 vbar (1.17705s) stopped
T01 >> 1462335825.23441005 XC 3D grid (1039.61665s) started
T01 >> 1462335825.40351892 van der Waals (1003.11129s) started
T01 >> 1462335825.44653296 semilocal (229.19264s) started
T01 << 1462335827.68503308 semilocal (231.43114s) stopped
T01 >> 1462335827.71494389 redistribute (114.62619s) started
T01 << 1462335828.09981298 redistribute (115.01106s) stopped
T01 >> 1462335828.09986305 libvdwxc nonlocal (651.65247s) started
T01 << 1462335834.46730995 libvdwxc nonlocal (658.01992s) stopped
T01 >> 1462335834.46741390 redistribute (115.01109s) started
T01 << 1462335835.21716905 redistribute (115.76084s) stopped
T01 << 1462335835.21915507 van der Waals (1012.92692s) stopped
T01 << 1462335835.38960505 XC 3D grid (1049.77184s) stopped
T01 >> 1462335835.38964391 Poisson (239.68224s) started
T01 << 1462335837.13530302 Poisson (241.42790s) stopped
T01 >> 1462335837.13534999 Hartree integrate/restrict (8.25088s) started
T01 << 1462335837.15046096 Hartree integrate/restrict (8.26599s) stopped
T01 >> 1462335837.15054393 Hartree integrate/restrict (8.26604s) started
T01 << 1462335837.21381688 Hartree integrate/restrict (8.32931s) stopped
T01 >> 1462335837.23409796 Atomic (639.77638s) started
T01 >> 1462335837.24344397 XC Correction (638.50229s) started
T01 << 1462335843.47550702 XC Correction (644.73435s) stopped
T01 << 1462335843.47853088 Atomic (646.02082s) stopped
T01 >> 1462335843.47865009 Communicate (453.83121s) started
T01 << 1462335848.16292810 Communicate (458.51549s) stopped
T01 << 1462335848.16295290 Hamiltonian (2407.49531s) stopped
T01 >> 1462335848.16301894 LCAO eigensolver (866.39288s) started
T01 >> 1462335848.16303205 Potential matrix (27.26470s) started
T01 << 1462335848.41749907 Potential matrix (27.51917s) stopped
T01 >> 1462335848.41756296 DistributedAtomicCorrection (146.06361s) started
T01 << 1462335849.74953794 DistributedAtomicCorrection (147.39559s) stopped
T01 >> 1462335849.74960494 Distribute overlap matrix (119.91231s) started
T01 >> 1462335849.74962592 blocked summation (113.50682s) started
T01 << 1462335850.83923793 blocked summation (114.59643s) stopped
T01 >> 1462335850.84070706 Scalapack redistribute (6.22558s) started
T01 << 1462335850.89949107 Scalapack redistribute (6.28436s) stopped
T01 << 1462335850.89955807 Distribute overlap matrix (121.06226s) stopped
T01 >> 1462335850.90013695 Blacs Orbital Layouts (296.95428s) started
T01 >> 1462335850.90127110 General diagonalize (291.10529s) started
T01 << 1462335853.53053093 General diagonalize (293.73455s) stopped
T01 >> 1462335853.53058195 Redistribute coefs (0.30749s) started
T01 << 1462335853.53384900 Redistribute coefs (0.31076s) stopped
T01 >> 1462335853.53388596 Send coefs to domains (5.36976s) started
T01 << 1462335853.58247089 Send coefs to domains (5.41834s) stopped
T01 << 1462335853.58272600 Blacs Orbital Layouts (299.63687s) stopped
T01 >> 1462335853.58277106 Calculate projections (276.10184s) started
T01 << 1462335856.12565088 Calculate projections (278.64472s) stopped
T01 << 1462335856.12591290 LCAO eigensolver (874.35578s) stopped
T01 >> 1462335856.12658405 Density (210.48190s) started
T01 >> 1462335856.12659597 Pseudo density (173.14570s) started
T01 >> 1462335856.12704110 Calculate density matrix (155.35664s) started
T01 << 1462335857.61102509 Calculate density matrix (156.84063s) stopped
T01 >> 1462335857.61109090 Construct density (17.49721s) started
T01 << 1462335857.77929997 Construct density (17.66542s) stopped
T01 >> 1462335857.78082800 Symmetrize density (0.00442s) started
T01 << 1462335857.78085804 Symmetrize density (0.00445s) stopped
T01 << 1462335857.78122306 Pseudo density (174.80033s) stopped
T01 >> 1462335857.78124189 Atomic density matrices (24.64009s) started
T01 << 1462335858.02589893 Atomic density matrices (24.88475s) stopped
T01 >> 1462335858.02593207 Multipole moments (0.36382s) started
T01 << 1462335858.02973700 Multipole moments (0.36763s) stopped
T01 >> 1462335858.02975798 Normalize (0.10804s) started
T01 << 1462335858.03078699 Normalize (0.10907s) stopped
T01 >> 1462335858.03082609 Mix (12.21766s) started
T01 << 1462335858.14617205 Mix (12.33301s) stopped
T01 << 1462335858.14625096 Density (212.50157s) stopped
T01 >> 1462335858.14634299 Hamiltonian (2407.49533s) started
T01 >> 1462335858.14636111 vbar (1.17710s) started
T01 << 1462335858.15891600 vbar (1.18966s) stopped
T01 >> 1462335858.15900111 XC 3D grid (1049.77188s) started
T01 >> 1462335858.33732390 van der Waals (1012.92698s) started
T01 >> 1462335858.37945008 semilocal (231.43120s) started
T01 << 1462335860.61897397 semilocal (233.67072s) stopped
T01 >> 1462335860.64884806 redistribute (115.76090s) started
T01 << 1462335861.02541590 redistribute (116.13747s) stopped
T01 >> 1462335861.02546597 libvdwxc nonlocal (658.01998s) started
T01 << 1462335867.37448907 libvdwxc nonlocal (664.36900s) stopped
T01 >> 1462335867.37454391 redistribute (116.13750s) started
T01 << 1462335868.12785912 redistribute (116.89082s) stopped
T01 << 1462335868.12956309 van der Waals (1022.71922s) stopped
T01 << 1462335868.30566311 XC 3D grid (1059.91854s) stopped
T01 >> 1462335868.30570412 Poisson (241.42793s) started
T01 << 1462335870.04398608 Poisson (243.16622s) stopped
T01 >> 1462335870.04404211 Hartree integrate/restrict (8.32934s) started
T01 << 1462335870.05933595 Hartree integrate/restrict (8.34464s) stopped
T01 >> 1462335870.05938697 Hartree integrate/restrict (8.34467s) started
T01 << 1462335870.12358594 Hartree integrate/restrict (8.40887s) stopped
T01 >> 1462335870.14297795 Atomic (646.02083s) started
T01 >> 1462335870.15240788 XC Correction (644.73438s) started
T01 << 1462335876.43428397 XC Correction (651.01625s) stopped
T01 << 1462335876.43736005 Atomic (652.31522s) stopped
T01 >> 1462335876.43747497 Communicate (458.51550s) started
T01 << 1462335881.06398201 Communicate (463.14201s) stopped
T01 << 1462335881.06400490 Hamiltonian (2430.41299s) stopped
T01 >> 1462335881.06406689 LCAO eigensolver (874.35579s) started
T01 >> 1462335881.06408095 Potential matrix (27.51920s) started
T01 << 1462335881.32080197 Potential matrix (27.77592s) stopped
T01 >> 1462335881.32086706 DistributedAtomicCorrection (147.39562s) started
T01 << 1462335882.63843989 DistributedAtomicCorrection (148.71319s) stopped
T01 >> 1462335882.63850498 Distribute overlap matrix (121.06227s) started
T01 >> 1462335882.63852596 blocked summation (114.59647s) started
T01 << 1462335883.74202299 blocked summation (115.69997s) stopped
T01 >> 1462335883.74393296 Scalapack redistribute (6.28440s) started
T01 << 1462335883.80223489 Scalapack redistribute (6.34270s) stopped
T01 << 1462335883.80230999 Distribute overlap matrix (122.22607s) stopped
T01 >> 1462335883.80289602 Blacs Orbital Layouts (299.63689s) started
T01 >> 1462335883.80405092 General diagonalize (293.73458s) started
T01 << 1462335886.42727590 General diagonalize (296.35781s) stopped
T01 >> 1462335886.42732596 Redistribute coefs (0.31079s) started
T01 << 1462335886.43005490 Redistribute coefs (0.31352s) stopped
T01 >> 1462335886.43009210 Send coefs to domains (5.41838s) started
T01 << 1462335886.47997594 Send coefs to domains (5.46826s) stopped
T01 << 1462335886.48023295 Blacs Orbital Layouts (302.31423s) stopped
T01 >> 1462335886.48027706 Calculate projections (278.64477s) started
T01 << 1462335889.02344394 Calculate projections (281.18794s) stopped
T01 << 1462335889.02386594 LCAO eigensolver (882.31559s) stopped
T01 >> 1462335889.02452588 Density (212.50158s) started
T01 >> 1462335889.02453804 Pseudo density (174.80034s) started
T01 >> 1462335889.02496696 Calculate density matrix (156.84067s) started
T01 << 1462335890.50840807 Calculate density matrix (158.32411s) stopped
T01 >> 1462335890.50847507 Construct density (17.66545s) started
T01 << 1462335890.67645693 Construct density (17.83344s) stopped
T01 >> 1462335890.67863798 Symmetrize density (0.00446s) started
T01 << 1462335890.67866707 Symmetrize density (0.00448s) stopped
T01 << 1462335890.67903590 Pseudo density (176.45484s) stopped
T01 >> 1462335890.67905593 Atomic density matrices (24.88477s) started
T01 << 1462335890.92255402 Atomic density matrices (25.12827s) stopped
T01 >> 1462335890.92258692 Multipole moments (0.36764s) started
T01 << 1462335890.92640805 Multipole moments (0.37146s) stopped
T01 >> 1462335890.92642903 Normalize (0.10910s) started
T01 << 1462335890.92743707 Normalize (0.11011s) stopped
T01 >> 1462335890.92747688 Mix (12.33308s) started
T01 << 1462335891.04274297 Mix (12.44835s) stopped
T01 << 1462335891.04279494 Density (214.51985s) stopped
T01 >> 1462335891.04289699 Hamiltonian (2430.41300s) started
T01 >> 1462335891.04291606 vbar (1.18971s) started
T01 << 1462335891.05536795 vbar (1.20216s) stopped
T01 >> 1462335891.05544901 XC 3D grid (1059.91857s) started
T01 >> 1462335891.23318410 van der Waals (1022.71932s) started
T01 >> 1462335891.27588105 semilocal (233.67078s) started
T01 << 1462335893.51681900 semilocal (235.91171s) stopped
T01 >> 1462335893.54592109 redistribute (116.89093s) started
T01 << 1462335893.92431092 redistribute (117.26932s) stopped
T01 >> 1462335893.92436290 libvdwxc nonlocal (664.36903s) started
T01 << 1462335900.29950595 libvdwxc nonlocal (670.74418s) stopped
T01 >> 1462335900.29958200 redistribute (117.26935s) started
T01 << 1462335901.04076600 redistribute (118.01053s) stopped
T01 << 1462335901.04210901 van der Waals (1032.52824s) stopped
T01 << 1462335901.22537994 XC 3D grid (1070.08850s) stopped
T01 >> 1462335901.22542310 Poisson (243.16626s) started
T01 << 1462335902.96664691 Poisson (244.90748s) stopped
T01 >> 1462335902.96670699 Hartree integrate/restrict (8.40892s) started
T01 << 1462335902.98210812 Hartree integrate/restrict (8.42432s) stopped
T01 >> 1462335902.98214889 Hartree integrate/restrict (8.42435s) started
T01 << 1462335903.04463911 Hartree integrate/restrict (8.48684s) stopped
T01 >> 1462335903.06657290 Atomic (652.31523s) started
T01 >> 1462335903.07598495 XC Correction (651.01628s) started
T01 << 1462335909.27536392 XC Correction (657.21566s) stopped
T01 << 1462335909.27838898 Atomic (658.52705s) stopped
T01 >> 1462335909.27850199 Communicate (463.14203s) started
T01 << 1462335914.00448394 Communicate (467.86801s) stopped
T01 << 1462335914.00450802 Hamiltonian (2453.37461s) stopped
T01 >> 1462335914.00456810 LCAO eigensolver (882.31561s) started
T01 >> 1462335914.00458097 Potential matrix (27.77596s) started
T01 << 1462335914.25964189 Potential matrix (28.03102s) stopped
T01 >> 1462335914.25970602 DistributedAtomicCorrection (148.71322s) started
T01 << 1462335915.59873009 DistributedAtomicCorrection (150.05225s) stopped
T01 >> 1462335915.59879398 Distribute overlap matrix (122.22609s) started
T01 >> 1462335915.59881496 blocked summation (115.70000s) started
T01 << 1462335916.68994808 blocked summation (116.79113s) stopped
T01 >> 1462335916.69149590 Scalapack redistribute (6.34273s) started
T01 << 1462335916.74943304 Scalapack redistribute (6.40067s) stopped
T01 << 1462335916.74949908 Distribute overlap matrix (123.37679s) stopped
T01 >> 1462335916.75008607 Blacs Orbital Layouts (302.31424s) started
T01 >> 1462335916.75165391 General diagonalize (296.35784s) started
T01 << 1462335919.39292097 General diagonalize (298.99910s) stopped
T01 >> 1462335919.39297390 Redistribute coefs (0.31355s) started
T01 << 1462335919.39530492 Redistribute coefs (0.31588s) stopped
T01 >> 1462335919.39537311 Send coefs to domains (5.46829s) started
T01 << 1462335919.44450688 Send coefs to domains (5.51743s) stopped
T01 << 1462335919.44494295 Blacs Orbital Layouts (305.00910s) stopped
T01 >> 1462335919.44498706 Calculate projections (281.18798s) started
T01 << 1462335921.98807192 Calculate projections (283.73107s) stopped
T01 << 1462335921.98832607 LCAO eigensolver (890.29937s) stopped
T01 >> 1462335921.98896790 Density (214.51987s) started
T01 >> 1462335921.98898005 Pseudo density (176.45485s) started
T01 >> 1462335921.98939204 Calculate density matrix (158.32414s) started
T01 << 1462335923.47100902 Calculate density matrix (159.80576s) stopped
T01 >> 1462335923.47107601 Construct density (17.83347s) started
T01 << 1462335923.63924193 Construct density (18.00164s) stopped
T01 >> 1462335923.64037204 Symmetrize density (0.00450s) started
T01 << 1462335923.64040089 Symmetrize density (0.00452s) stopped
T01 << 1462335923.64077210 Pseudo density (178.10665s) stopped
T01 >> 1462335923.64079094 Atomic density matrices (25.12829s) started
T01 << 1462335923.88592005 Atomic density matrices (25.37342s) stopped
T01 >> 1462335923.88595390 Multipole moments (0.37148s) started
T01 << 1462335923.88979006 Multipole moments (0.37531s) stopped
T01 >> 1462335923.88981199 Normalize (0.11014s) started
T01 << 1462335923.89083004 Normalize (0.11116s) stopped
T01 >> 1462335923.89086509 Mix (12.44840s) started
T01 << 1462335924.00658607 Mix (12.56412s) stopped
T01 << 1462335924.00666690 Density (216.53756s) stopped
T01 >> 1462335924.00675607 Hamiltonian (2453.37462s) started
T01 >> 1462335924.00677705 vbar (1.20221s) started
T01 << 1462335924.01916504 vbar (1.21460s) stopped
T01 >> 1462335924.01925302 XC 3D grid (1070.08853s) started
T01 >> 1462335924.19937801 van der Waals (1032.52829s) started
T01 >> 1462335924.24147606 semilocal (235.91175s) started
T01 << 1462335926.47602105 semilocal (238.14630s) stopped
T01 >> 1462335926.50581789 redistribute (118.01057s) started
T01 << 1462335926.88398099 redistribute (118.38873s) stopped
T01 >> 1462335926.88403010 libvdwxc nonlocal (670.74422s) started
T01 << 1462335933.19675398 libvdwxc nonlocal (677.05695s) stopped
T01 >> 1462335933.19684100 redistribute (118.38877s) started
T01 << 1462335933.93400192 redistribute (119.12593s) stopped
T01 << 1462335933.93542910 van der Waals (1042.26434s) stopped
T01 << 1462335934.11546993 XC 3D grid (1080.18475s) stopped
T01 >> 1462335934.11551189 Poisson (244.90753s) started
T01 << 1462335935.84853506 Poisson (246.64055s) stopped
T01 >> 1462335935.84861588 Hartree integrate/restrict (8.48688s) started
T01 << 1462335935.86373401 Hartree integrate/restrict (8.50199s) stopped
T01 >> 1462335935.86378908 Hartree integrate/restrict (8.50203s) started
T01 << 1462335935.92571902 Hartree integrate/restrict (8.56396s) stopped
T01 >> 1462335935.94693494 Atomic (658.52707s) started
T01 >> 1462335935.95617795 XC Correction (657.21568s) started
T01 << 1462335942.15585995 XC Correction (663.41536s) stopped
T01 << 1462335942.15888000 Atomic (664.73901s) stopped
T01 >> 1462335942.15899110 Communicate (467.86802s) started
T01 << 1462335946.87181997 Communicate (472.58085s) stopped
T01 << 1462335946.87184501 Hamiltonian (2476.23971s) stopped
T01 >> 1462335946.87190390 LCAO eigensolver (890.29938s) started
T01 >> 1462335946.87191701 Potential matrix (28.03106s) started
T01 << 1462335947.12531996 Potential matrix (28.28446s) stopped
T01 >> 1462335947.12538409 DistributedAtomicCorrection (150.05228s) started
T01 << 1462335948.46803403 DistributedAtomicCorrection (151.39493s) stopped
T01 >> 1462335948.46809793 Distribute overlap matrix (123.37680s) started
T01 >> 1462335948.46811795 blocked summation (116.79116s) started
T01 << 1462335949.55046201 blocked summation (117.87351s) stopped
T01 >> 1462335949.55194807 Scalapack redistribute (6.40070s) started
T01 << 1462335949.60985899 Scalapack redistribute (6.45861s) stopped
T01 << 1462335949.60992599 Distribute overlap matrix (124.51863s) stopped
T01 >> 1462335949.61050391 Blacs Orbital Layouts (305.00912s) started
T01 >> 1462335949.61164093 General diagonalize (298.99914s) started
T01 << 1462335952.24414301 General diagonalize (301.63164s) stopped
T01 >> 1462335952.24419403 Redistribute coefs (0.31591s) started
T01 << 1462335952.24643803 Redistribute coefs (0.31815s) stopped
T01 >> 1462335952.24650192 Send coefs to domains (5.51746s) started
T01 << 1462335952.29498005 Send coefs to domains (5.56594s) stopped
T01 << 1462335952.29523206 Blacs Orbital Layouts (307.69385s) stopped
T01 >> 1462335952.29527807 Calculate projections (283.73112s) started
T01 << 1462335954.83818507 Calculate projections (286.27402s) stopped
T01 << 1462335954.83843589 LCAO eigensolver (898.26592s) stopped
T01 >> 1462335954.83927608 Density (216.53758s) started
T01 >> 1462335954.83928800 Pseudo density (178.10666s) started
T01 >> 1462335954.83971691 Calculate density matrix (159.80579s) started
T01 << 1462335956.31769300 Calculate density matrix (161.28377s) stopped
T01 >> 1462335956.31775999 Construct density (18.00167s) started
T01 << 1462335956.48583007 Construct density (18.16974s) stopped
T01 >> 1462335956.48712397 Symmetrize density (0.00453s) started
T01 << 1462335956.48715401 Symmetrize density (0.00457s) stopped
T01 << 1462335956.48751998 Pseudo density (179.75489s) stopped
T01 >> 1462335956.48754001 Atomic density matrices (25.37344s) started
T01 << 1462335956.73252511 Atomic density matrices (25.61843s) stopped
T01 >> 1462335956.73255801 Multipole moments (0.37533s) started
T01 << 1462335956.73638511 Multipole moments (0.37916s) stopped
T01 >> 1462335956.73640704 Normalize (0.11118s) started
T01 << 1462335956.73743892 Normalize (0.11222s) stopped
T01 >> 1462335956.73747110 Mix (12.56420s) started
T01 << 1462335956.85238695 Mix (12.67911s) stopped
T01 << 1462335956.85246801 Density (218.55077s) stopped
T01 >> 1462335956.85255694 Hamiltonian (2476.23972s) started
T01 >> 1462335956.85257602 vbar (1.21465s) started
T01 << 1462335956.86505890 vbar (1.22713s) stopped
T01 >> 1462335956.86514306 XC 3D grid (1080.18478s) started
T01 >> 1462335957.03350902 van der Waals (1042.26438s) started
T01 >> 1462335957.07688904 semilocal (238.14639s) started
T01 << 1462335959.30541492 semilocal (240.37491s) stopped
T01 >> 1462335959.33774996 redistribute (119.12597s) started
T01 << 1462335959.72550797 redistribute (119.51373s) stopped
T01 >> 1462335959.72555709 libvdwxc nonlocal (677.05700s) started
T01 << 1462335966.02921295 libvdwxc nonlocal (683.36066s) stopped
T01 >> 1462335966.02929211 redistribute (119.51376s) started
T01 << 1462335966.76866293 redistribute (120.25313s) stopped
T01 << 1462335966.77041602 van der Waals (1052.00129s) stopped
T01 << 1462335966.95047808 XC 3D grid (1090.27012s) stopped
T01 >> 1462335966.95051789 Poisson (246.64060s) started
T01 << 1462335968.70064092 Poisson (248.39072s) stopped
T01 >> 1462335968.70068693 Hartree integrate/restrict (8.56399s) started
T01 << 1462335968.71607709 Hartree integrate/restrict (8.57938s) stopped
T01 >> 1462335968.71611810 Hartree integrate/restrict (8.57941s) started
T01 << 1462335968.77946591 Hartree integrate/restrict (8.64275s) stopped
T01 >> 1462335968.80257702 Atomic (664.73903s) started
T01 >> 1462335968.81180096 XC Correction (663.41538s) started
T01 << 1462335975.03436995 XC Correction (669.63795s) stopped
T01 << 1462335975.03738594 Atomic (670.97384s) stopped
T01 >> 1462335975.03749800 Communicate (472.58087s) started
T01 << 1462335979.88135195 Communicate (477.42472s) stopped
T01 << 1462335979.88138700 Hamiltonian (2499.26855s) stopped
T01 >> 1462335979.88148808 LCAO eigensolver (898.26593s) started
T01 >> 1462335979.88150311 Potential matrix (28.28450s) started
T01 << 1462335980.13619590 Potential matrix (28.53919s) stopped
T01 >> 1462335980.13625789 DistributedAtomicCorrection (151.39495s) started
T01 << 1462335981.46310902 DistributedAtomicCorrection (152.72181s) stopped
T01 >> 1462335981.46317291 Distribute overlap matrix (124.51864s) started
T01 >> 1462335981.46319294 blocked summation (117.87354s) started
T01 << 1462335982.57495403 blocked summation (118.98530s) stopped
T01 >> 1462335982.57694197 Scalapack redistribute (6.45864s) started
T01 << 1462335982.63347912 Scalapack redistribute (6.51518s) stopped
T01 << 1462335982.63354707 Distribute overlap matrix (125.68901s) stopped
T01 >> 1462335982.63413191 Blacs Orbital Layouts (307.69386s) started
T01 >> 1462335982.63529897 General diagonalize (301.63167s) started
T01 << 1462335985.25973392 General diagonalize (304.25610s) stopped
T01 >> 1462335985.25978303 Redistribute coefs (0.31818s) started
T01 << 1462335985.26220798 Redistribute coefs (0.32061s) stopped
T01 >> 1462335985.26227403 Send coefs to domains (5.56598s) started
T01 << 1462335985.30971599 Send coefs to domains (5.61342s) stopped
T01 << 1462335985.30996609 Blacs Orbital Layouts (310.36970s) stopped
T01 >> 1462335985.31000805 Calculate projections (286.27407s) started
T01 << 1462335987.85308504 Calculate projections (288.81715s) stopped
T01 << 1462335987.85349989 LCAO eigensolver (906.23795s) stopped
T01 << 1462335987.85419703 SCF-cycle (3624.14652s) stopped
T01 >> 1462335988.68476510 Force calculation (85.85743s) started
T01 >> 1462335988.68481493 LCAO forces (55.08598s) started
T01 >> 1462335988.68514895 Initial (0.00007s) started
T01 << 1462335988.68515897 Initial (0.00008s) stopped
T01 >> 1462335988.68958998 Get density matrix (10.47064s) started
T01 << 1462335989.24203610 Get density matrix (11.02309s) stopped
T01 >> 1462335989.24208689 Potential (4.02110s) started
T01 << 1462335990.58090401 Potential (5.35992s) stopped
T01 >> 1462335990.58096194 Get density matrix (11.02312s) started
T01 << 1462335993.52725911 Get density matrix (13.96941s) stopped
T01 >> 1462335993.52735400 Prepare TCI loop (5.63167s) started
T01 >> 1462335993.52777290 Get neighbors (4.69963s) started
T01 << 1462335995.18287992 Get neighbors (6.35474s) stopped
T01 >> 1462335995.18338990 broadcast dH (0.93025s) started
T01 << 1462335995.45421100 broadcast dH (1.20107s) stopped
T01 << 1462335995.45425391 Prepare TCI loop (7.55857s) stopped
T01 >> 1462335995.45427108 Not so complicated loop (7.63107s) started
T01 << 1462335998.00678205 Not so complicated loop (10.18358s) stopped
T01 >> 1462335998.10745811 Complicated loop (26.94813s) started
T01 << 1462336007.12567592 Complicated loop (35.96635s) stopped
T01 >> 1462336007.13873196 Wait for sum (0.00014s) started
T01 << 1462336007.13877392 Wait for sum (0.00019s) stopped
T01 << 1462336007.13878608 LCAO forces (73.53995s) stopped
T01 << 1462336017.67365503 Force calculation (114.84632s) stopped
T01 >> 1462336017.69078207 Initialization (197.17245s) started
T01 << 1462336017.69094300 Initialization (197.17261s) stopped
T01 >> 1462336017.69115901 Initialization (197.17263s) started
T01 << 1462336017.69128394 Initialization (197.17275s) stopped
T01 >> 1462336017.69141197 Initialization (197.17277s) started
T01 << 1462336017.69153595 Initialization (197.17289s) stopped
T01 >> 1462336038.12621689 Initialization (197.17291s) started
T01 >> 1462336038.12794805 Basic WFS set positions (0.35123s) started
T01 >> 1462336038.12796998 Redistribute (0.00721s) started
T01 << 1462336038.12809300 Redistribute (0.00734s) stopped
T01 << 1462336038.22190595 Basic WFS set positions (0.44519s) stopped
T01 >> 1462336038.22193789 Basis functions set positions (1.75841s) started
T01 << 1462336038.63220310 Basis functions set positions (2.16868s) stopped
T01 >> 1462336038.63333297 TCI: Calculate S, T, P (57.81946s) started
T01 << 1462336053.36342692 TCI: Calculate S, T, P (72.54955s) stopped
T01 >> 1462336053.36350894 blocked summation (14.85613s) started
T01 << 1462336057.40744209 blocked summation (18.90006s) stopped
T01 >> 1462336057.40834308 Scalapack redistribute (0.56310s) started
T01 << 1462336057.46699691 Scalapack redistribute (0.62175s) stopped
T01 >> 1462336057.46737409 blocked summation (18.90011s) started
T01 << 1462336057.63570094 blocked summation (19.06844s) stopped
T01 >> 1462336057.63640499 Scalapack redistribute (0.62180s) started
T01 << 1462336057.68532395 Scalapack redistribute (0.67072s) stopped
T01 >> 1462336057.68636298 Redistribute (0.00576s) started
T01 << 1462336057.68733001 Redistribute (0.00673s) stopped
T01 >> 1462336058.60843706 Redistribute (0.00675s) started
T01 << 1462336058.60934901 Redistribute (0.00766s) stopped
T01 >> 1462336058.61775804 LCAO WFS Initialize (116.07917s) started
T01 >> 1462336058.61778402 Density initialize from wavefunctions (3.59458s) started
T01 >> 1462336058.61810303 Calculate density matrix (2.10479s) started
T01 << 1462336059.29558897 Calculate density matrix (2.78227s) stopped
T01 >> 1462336059.29564905 Construct density (0.50446s) started
T01 << 1462336059.46307492 Construct density (0.67189s) stopped
T01 >> 1462336059.46439910 Symmetrize density (0.00012s) started
T01 << 1462336059.46442890 Symmetrize density (0.00015s) stopped
T01 << 1462336059.79178596 Density initialize from wavefunctions (4.76858s) stopped
T01 >> 1462336059.79246306 Hamiltonian (112.28813s) started
T01 >> 1462336059.79250407 vbar (0.04922s) started
T01 << 1462336059.80474710 vbar (0.06147s) stopped
T01 >> 1462336059.80483699 XC 3D grid (40.16418s) started
T01 >> 1462336059.98344803 van der Waals (38.75536s) started
T01 >> 1462336060.02511311 semilocal (8.91466s) started
T01 << 1462336062.25792289 semilocal (11.14747s) stopped
T01 >> 1462336062.28772712 redistribute (4.37894s) started
T01 << 1462336062.67103910 redistribute (4.76226s) stopped
T01 >> 1462336062.67107892 libvdwxc nonlocal (25.16756s) started
T01 << 1462336069.00213194 libvdwxc nonlocal (31.49861s) stopped
T01 >> 1462336069.00218606 redistribute (4.76229s) started
T01 << 1462336069.73411989 redistribute (5.49422s) stopped
T01 << 1462336069.73543191 van der Waals (48.50734s) stopped
T01 << 1462336069.91529894 XC 3D grid (50.27465s) stopped
T01 >> 1462336069.91533804 Poisson (21.10621s) started
T01 << 1462336074.47999096 Poisson (25.67087s) stopped
T01 >> 1462336074.48004889 Hartree integrate/restrict (0.31600s) started
T01 << 1462336074.49537301 Hartree integrate/restrict (0.33133s) stopped
T01 >> 1462336074.49543309 Hartree integrate/restrict (0.33137s) started
T01 << 1462336074.55888510 Hartree integrate/restrict (0.39482s) stopped
T01 >> 1462336074.58174801 Atomic (26.61904s) started
T01 >> 1462336074.59153700 XC Correction (26.56969s) started
T01 << 1462336081.30731201 XC Correction (33.28547s) stopped
T01 << 1462336081.31034994 Atomic (33.34764s) stopped
T01 >> 1462336081.31053090 Communicate (23.92697s) started
T01 << 1462336087.92636991 Communicate (30.54281s) stopped
T01 << 1462336087.92639399 Hamiltonian (140.42206s) stopped
T01 << 1462336087.92643499 LCAO WFS Initialize (145.38785s) stopped
T01 << 1462336087.93842196 Initialization (246.98511s) stopped
T01 >> 1462336087.96205401 SCF-cycle (3624.14653s) started
T01 >> 1462336087.96208692 LCAO eigensolver (906.23796s) started
T01 >> 1462336087.96210003 Potential matrix (28.53922s) started
T01 << 1462336088.21463108 Potential matrix (28.79175s) stopped
T01 >> 1462336088.21469903 DistributedAtomicCorrection (152.72184s) started
T01 << 1462336089.53315306 DistributedAtomicCorrection (154.04029s) stopped
T01 >> 1462336089.53322196 Distribute overlap matrix (125.68903s) started
T01 >> 1462336089.53324199 blocked summation (118.98533s) started
T01 << 1462336090.65051293 blocked summation (120.10260s) stopped
T01 >> 1462336090.65132594 Scalapack redistribute (6.51521s) started
T01 << 1462336090.70410490 Scalapack redistribute (6.56799s) stopped
T01 << 1462336090.70417500 Distribute overlap matrix (126.85998s) stopped
T01 >> 1462336090.70475793 Blacs Orbital Layouts (310.36971s) started
T01 >> 1462336090.70532608 General diagonalize (304.25613s) started
T01 << 1462336093.34791207 General diagonalize (306.89872s) stopped
T01 >> 1462336093.34795189 Redistribute coefs (0.32063s) started
T01 << 1462336093.35016394 Redistribute coefs (0.32285s) stopped
T01 >> 1462336093.35020304 Send coefs to domains (5.61345s) started
T01 << 1462336093.40016890 Send coefs to domains (5.66342s) stopped
T01 << 1462336093.40021396 Blacs Orbital Layouts (313.06517s) stopped
T01 >> 1462336093.40023398 Calculate projections (288.81720s) started
T01 << 1462336095.94305205 Calculate projections (291.36001s) stopped
T01 << 1462336095.94311595 LCAO eigensolver (914.21899s) stopped
T01 >> 1462336095.94371796 Density (218.55079s) started
T01 >> 1462336095.94373012 Pseudo density (179.75491s) started
T01 >> 1462336095.94411612 Calculate density matrix (161.28381s) started
T01 << 1462336097.43742609 Calculate density matrix (162.77712s) stopped
T01 >> 1462336097.43747711 Construct density (18.16977s) started
T01 << 1462336097.60497689 Construct density (18.33727s) stopped
T01 >> 1462336097.60610390 Symmetrize density (0.00458s) started
T01 << 1462336097.60613394 Symmetrize density (0.00461s) stopped
T01 << 1462336097.60649490 Pseudo density (181.41767s) stopped
T01 >> 1462336097.60651398 Atomic density matrices (25.61845s) started
T01 << 1462336097.84026504 Atomic density matrices (25.85220s) stopped
T01 >> 1462336097.84029698 Multipole moments (0.37917s) started
T01 << 1462336097.84416008 Multipole moments (0.38303s) stopped
T01 >> 1462336097.84418201 Normalize (0.11224s) started
T01 << 1462336097.84518003 Normalize (0.11324s) stopped
T01 >> 1462336097.84521508 Mix (12.67919s) started
T01 << 1462336097.94678497 Mix (12.78076s) stopped
T01 << 1462336097.94687295 Density (220.55394s) stopped
T01 >> 1462336097.94698906 Hamiltonian (2499.26857s) started
T01 >> 1462336097.94700909 vbar (1.22718s) started
T01 << 1462336097.95948601 vbar (1.23966s) stopped
T01 >> 1462336097.95956802 XC 3D grid (1090.27015s) started
T01 >> 1462336098.12845206 van der Waals (1052.00138s) started
T01 >> 1462336098.17192006 semilocal (240.37498s) started
T01 << 1462336100.41421294 semilocal (242.61727s) stopped
T01 >> 1462336100.44381404 redistribute (120.25318s) started
T01 << 1462336100.81348491 redistribute (120.62285s) stopped
T01 >> 1462336100.81353807 libvdwxc nonlocal (683.36070s) started
T01 << 1462336107.14625692 libvdwxc nonlocal (689.69342s) stopped
T01 >> 1462336107.14630795 redistribute (120.62288s) started
T01 << 1462336107.89143991 redistribute (121.36801s) stopped
T01 << 1462336107.89257097 van der Waals (1061.76550s) stopped
T01 << 1462336108.07015300 XC 3D grid (1100.38073s) stopped
T01 >> 1462336108.07020593 Poisson (248.39076s) started
T01 << 1462336110.92872095 Poisson (251.24927s) stopped
T01 >> 1462336110.92879796 Hartree integrate/restrict (8.64278s) started
T01 << 1462336110.94396091 Hartree integrate/restrict (8.65795s) stopped
T01 >> 1462336110.94403195 Hartree integrate/restrict (8.65799s) started
T01 << 1462336111.00742793 Hartree integrate/restrict (8.72139s) stopped
T01 >> 1462336111.03130889 Atomic (670.97385s) started
T01 >> 1462336111.04093909 XC Correction (669.63797s) started
T01 << 1462336117.80585003 XC Correction (676.40288s) stopped
T01 << 1462336117.80885506 Atomic (677.75140s) stopped
T01 >> 1462336117.80896997 Communicate (477.42475s) started
T01 << 1462336123.77853203 Communicate (483.39431s) stopped
T01 << 1462336123.77855611 Hamiltonian (2525.10013s) stopped
T01 >> 1462336123.77862000 LCAO eigensolver (914.21900s) started
T01 >> 1462336123.77863407 Potential matrix (28.79179s) started
T01 << 1462336124.03310800 Potential matrix (29.04627s) stopped
T01 >> 1462336124.03317404 DistributedAtomicCorrection (154.04032s) started
T01 << 1462336125.36227989 DistributedAtomicCorrection (155.36943s) stopped
T01 >> 1462336125.36234689 Distribute overlap matrix (126.85999s) started
T01 >> 1462336125.36236811 blocked summation (120.10264s) started
T01 << 1462336126.46115494 blocked summation (121.20143s) stopped
T01 >> 1462336126.46196008 Scalapack redistribute (6.56802s) started
T01 << 1462336126.51298904 Scalapack redistribute (6.61905s) stopped
T01 << 1462336126.51305699 Distribute overlap matrix (128.01070s) stopped
T01 >> 1462336126.51364207 Blacs Orbital Layouts (313.06518s) started
T01 >> 1462336126.51420498 General diagonalize (306.89875s) started
T01 << 1462336129.15681291 General diagonalize (309.54136s) stopped
T01 >> 1462336129.15686488 Redistribute coefs (0.32288s) started
T01 << 1462336129.15910101 Redistribute coefs (0.32511s) stopped
T01 >> 1462336129.15916800 Send coefs to domains (5.66345s) started
T01 << 1462336129.20889306 Send coefs to domains (5.71318s) stopped
T01 << 1462336129.20893788 Blacs Orbital Layouts (315.76048s) stopped
T01 >> 1462336129.20897794 Calculate projections (291.36006s) started
T01 << 1462336131.75162101 Calculate projections (293.90270s) stopped
T01 << 1462336131.75168300 LCAO eigensolver (922.19207s) stopped
T01 >> 1462336131.75226688 Density (220.55396s) started
T01 >> 1462336131.75227904 Pseudo density (181.41769s) started
T01 >> 1462336131.75264502 Calculate density matrix (162.77715s) started
T01 << 1462336133.24583793 Calculate density matrix (164.27034s) stopped
T01 >> 1462336133.24589109 Construct density (18.33731s) started
T01 << 1462336133.41378188 Construct density (18.50520s) stopped
T01 >> 1462336133.41492009 Symmetrize density (0.00462s) started
T01 << 1462336133.41494894 Symmetrize density (0.00465s) stopped
T01 << 1462336133.41529989 Pseudo density (183.08071s) stopped
T01 >> 1462336133.41531897 Atomic density matrices (25.85223s) started
T01 << 1462336133.64885306 Atomic density matrices (26.08576s) stopped
T01 >> 1462336133.64888501 Multipole moments (0.38305s) started
T01 << 1462336133.65275192 Multipole moments (0.38692s) stopped
T01 >> 1462336133.65277410 Normalize (0.11326s) started
T01 << 1462336133.65375900 Normalize (0.11425s) stopped
T01 >> 1462336133.65379405 Mix (12.78084s) started
T01 << 1462336133.75834894 Mix (12.88540s) stopped
T01 << 1462336133.75839996 Density (222.56009s) stopped
T01 >> 1462336133.75849700 Hamiltonian (2525.10015s) started
T01 >> 1462336133.75851703 vbar (1.23971s) started
T01 << 1462336133.77080297 vbar (1.25200s) stopped
T01 >> 1462336133.77089310 XC 3D grid (1100.38078s) started
T01 >> 1462336133.94245696 van der Waals (1061.76556s) started
T01 >> 1462336133.98624897 semilocal (242.61735s) started
T01 << 1462336136.22137904 semilocal (244.85248s) stopped
T01 >> 1462336136.25032496 redistribute (121.36805s) started
T01 << 1462336136.62922096 redistribute (121.74694s) stopped
T01 >> 1462336136.62928605 libvdwxc nonlocal (689.69346s) started
T01 << 1462336142.95375204 libvdwxc nonlocal (696.01793s) stopped
T01 >> 1462336142.95383406 redistribute (121.74699s) started
T01 << 1462336143.67239594 redistribute (122.46555s) stopped
T01 << 1462336143.67367911 van der Waals (1071.49678s) stopped
T01 << 1462336143.85268211 XC 3D grid (1110.46256s) stopped
T01 >> 1462336143.85272408 Poisson (251.24933s) started
T01 << 1462336146.13941789 Poisson (253.53603s) stopped
T01 >> 1462336146.13947010 Hartree integrate/restrict (8.72142s) started
T01 << 1462336146.15479207 Hartree integrate/restrict (8.73674s) stopped
T01 >> 1462336146.15484595 Hartree integrate/restrict (8.73678s) started
T01 << 1462336146.21778893 Hartree integrate/restrict (8.79972s) stopped
T01 >> 1462336146.23964596 Atomic (677.75142s) started
T01 >> 1462336146.24914694 XC Correction (676.40290s) started
T01 << 1462336152.68886089 XC Correction (682.84262s) stopped
T01 << 1462336152.69186401 Atomic (684.20363s) stopped
T01 >> 1462336152.69197702 Communicate (483.39433s) started
T01 << 1462336158.16720605 Communicate (488.86955s) stopped
T01 << 1462336158.16722989 Hamiltonian (2549.50888s) stopped
T01 >> 1462336158.16729093 LCAO eigensolver (922.19208s) started
T01 >> 1462336158.16730404 Potential matrix (29.04630s) started
T01 << 1462336158.42144990 Potential matrix (29.30045s) stopped
T01 >> 1462336158.42151499 DistributedAtomicCorrection (155.36946s) started
T01 << 1462336159.73968697 DistributedAtomicCorrection (156.68763s) stopped
T01 >> 1462336159.73975396 Distribute overlap matrix (128.01071s) started
T01 >> 1462336159.73977399 blocked summation (121.20146s) started
T01 << 1462336160.85965395 blocked summation (122.32134s) stopped
T01 >> 1462336160.86046195 Scalapack redistribute (6.61908s) started
T01 << 1462336160.91550899 Scalapack redistribute (6.67413s) stopped
T01 << 1462336160.91557908 Distribute overlap matrix (129.18654s) stopped
T01 >> 1462336160.91615796 Blacs Orbital Layouts (315.76049s) started
T01 >> 1462336160.91673112 General diagonalize (309.54139s) started
T01 << 1462336163.55482197 General diagonalize (312.17948s) stopped
T01 >> 1462336163.55487394 Redistribute coefs (0.32514s) started
T01 << 1462336163.55736494 Redistribute coefs (0.32763s) stopped
T01 >> 1462336163.55742908 Send coefs to domains (5.71321s) started
T01 << 1462336163.60550499 Send coefs to domains (5.76129s) stopped
T01 << 1462336163.60555410 Blacs Orbital Layouts (318.44989s) stopped
T01 >> 1462336163.60559201 Calculate projections (293.90275s) started
T01 << 1462336166.14887810 Calculate projections (296.44603s) stopped
T01 << 1462336166.14894199 LCAO eigensolver (930.17373s) stopped
T01 >> 1462336166.14961410 Density (222.56011s) started
T01 >> 1462336166.14962697 Pseudo density (183.08072s) started
T01 >> 1462336166.15001798 Calculate density matrix (164.27038s) started
T01 << 1462336167.64370489 Calculate density matrix (165.76407s) stopped
T01 >> 1462336167.64377403 Construct density (18.50523s) started
T01 << 1462336167.81152391 Construct density (18.67298s) stopped
T01 >> 1462336167.81264997 Symmetrize density (0.00466s) started
T01 << 1462336167.81268001 Symmetrize density (0.00469s) stopped
T01 << 1462336167.81303406 Pseudo density (184.74413s) stopped
T01 >> 1462336167.81305289 Atomic density matrices (26.08578s) started
T01 << 1462336168.04715896 Atomic density matrices (26.31989s) stopped
T01 >> 1462336168.04719305 Multipole moments (0.38693s) started
T01 << 1462336168.05102897 Multipole moments (0.39077s) stopped
T01 >> 1462336168.05105090 Normalize (0.11427s) started
T01 << 1462336168.05202889 Normalize (0.11525s) stopped
T01 >> 1462336168.05206490 Mix (12.88545s) started
T01 << 1462336168.15922093 Mix (12.99260s) stopped
T01 << 1462336168.15930605 Density (224.56980s) stopped
T01 >> 1462336168.15941095 Hamiltonian (2549.50889s) started
T01 >> 1462336168.15943003 vbar (1.25205s) started
T01 << 1462336168.17200208 vbar (1.26462s) stopped
T01 >> 1462336168.17209291 XC 3D grid (1110.46260s) started
T01 >> 1462336168.34511495 van der Waals (1071.49683s) started
T01 >> 1462336168.38827896 semilocal (244.85256s) started
T01 << 1462336170.62774491 semilocal (247.09202s) stopped
T01 >> 1462336170.65684700 redistribute (122.46558s) started
T01 << 1462336171.02637291 redistribute (122.83511s) stopped
T01 >> 1462336171.02642488 libvdwxc nonlocal (696.01798s) started
T01 << 1462336177.33825803 libvdwxc nonlocal (702.32981s) stopped
T01 >> 1462336177.33834004 redistribute (122.83514s) started
T01 << 1462336178.07036209 redistribute (123.56716s) stopped
T01 << 1462336178.07173109 van der Waals (1081.22344s) stopped
T01 << 1462336178.25180411 XC 3D grid (1120.54231s) stopped
T01 >> 1462336178.25184393 Poisson (253.53606s) started
T01 << 1462336180.54051089 Poisson (255.82473s) stopped
T01 >> 1462336180.54055905 Hartree integrate/restrict (8.79975s) started
T01 << 1462336180.55609798 Hartree integrate/restrict (8.81529s) stopped
T01 >> 1462336180.55614209 Hartree integrate/restrict (8.81531s) started
T01 << 1462336180.61950994 Hartree integrate/restrict (8.87868s) stopped
T01 >> 1462336180.64139700 Atomic (684.20365s) started
T01 >> 1462336180.65086198 XC Correction (682.84264s) started
T01 << 1462336186.76929808 XC Correction (688.96107s) stopped
T01 << 1462336186.77238011 Atomic (690.33463s) stopped
T01 >> 1462336186.77249599 Communicate (488.86957s) started
T01 << 1462336191.98971891 Communicate (494.08679s) stopped
T01 << 1462336191.98974204 Hamiltonian (2573.33922s) stopped
T01 >> 1462336191.98980308 LCAO eigensolver (930.17374s) started
T01 >> 1462336191.98981595 Potential matrix (29.30048s) started
T01 << 1462336192.24221492 Potential matrix (29.55288s) stopped
T01 >> 1462336192.24228001 DistributedAtomicCorrection (156.68766s) started
T01 << 1462336193.56296301 DistributedAtomicCorrection (158.00834s) stopped
T01 >> 1462336193.56302905 Distribute overlap matrix (129.18655s) started
T01 >> 1462336193.56305003 blocked summation (122.32137s) started
T01 << 1462336194.66610003 blocked summation (123.42442s) stopped
T01 >> 1462336194.66691399 Scalapack redistribute (6.67416s) started
T01 << 1462336194.71723104 Scalapack redistribute (6.72447s) stopped
T01 << 1462336194.71732092 Distribute overlap matrix (130.34084s) stopped
T01 >> 1462336194.71795511 Blacs Orbital Layouts (318.44990s) started
T01 >> 1462336194.71865392 General diagonalize (312.17951s) started
T01 << 1462336197.36164093 General diagonalize (314.82250s) stopped
T01 >> 1462336197.36169410 Redistribute coefs (0.32766s) started
T01 << 1462336197.36402202 Redistribute coefs (0.32999s) stopped
T01 >> 1462336197.36409211 Send coefs to domains (5.76132s) started
T01 << 1462336197.41374302 Send coefs to domains (5.81097s) stopped
T01 << 1462336197.41378593 Blacs Orbital Layouts (321.14573s) stopped
T01 >> 1462336197.41382098 Calculate projections (296.44608s) started
T01 << 1462336199.95710492 Calculate projections (298.98936s) stopped
T01 << 1462336199.95716906 LCAO eigensolver (938.14111s) stopped
T01 >> 1462336199.95783591 Density (224.56981s) started
T01 >> 1462336199.95784807 Pseudo density (184.74414s) started
T01 >> 1462336199.95822096 Calculate density matrix (165.76410s) started
T01 << 1462336201.47275209 Calculate density matrix (167.27863s) stopped
T01 >> 1462336201.47282195 Construct density (18.67301s) started
T01 << 1462336201.64041090 Construct density (18.84060s) stopped
T01 >> 1462336201.64153910 Symmetrize density (0.00470s) started
T01 << 1462336201.64156890 Symmetrize density (0.00473s) stopped
T01 << 1462336201.64192605 Pseudo density (186.42822s) stopped
T01 >> 1462336201.64194608 Atomic density matrices (26.31991s) started
T01 << 1462336201.87637210 Atomic density matrices (26.55434s) stopped
T01 >> 1462336201.87640595 Multipole moments (0.39078s) started
T01 << 1462336201.88024092 Multipole moments (0.39462s) stopped
T01 >> 1462336201.88026309 Normalize (0.11528s) started
T01 << 1462336201.88125110 Normalize (0.11627s) stopped
T01 >> 1462336201.88128805 Mix (12.99268s) started
T01 << 1462336201.99736190 Mix (13.10876s) stopped
T01 << 1462336201.99741602 Density (226.60939s) stopped
T01 >> 1462336201.99753094 Hamiltonian (2573.33924s) started
T01 >> 1462336201.99755096 vbar (1.26468s) started
T01 << 1462336202.00878406 vbar (1.27591s) stopped
T01 >> 1462336202.00887704 XC 3D grid (1120.54234s) started
T01 >> 1462336202.18635297 van der Waals (1081.22347s) started
T01 >> 1462336202.22868299 semilocal (247.09207s) started
T01 << 1462336204.46087909 semilocal (249.32427s) stopped
T01 >> 1462336204.48913503 redistribute (123.56720s) started
T01 << 1462336204.87112689 redistribute (123.94919s) stopped
T01 >> 1462336204.87117910 libvdwxc nonlocal (702.32986s) started
T01 << 1462336211.17204404 libvdwxc nonlocal (708.63073s) stopped
T01 >> 1462336211.17211294 redistribute (123.94922s) started
T01 << 1462336211.90693593 redistribute (124.68404s) stopped
T01 << 1462336211.90807605 van der Waals (1090.94519s) stopped
T01 << 1462336212.09026790 XC 3D grid (1130.62373s) stopped
T01 >> 1462336212.09031606 Poisson (255.82477s) started
T01 << 1462336214.94500303 Poisson (258.67945s) stopped
T01 >> 1462336214.94505501 Hartree integrate/restrict (8.87872s) started
T01 << 1462336214.96042705 Hartree integrate/restrict (8.89410s) stopped
T01 >> 1462336214.96052098 Hartree integrate/restrict (8.89415s) started
T01 << 1462336215.02369905 Hartree integrate/restrict (8.95733s) stopped
T01 >> 1462336215.04872990 Atomic (690.33465s) started
T01 >> 1462336215.05818796 XC Correction (688.96109s) started
T01 << 1462336221.23930812 XC Correction (695.14221s) stopped
T01 << 1462336221.24230289 Atomic (696.52822s) stopped
T01 >> 1462336221.24241805 Communicate (494.08681s) started
T01 << 1462336226.30094004 Communicate (499.14533s) stopped
T01 << 1462336226.30096412 Hamiltonian (2597.64267s) stopped
T01 >> 1462336226.30102491 LCAO eigensolver (938.14112s) started
T01 >> 1462336226.30103803 Potential matrix (29.55292s) started
T01 << 1462336226.55509400 Potential matrix (29.80697s) stopped
T01 >> 1462336226.55515599 DistributedAtomicCorrection (158.00838s) started
T01 << 1462336227.88181806 DistributedAtomicCorrection (159.33504s) stopped
T01 >> 1462336227.88188505 Distribute overlap matrix (130.34085s) started
T01 >> 1462336227.88190508 blocked summation (123.42446s) started
T01 << 1462336228.99310803 blocked summation (124.53566s) stopped
T01 >> 1462336228.99392009 Scalapack redistribute (6.72452s) started
T01 << 1462336229.05301309 Scalapack redistribute (6.78361s) stopped
T01 << 1462336229.05308008 Distribute overlap matrix (131.51205s) stopped
T01 >> 1462336229.05372906 Blacs Orbital Layouts (321.14574s) started
T01 >> 1462336229.05429411 General diagonalize (314.82253s) started
T01 << 1462336231.68062592 General diagonalize (317.44887s) stopped
T01 >> 1462336231.68067908 Redistribute coefs (0.33002s) started
T01 << 1462336231.68307710 Redistribute coefs (0.33242s) stopped
T01 >> 1462336231.68314695 Send coefs to domains (5.81101s) started
T01 << 1462336231.73196793 Send coefs to domains (5.85983s) stopped
T01 << 1462336231.73201203 Blacs Orbital Layouts (323.82402s) stopped
T01 >> 1462336231.73204994 Calculate projections (298.98941s) started
T01 << 1462336234.27545404 Calculate projections (301.53282s) stopped
T01 << 1462336234.27551794 LCAO eigensolver (946.11561s) stopped
T01 >> 1462336234.27619004 Density (226.60944s) started
T01 >> 1462336234.27620196 Pseudo density (186.42823s) started
T01 >> 1462336234.27659893 Calculate density matrix (167.27867s) started
T01 << 1462336235.79160905 Calculate density matrix (168.79368s) stopped
T01 >> 1462336235.79168010 Construct density (18.84064s) started
T01 << 1462336235.95952511 Construct density (19.00848s) stopped
T01 >> 1462336235.96064496 Symmetrize density (0.00474s) started
T01 << 1462336235.96067500 Symmetrize density (0.00477s) stopped
T01 << 1462336235.96102691 Pseudo density (188.11306s) stopped
T01 >> 1462336235.96104693 Atomic density matrices (26.55436s) started
T01 << 1462336236.19378090 Atomic density matrices (26.78709s) stopped
T01 >> 1462336236.19381499 Multipole moments (0.39463s) started
T01 << 1462336236.19758296 Multipole moments (0.39840s) stopped
T01 >> 1462336236.19760799 Normalize (0.11629s) started
T01 << 1462336236.19858503 Normalize (0.11727s) stopped
T01 >> 1462336236.19863296 Mix (13.10881s) started
T01 << 1462336236.31408596 Mix (13.22426s) stopped
T01 << 1462336236.31416988 Density (228.64742s) stopped
T01 >> 1462336236.31426692 Hamiltonian (2597.64268s) started
T01 >> 1462336236.31428790 vbar (1.27596s) started
T01 << 1462336236.32680798 vbar (1.28848s) stopped
T01 >> 1462336236.32688689 XC 3D grid (1130.62377s) started
T01 >> 1462336236.49657512 van der Waals (1090.94525s) started
T01 >> 1462336236.53693295 semilocal (249.32433s) started
T01 << 1462336238.75550890 semilocal (251.54290s) stopped
T01 >> 1462336238.78788590 redistribute (124.68408s) started
T01 << 1462336239.18009305 redistribute (125.07629s) stopped
T01 >> 1462336239.18014598 libvdwxc nonlocal (708.63077s) started
T01 << 1462336245.54606509 libvdwxc nonlocal (714.99668s) stopped
T01 >> 1462336245.54614496 redistribute (125.07632s) started
T01 << 1462336246.26656103 redistribute (125.79674s) stopped
T01 << 1462336246.26756501 van der Waals (1100.71624s) stopped
T01 << 1462336246.44906712 XC 3D grid (1140.74595s) stopped
T01 >> 1462336246.44910908 Poisson (258.67949s) started
T01 << 1462336248.74543190 Poisson (260.97582s) stopped
T01 >> 1462336248.74549103 Hartree integrate/restrict (8.95738s) started
T01 << 1462336248.76078105 Hartree integrate/restrict (8.97267s) stopped
T01 >> 1462336248.76083207 Hartree integrate/restrict (8.97271s) started
T01 << 1462336248.82413507 Hartree integrate/restrict (9.03601s) stopped
T01 >> 1462336248.84532094 Atomic (696.52824s) started
T01 >> 1462336248.85480499 XC Correction (695.14223s) started
T01 << 1462336255.08851099 XC Correction (701.37594s) stopped
T01 << 1462336255.09149694 Atomic (702.77442s) stopped
T01 >> 1462336255.09161592 Communicate (499.14535s) started
T01 << 1462336260.09430194 Communicate (504.14803s) stopped
T01 << 1462336260.09432507 Hamiltonian (2621.42274s) stopped
T01 >> 1462336260.09438705 LCAO eigensolver (946.11563s) started
T01 >> 1462336260.09439993 Potential matrix (29.80701s) started
T01 << 1462336260.34865093 Potential matrix (30.06126s) stopped
T01 >> 1462336260.34871697 DistributedAtomicCorrection (159.33507s) started
T01 << 1462336261.66945291 DistributedAtomicCorrection (160.65580s) stopped
T01 >> 1462336261.66951990 Distribute overlap matrix (131.51206s) started
T01 >> 1462336261.66954088 blocked summation (124.53570s) started
T01 << 1462336262.74956799 blocked summation (125.61572s) stopped
T01 >> 1462336262.75041103 Scalapack redistribute (6.78364s) started
T01 << 1462336262.80955696 Scalapack redistribute (6.84279s) stopped
T01 << 1462336262.80962706 Distribute overlap matrix (132.65217s) stopped
T01 >> 1462336262.81020498 Blacs Orbital Layouts (323.82404s) started
T01 >> 1462336262.81146789 General diagonalize (317.44890s) started
T01 << 1462336265.46708107 General diagonalize (320.10451s) stopped
T01 >> 1462336265.46713495 Redistribute coefs (0.33245s) started
T01 << 1462336265.46945691 Redistribute coefs (0.33477s) stopped
T01 >> 1462336265.46952701 Send coefs to domains (5.85986s) started
T01 << 1462336265.51850605 Send coefs to domains (5.90884s) stopped
T01 << 1462336265.51876807 Blacs Orbital Layouts (326.53260s) stopped
T01 >> 1462336265.51881099 Calculate projections (301.53286s) started
T01 << 1462336268.06197810 Calculate projections (304.07603s) stopped
T01 << 1462336268.06204391 LCAO eigensolver (954.08328s) stopped
T01 >> 1462336268.06267691 Density (228.64744s) started
T01 >> 1462336268.06268907 Pseudo density (188.11307s) started
T01 >> 1462336268.06304908 Calculate density matrix (168.79371s) started
T01 << 1462336269.56538296 Calculate density matrix (170.29605s) stopped
T01 >> 1462336269.56545496 Construct density (19.00851s) started
T01 << 1462336269.73302388 Construct density (19.17608s) stopped
T01 >> 1462336269.73414397 Symmetrize density (0.00478s) started
T01 << 1462336269.73417401 Symmetrize density (0.00481s) stopped
T01 << 1462336269.73452711 Pseudo density (189.78491s) stopped
T01 >> 1462336269.73457003 Atomic density matrices (26.78712s) started
T01 << 1462336269.96895003 Atomic density matrices (27.02150s) stopped
T01 >> 1462336269.96898293 Multipole moments (0.39842s) started
T01 << 1462336269.97278595 Multipole moments (0.40222s) stopped
T01 >> 1462336269.97280693 Normalize (0.11731s) started
T01 << 1462336269.97379398 Normalize (0.11830s) stopped
T01 >> 1462336269.97382689 Mix (13.22434s) started
T01 << 1462336270.08795500 Mix (13.33847s) stopped
T01 << 1462336270.08804893 Density (230.67281s) stopped
T01 >> 1462336270.08814597 Hamiltonian (2621.42275s) started
T01 >> 1462336270.08816695 vbar (1.28853s) started
T01 << 1462336270.10069203 vbar (1.30106s) stopped
T01 >> 1462336270.10076904 XC 3D grid (1140.74598s) started
T01 >> 1462336270.28051496 van der Waals (1100.71626s) started
T01 >> 1462336270.32250500 semilocal (251.54298s) started
T01 << 1462336272.56538892 semilocal (253.78586s) stopped
T01 >> 1462336272.59494090 redistribute (125.79677s) started
T01 << 1462336272.97942996 redistribute (126.18126s) stopped
T01 >> 1462336272.97948289 libvdwxc nonlocal (714.99673s) started
T01 << 1462336279.28919506 libvdwxc nonlocal (721.30644s) stopped
T01 >> 1462336279.28926706 redistribute (126.18129s) started
T01 << 1462336280.02751493 redistribute (126.91954s) stopped
T01 << 1462336280.02883101 van der Waals (1110.46458s) stopped
T01 << 1462336280.21068907 XC 3D grid (1150.85590s) stopped
T01 >> 1462336280.21072698 Poisson (260.97586s) started
T01 << 1462336282.50712204 Poisson (263.27225s) stopped
T01 >> 1462336282.50716901 Hartree integrate/restrict (9.03604s) started
T01 << 1462336282.52255392 Hartree integrate/restrict (9.05143s) stopped
T01 >> 1462336282.52266312 Hartree integrate/restrict (9.05151s) started
T01 << 1462336282.58608103 Hartree integrate/restrict (9.11493s) stopped
T01 >> 1462336282.61049104 Atomic (702.77443s) started
T01 >> 1462336282.62007594 XC Correction (701.37596s) started
T01 << 1462336288.90223408 XC Correction (707.65812s) stopped
T01 << 1462336288.90521908 Atomic (709.06916s) stopped
T01 >> 1462336288.90533400 Communicate (504.14805s) started
T01 << 1462336294.15018511 Communicate (509.39290s) stopped
T01 << 1462336294.15020895 Hamiltonian (2645.48481s) stopped
T01 >> 1462336294.15026808 LCAO eigensolver (954.08330s) started
T01 >> 1462336294.15028095 Potential matrix (30.06129s) started
T01 << 1462336294.40553594 Potential matrix (30.31655s) stopped
T01 >> 1462336294.40560603 DistributedAtomicCorrection (160.65583s) started
T01 << 1462336295.73702312 DistributedAtomicCorrection (161.98725s) stopped
T01 >> 1462336295.73708892 Distribute overlap matrix (132.65218s) started
T01 >> 1462336295.73710990 blocked summation (125.61577s) started
T01 << 1462336296.82539010 blocked summation (126.70405s) stopped
T01 >> 1462336296.82620311 Scalapack redistribute (6.84282s) started
T01 << 1462336296.88480210 Scalapack redistribute (6.90142s) stopped
T01 << 1462336296.88486791 Distribute overlap matrix (133.79996s) stopped
T01 >> 1462336296.88545108 Blacs Orbital Layouts (326.53262s) started
T01 >> 1462336296.88673091 General diagonalize (320.10454s) started
T01 << 1462336299.51590991 General diagonalize (322.73372s) stopped
T01 >> 1462336299.51596189 Redistribute coefs (0.33480s) started
T01 << 1462336299.51835108 Redistribute coefs (0.33719s) stopped
T01 >> 1462336299.51842308 Send coefs to domains (5.90887s) started
T01 << 1462336299.56853509 Send coefs to domains (5.95898s) stopped
T01 << 1462336299.56878901 Blacs Orbital Layouts (329.21596s) stopped
T01 >> 1462336299.56883001 Calculate projections (304.07608s) started
T01 << 1462336302.11218190 Calculate projections (306.61943s) stopped
T01 << 1462336302.11224890 LCAO eigensolver (962.04528s) stopped
T01 >> 1462336302.11293006 Density (230.67283s) started
T01 >> 1462336302.11294198 Pseudo density (189.78495s) started
T01 >> 1462336302.11333299 Calculate density matrix (170.29608s) started
T01 << 1462336303.61890602 Calculate density matrix (171.80166s) stopped
T01 >> 1462336303.61897612 Construct density (19.17612s) started
T01 << 1462336303.78670192 Construct density (19.34384s) stopped
T01 >> 1462336303.78780389 Symmetrize density (0.00482s) started
T01 << 1462336303.78783488 Symmetrize density (0.00485s) stopped
T01 << 1462336303.78818607 Pseudo density (191.46019s) stopped
T01 >> 1462336303.78820491 Atomic density matrices (27.02152s) started
T01 << 1462336304.02197194 Atomic density matrices (27.25529s) stopped
T01 >> 1462336304.02200389 Multipole moments (0.40223s) started
T01 << 1462336304.02584195 Multipole moments (0.40607s) stopped
T01 >> 1462336304.02586389 Normalize (0.11832s) started
T01 << 1462336304.02684689 Normalize (0.11930s) stopped
T01 >> 1462336304.02687907 Mix (13.33856s) started
T01 << 1462336304.14277601 Mix (13.45445s) stopped
T01 << 1462336304.14286804 Density (232.70277s) stopped
T01 >> 1462336304.14297700 Hamiltonian (2645.48483s) started
T01 >> 1462336304.14299798 vbar (1.30110s) started
T01 << 1462336304.15546489 vbar (1.31357s) stopped
T01 >> 1462336304.15554905 XC 3D grid (1150.85593s) started
T01 >> 1462336304.32786298 van der Waals (1110.46463s) started
T01 >> 1462336304.37128901 semilocal (253.78593s) started
T01 << 1462336306.59995890 semilocal (256.01460s) stopped
T01 >> 1462336306.62945390 redistribute (126.91957s) started
T01 << 1462336307.01137996 redistribute (127.30150s) stopped
T01 >> 1462336307.01143098 libvdwxc nonlocal (721.30649s) started
T01 << 1462336313.33263302 libvdwxc nonlocal (727.62769s) stopped
T01 >> 1462336313.33269596 redistribute (127.30153s) started
T01 << 1462336314.07119012 redistribute (128.04003s) stopped
T01 << 1462336314.07247710 van der Waals (1120.20925s) stopped
T01 << 1462336314.25160694 XC 3D grid (1160.95199s) stopped
T01 >> 1462336314.25166297 Poisson (263.27229s) started
T01 << 1462336316.53824306 Poisson (265.55887s) stopped
T01 >> 1462336316.53832102 Hartree integrate/restrict (9.11496s) started
T01 << 1462336316.55349708 Hartree integrate/restrict (9.13013s) stopped
T01 >> 1462336316.55364299 Hartree integrate/restrict (9.13023s) started
T01 << 1462336316.61697102 Hartree integrate/restrict (9.19355s) stopped
T01 >> 1462336316.64184904 Atomic (709.06918s) started
T01 >> 1462336316.65146708 XC Correction (707.65814s) started
T01 << 1462336322.88405490 XC Correction (713.89073s) stopped
T01 << 1462336322.88707900 Atomic (715.31441s) stopped
T01 >> 1462336322.88719296 Communicate (509.39292s) started
T01 << 1462336328.20096898 Communicate (514.70669s) stopped
T01 << 1462336328.20099211 Hamiltonian (2669.54284s) stopped
T01 >> 1462336328.20105290 LCAO eigensolver (962.04529s) started
T01 >> 1462336328.20106602 Potential matrix (30.31658s) started
T01 << 1462336328.45463109 Potential matrix (30.57015s) stopped
T01 >> 1462336328.45469499 DistributedAtomicCorrection (161.98728s) started
T01 << 1462336329.78790212 DistributedAtomicCorrection (163.32049s) stopped
T01 >> 1462336329.78796792 Distribute overlap matrix (133.79997s) started
T01 >> 1462336329.78798890 blocked summation (126.70408s) started
T01 << 1462336330.88177395 blocked summation (127.79787s) stopped
T01 >> 1462336330.88259792 Scalapack redistribute (6.90145s) started
T01 << 1462336330.94070101 Scalapack redistribute (6.95955s) stopped
T01 << 1462336330.94076800 Distribute overlap matrix (134.95277s) stopped
T01 >> 1462336330.94134212 Blacs Orbital Layouts (329.21597s) started
T01 >> 1462336330.94191408 General diagonalize (322.73375s) started
T01 << 1462336333.57341790 General diagonalize (325.36526s) stopped
T01 >> 1462336333.57347012 Redistribute coefs (0.33722s) started
T01 << 1462336333.57672906 Redistribute coefs (0.34048s) stopped
T01 >> 1462336333.57676601 Send coefs to domains (5.95902s) started
T01 << 1462336333.62617803 Send coefs to domains (6.00843s) stopped
T01 << 1462336333.62622404 Blacs Orbital Layouts (331.90086s) stopped
T01 >> 1462336333.62626410 Calculate projections (306.61948s) started
T01 << 1462336336.16967511 Calculate projections (309.16289s) stopped
T01 << 1462336336.16973901 LCAO eigensolver (970.01397s) stopped
T01 >> 1462336336.17039895 Density (232.70278s) started
T01 >> 1462336336.17041111 Pseudo density (191.46021s) started
T01 >> 1462336336.17083001 Calculate density matrix (171.80169s) started
T01 << 1462336337.67598009 Calculate density matrix (173.30684s) stopped
T01 >> 1462336337.67604899 Construct density (19.34388s) started
T01 << 1462336337.84422112 Construct density (19.51205s) stopped
T01 >> 1462336337.84535289 Symmetrize density (0.00487s) started
T01 << 1462336337.84538388 Symmetrize density (0.00490s) stopped
T01 << 1462336337.84574699 Pseudo density (193.13554s) stopped
T01 >> 1462336337.84576607 Atomic density matrices (27.25531s) started
T01 << 1462336338.08074498 Atomic density matrices (27.49029s) stopped
T01 >> 1462336338.08077788 Multipole moments (0.40609s) started
T01 << 1462336338.08464408 Multipole moments (0.40995s) stopped
T01 >> 1462336338.08466601 Normalize (0.11933s) started
T01 << 1462336338.08565092 Normalize (0.12031s) stopped
T01 >> 1462336338.08568311 Mix (13.45454s) started
T01 << 1462336338.20139909 Mix (13.57026s) stopped
T01 << 1462336338.20148206 Density (234.73387s) stopped
T01 >> 1462336338.20159101 Hamiltonian (2669.54285s) started
T01 >> 1462336338.20162892 vbar (1.31361s) started
T01 << 1462336338.21381497 vbar (1.32580s) stopped
T01 >> 1462336338.21389699 XC 3D grid (1160.95203s) started
T01 >> 1462336338.39297295 van der Waals (1120.20932s) started
T01 >> 1462336338.43529296 semilocal (256.01466s) started
T01 << 1462336340.67848897 semilocal (258.25786s) stopped
T01 >> 1462336340.70780301 redistribute (128.04006s) started
T01 << 1462336341.08792496 redistribute (128.42019s) stopped
T01 >> 1462336341.08797789 libvdwxc nonlocal (727.62772s) started
T01 << 1462336347.42293906 libvdwxc nonlocal (733.96268s) stopped
T01 >> 1462336347.42302394 redistribute (128.42022s) started
T01 << 1462336348.14503503 redistribute (129.14223s) stopped
T01 << 1462336348.14613390 van der Waals (1129.96248s) stopped
T01 << 1462336348.32812405 XC 3D grid (1171.06626s) stopped
T01 >> 1462336348.32816195 Poisson (265.55893s) started
T01 << 1462336350.61790609 Poisson (267.84867s) stopped
T01 >> 1462336350.61798096 Hartree integrate/restrict (9.19358s) started
T01 << 1462336350.63320994 Hartree integrate/restrict (9.20881s) stopped
T01 >> 1462336350.63326597 Hartree integrate/restrict (9.20885s) started
T01 << 1462336350.69608498 Hartree integrate/restrict (9.27166s) stopped
T01 >> 1462336350.71722007 Atomic (715.31442s) started
T01 >> 1462336350.72706008 XC Correction (713.89075s) started
T01 << 1462336357.01289892 XC Correction (720.17659s) stopped
T01 << 1462336357.01594210 Atomic (721.61314s) stopped
T01 >> 1462336357.01605606 Communicate (514.70671s) started
T01 << 1462336362.33119893 Communicate (520.02185s) stopped
T01 << 1462336362.33122206 Hamiltonian (2693.67248s) stopped
T01 >> 1462336362.33128190 LCAO eigensolver (970.01399s) started
T01 >> 1462336362.33129501 Potential matrix (30.57018s) started
T01 << 1462336362.58483505 Potential matrix (30.82372s) stopped
T01 >> 1462336362.58489704 DistributedAtomicCorrection (163.32052s) started
T01 << 1462336363.92890811 DistributedAtomicCorrection (164.66453s) stopped
T01 >> 1462336363.92897201 Distribute overlap matrix (134.95278s) started
T01 >> 1462336363.92899299 blocked summation (127.79790s) started
T01 << 1462336365.00904703 blocked summation (128.87796s) stopped
T01 >> 1462336365.00985789 Scalapack redistribute (6.95958s) started
T01 << 1462336365.06784201 Scalapack redistribute (7.01757s) stopped
T01 << 1462336365.06790805 Distribute overlap matrix (136.09172s) stopped
T01 >> 1462336365.06849194 Blacs Orbital Layouts (331.90087s) started
T01 >> 1462336365.06982207 General diagonalize (325.36529s) started
T01 << 1462336367.70401502 General diagonalize (327.99948s) stopped
T01 >> 1462336367.70406508 Redistribute coefs (0.34050s) started
T01 << 1462336367.70735598 Redistribute coefs (0.34380s) stopped
T01 >> 1462336367.70739388 Send coefs to domains (6.00847s) started
T01 << 1462336367.75569201 Send coefs to domains (6.05676s) stopped
T01 << 1462336367.75593400 Blacs Orbital Layouts (334.58831s) stopped
T01 >> 1462336367.75597596 Calculate projections (309.16294s) started
T01 << 1462336370.29935503 Calculate projections (311.70632s) stopped
T01 << 1462336370.29942107 LCAO eigensolver (977.98213s) stopped
T01 >> 1462336370.30006790 Density (234.73388s) started
T01 >> 1462336370.30008006 Pseudo density (193.13556s) started
T01 >> 1462336370.30046010 Calculate density matrix (173.30688s) started
T01 << 1462336371.82074499 Calculate density matrix (174.82716s) stopped
T01 >> 1462336371.82081604 Construct density (19.51208s) started
T01 << 1462336371.98831391 Construct density (19.67958s) stopped
T01 >> 1462336371.98943496 Symmetrize density (0.00491s) started
T01 << 1462336371.98946500 Symmetrize density (0.00494s) stopped
T01 << 1462336371.98982310 Pseudo density (194.82530s) stopped
T01 >> 1462336371.98984289 Atomic density matrices (27.49031s) started
T01 << 1462336372.22443295 Atomic density matrices (27.72490s) stopped
T01 >> 1462336372.22446609 Multipole moments (0.40997s) started
T01 << 1462336372.22836494 Multipole moments (0.41387s) stopped
T01 >> 1462336372.22838712 Normalize (0.12034s) started
T01 << 1462336372.22936893 Normalize (0.12132s) stopped
T01 >> 1462336372.22940302 Mix (13.57034s) started
T01 << 1462336372.34508991 Mix (13.68602s) stopped
T01 << 1462336372.34519291 Density (236.77901s) stopped
T01 >> 1462336372.34529710 Hamiltonian (2693.67250s) started
T01 >> 1462336372.34531689 vbar (1.32585s) started
T01 << 1462336372.35767603 vbar (1.33820s) stopped
T01 >> 1462336372.35775495 XC 3D grid (1171.06629s) started
T01 >> 1462336372.53746891 van der Waals (1129.96256s) started
T01 >> 1462336372.57934189 semilocal (258.25792s) started
T01 << 1462336374.81105804 semilocal (260.48964s) stopped
T01 >> 1462336374.84100199 redistribute (129.14227s) started
T01 << 1462336375.21186805 redistribute (129.51313s) stopped
T01 >> 1462336375.21192098 libvdwxc nonlocal (733.96273s) started
T01 << 1462336381.50514507 libvdwxc nonlocal (740.25596s) stopped
T01 >> 1462336381.50522590 redistribute (129.51317s) started
T01 << 1462336382.24046803 redistribute (130.24841s) stopped
T01 << 1462336382.24181700 van der Waals (1139.66690s) stopped
T01 << 1462336382.42351389 XC 3D grid (1181.13205s) stopped
T01 >> 1462336382.42355108 Poisson (267.84873s) started
T01 << 1462336384.71733594 Poisson (270.14251s) stopped
T01 >> 1462336384.71739888 Hartree integrate/restrict (9.27169s) started
T01 << 1462336384.73284602 Hartree integrate/restrict (9.28714s) stopped
T01 >> 1462336384.73295093 Hartree integrate/restrict (9.28722s) started
T01 << 1462336384.79643106 Hartree integrate/restrict (9.35070s) stopped
T01 >> 1462336384.81764102 Atomic (721.61316s) started
T01 >> 1462336384.82733488 XC Correction (720.17661s) started
T01 << 1462336391.06139207 XC Correction (726.41067s) stopped
T01 << 1462336391.06442189 Atomic (727.85994s) stopped
T01 >> 1462336391.06453300 Communicate (520.02187s) started
T01 << 1462336396.41873193 Communicate (525.37607s) stopped
T01 << 1462336396.41875505 Hamiltonian (2717.74596s) stopped
T01 >> 1462336396.41881490 LCAO eigensolver (977.98214s) started
T01 >> 1462336396.41882801 Potential matrix (30.82376s) started
T01 << 1462336396.67209697 Potential matrix (31.07703s) stopped
T01 >> 1462336396.67215991 DistributedAtomicCorrection (164.66456s) started
T01 << 1462336398.01325989 DistributedAtomicCorrection (166.00566s) stopped
T01 >> 1462336398.01332688 Distribute overlap matrix (136.09173s) started
T01 >> 1462336398.01334906 blocked summation (128.87799s) started
T01 << 1462336399.09582210 blocked summation (129.96047s) stopped
T01 >> 1462336399.09664106 Scalapack redistribute (7.01760s) started
T01 << 1462336399.15587497 Scalapack redistribute (7.07683s) stopped
T01 << 1462336399.15594196 Distribute overlap matrix (137.23434s) stopped
T01 >> 1462336399.15651989 Blacs Orbital Layouts (334.58833s) started
T01 >> 1462336399.15765595 General diagonalize (327.99951s) started
T01 << 1462336401.81507301 General diagonalize (330.65693s) stopped
T01 >> 1462336401.81512594 Redistribute coefs (0.34383s) started
T01 << 1462336401.81742001 Redistribute coefs (0.34612s) stopped
T01 >> 1462336401.81751204 Send coefs to domains (6.05679s) started
T01 << 1462336401.86709404 Send coefs to domains (6.10638s) stopped
T01 << 1462336401.86734295 Blacs Orbital Layouts (337.29915s) stopped
T01 >> 1462336401.86738491 Calculate projections (311.70636s) started
T01 << 1462336404.41065788 Calculate projections (314.24964s) stopped
T01 << 1462336404.41072202 LCAO eigensolver (985.97404s) stopped
T01 >> 1462336404.41143608 Density (236.77902s) started
T01 >> 1462336404.41144705 Pseudo density (194.82531s) started
T01 >> 1462336404.41183400 Calculate density matrix (174.82720s) started
T01 << 1462336405.91892791 Calculate density matrix (176.33429s) stopped
T01 >> 1462336405.91899800 Construct density (19.67961s) started
T01 << 1462336406.08646894 Construct density (19.84708s) stopped
T01 >> 1462336406.08759904 Symmetrize density (0.00495s) started
T01 << 1462336406.08763194 Symmetrize density (0.00498s) stopped
T01 << 1462336406.08798599 Pseudo density (196.50185s) stopped
T01 >> 1462336406.08800507 Atomic density matrices (27.72492s) started
T01 << 1462336406.32328105 Atomic density matrices (27.96020s) stopped
T01 >> 1462336406.32331395 Multipole moments (0.41388s) started
T01 << 1462336406.32721090 Multipole moments (0.41778s) stopped
T01 >> 1462336406.32723308 Normalize (0.12134s) started
T01 << 1462336406.32822299 Normalize (0.12233s) stopped
T01 >> 1462336406.32825589 Mix (13.68612s) started
T01 << 1462336406.44351411 Mix (13.80138s) stopped
T01 << 1462336406.44356894 Density (238.81116s) stopped
T01 >> 1462336406.44367695 Hamiltonian (2717.74597s) started
T01 >> 1462336406.44369793 vbar (1.33825s) started
T01 << 1462336406.45603991 vbar (1.35059s) stopped
T01 >> 1462336406.45613790 XC 3D grid (1181.13208s) started
T01 >> 1462336406.63452196 van der Waals (1139.66693s) started
T01 >> 1462336406.67733908 semilocal (260.48969s) started
T01 << 1462336408.92090797 semilocal (262.73326s) stopped
T01 >> 1462336408.95011210 redistribute (130.24844s) started
T01 << 1462336409.31661010 redistribute (130.61494s) stopped
T01 >> 1462336409.31666207 libvdwxc nonlocal (740.25600s) started
T01 << 1462336415.66634202 libvdwxc nonlocal (746.60568s) stopped
T01 >> 1462336415.66642308 redistribute (130.61497s) started
T01 << 1462336416.40307403 redistribute (131.35162s) stopped
T01 << 1462336416.40422297 van der Waals (1149.43663s) stopped
T01 << 1462336416.58455300 XC 3D grid (1191.26049s) stopped
T01 >> 1462336416.58459306 Poisson (270.14256s) started
T01 << 1462336418.86033010 Poisson (272.41830s) stopped
T01 >> 1462336418.86040497 Hartree integrate/restrict (9.35072s) started
T01 << 1462336418.87569904 Hartree integrate/restrict (9.36602s) stopped
T01 >> 1462336418.87576890 Hartree integrate/restrict (9.36606s) started
T01 << 1462336418.93913794 Hartree integrate/restrict (9.42943s) stopped
T01 >> 1462336418.96189404 Atomic (727.85996s) started
T01 >> 1462336418.97166991 XC Correction (726.41068s) started
T01 << 1462336425.23551512 XC Correction (732.67453s) stopped
T01 << 1462336425.23857093 Atomic (734.13664s) stopped
T01 >> 1462336425.23868895 Communicate (525.37608s) started
T01 << 1462336430.46289301 Communicate (530.60028s) stopped
T01 << 1462336430.46293592 Hamiltonian (2741.76523s) stopped
T01 >> 1462336430.46304607 LCAO eigensolver (985.97406s) started
T01 >> 1462336430.46306109 Potential matrix (31.07706s) started
T01 << 1462336430.71645498 Potential matrix (31.33046s) stopped
T01 >> 1462336430.71651602 DistributedAtomicCorrection (166.00569s) started
T01 << 1462336432.06216097 DistributedAtomicCorrection (167.35133s) stopped
T01 >> 1462336432.06222892 Distribute overlap matrix (137.23436s) started
T01 >> 1462336432.06224895 blocked summation (129.96050s) started
T01 << 1462336433.14712310 blocked summation (131.04538s) stopped
T01 >> 1462336433.14792490 Scalapack redistribute (7.07687s) started
T01 << 1462336433.20717406 Scalapack redistribute (7.13612s) stopped
T01 << 1462336433.20724010 Distribute overlap matrix (138.37937s) stopped
T01 >> 1462336433.20782089 Blacs Orbital Layouts (337.29917s) started
T01 >> 1462336433.20895410 General diagonalize (330.65696s) started
T01 << 1462336435.85546589 General diagonalize (333.30347s) stopped
T01 >> 1462336435.85551810 Redistribute coefs (0.34617s) started
T01 << 1462336435.85874796 Redistribute coefs (0.34940s) stopped
T01 >> 1462336435.85878611 Send coefs to domains (6.10641s) started
T01 << 1462336435.90846992 Send coefs to domains (6.15609s) stopped
T01 << 1462336435.90873003 Blacs Orbital Layouts (340.00008s) stopped
T01 >> 1462336435.90877008 Calculate projections (314.24968s) started
T01 << 1462336438.45171690 Calculate projections (316.79263s) stopped
T01 << 1462336438.45178103 LCAO eigensolver (993.96279s) stopped
T01 >> 1462336438.45246410 Density (238.81117s) started
T01 >> 1462336438.45247602 Pseudo density (196.50187s) started
T01 >> 1462336438.45287395 Calculate density matrix (176.33433s) started
T01 << 1462336439.96553612 Calculate density matrix (177.84699s) stopped
T01 >> 1462336439.96561193 Construct density (19.84711s) started
T01 << 1462336440.13349700 Construct density (20.01500s) stopped
T01 >> 1462336440.13463092 Symmetrize density (0.00499s) started
T01 << 1462336440.13466191 Symmetrize density (0.00502s) stopped
T01 << 1462336440.13501406 Pseudo density (198.18441s) stopped
T01 >> 1462336440.13503289 Atomic density matrices (27.96022s) started
T01 << 1462336440.37108493 Atomic density matrices (28.19627s) stopped
T01 >> 1462336440.37111807 Multipole moments (0.41780s) started
T01 << 1462336440.37501907 Multipole moments (0.42170s) stopped
T01 >> 1462336440.37504101 Normalize (0.12236s) started
T01 << 1462336440.37600708 Normalize (0.12333s) stopped
T01 >> 1462336440.37604403 Mix (13.80143s) started
T01 << 1462336440.49182796 Mix (13.91722s) stopped
T01 << 1462336440.49191594 Density (240.85062s) stopped
T01 >> 1462336440.49201488 Hamiltonian (2741.76524s) started
T01 >> 1462336440.49203396 vbar (1.35065s) started
T01 << 1462336440.50450397 vbar (1.36312s) stopped
T01 >> 1462336440.50458288 XC 3D grid (1191.26053s) started
T01 >> 1462336440.67726803 van der Waals (1149.43671s) started
T01 >> 1462336440.72050309 semilocal (262.73330s) started
T01 << 1462336442.95828104 semilocal (264.97108s) stopped
T01 >> 1462336442.98742294 redistribute (131.35166s) started
T01 << 1462336443.36270499 redistribute (131.72695s) stopped
T01 >> 1462336443.36275697 libvdwxc nonlocal (746.60573s) started
T01 << 1462336449.72942901 libvdwxc nonlocal (752.97241s) stopped
T01 >> 1462336449.72950792 redistribute (131.72698s) started
T01 << 1462336450.45524693 redistribute (132.45272s) stopped
T01 << 1462336450.45637107 van der Waals (1159.21581s) stopped
T01 << 1462336450.63930392 XC 3D grid (1201.39525s) stopped
T01 >> 1462336450.63934207 Poisson (272.41836s) started
T01 << 1462336452.35507894 Poisson (274.13409s) stopped
T01 >> 1462336452.35513592 Hartree integrate/restrict (9.42946s) started
T01 << 1462336452.37055302 Hartree integrate/restrict (9.44488s) stopped
T01 >> 1462336452.37059498 Hartree integrate/restrict (9.44491s) started
T01 << 1462336452.43357801 Hartree integrate/restrict (9.50789s) stopped
T01 >> 1462336452.45591807 Atomic (734.13665s) started
T01 >> 1462336452.46566105 XC Correction (732.67455s) started
T01 << 1462336458.70287395 XC Correction (738.91176s) stopped
T01 << 1462336458.70591593 Atomic (740.38665s) stopped
T01 >> 1462336458.70602989 Communicate (530.60031s) started
T01 << 1462336463.89988208 Communicate (535.79417s) stopped
T01 << 1462336463.89991689 Hamiltonian (2765.17314s) stopped
T01 >> 1462336463.90002489 LCAO eigensolver (993.96281s) started
T01 >> 1462336463.90003991 Potential matrix (31.33049s) started
T01 << 1462336464.15461707 Potential matrix (31.58507s) stopped
T01 >> 1462336464.15468001 DistributedAtomicCorrection (167.35137s) started
T01 << 1462336465.48329091 DistributedAtomicCorrection (168.67998s) stopped
T01 >> 1462336465.48335695 Distribute overlap matrix (138.37938s) started
T01 >> 1462336465.48337793 blocked summation (131.04541s) started
T01 << 1462336466.57461500 blocked summation (132.13665s) stopped
T01 >> 1462336466.57548904 Scalapack redistribute (7.13615s) started
T01 << 1462336466.63453388 Scalapack redistribute (7.19519s) stopped
T01 << 1462336466.63459897 Distribute overlap matrix (139.53062s) stopped
T01 >> 1462336466.63518596 Blacs Orbital Layouts (340.00009s) started
T01 >> 1462336466.63642001 General diagonalize (333.30351s) started
T01 << 1462336469.30112696 General diagonalize (335.96821s) stopped
T01 >> 1462336469.30117989 Redistribute coefs (0.34943s) started
T01 << 1462336469.30440497 Redistribute coefs (0.35266s) stopped
T01 >> 1462336469.30444288 Send coefs to domains (6.15613s) started
T01 << 1462336469.35266709 Send coefs to domains (6.20435s) stopped
T01 << 1462336469.35291290 Blacs Orbital Layouts (342.71782s) stopped
T01 >> 1462336469.35295606 Calculate projections (316.79268s) started
T01 << 1462336471.89608407 Calculate projections (319.33581s) stopped
T01 << 1462336471.89614797 LCAO eigensolver (1001.95893s) stopped
T01 >> 1462336471.89681196 Density (240.85064s) started
T01 >> 1462336471.89682388 Pseudo density (198.18442s) started
T01 >> 1462336471.89721704 Calculate density matrix (177.84703s) started
T01 << 1462336473.40290308 Calculate density matrix (179.35272s) stopped
T01 >> 1462336473.40297389 Construct density (20.01503s) started
T01 << 1462336473.57044005 Construct density (20.18250s) stopped
T01 >> 1462336473.57154608 Symmetrize density (0.00504s) started
T01 << 1462336473.57157493 Symmetrize density (0.00506s) stopped
T01 << 1462336473.57192993 Pseudo density (199.85953s) stopped
T01 >> 1462336473.57194996 Atomic density matrices (28.19630s) started
T01 << 1462336473.80802894 Atomic density matrices (28.43238s) stopped
T01 >> 1462336473.80806208 Multipole moments (0.42171s) started
T01 << 1462336473.81200194 Multipole moments (0.42565s) stopped
T01 >> 1462336473.81202412 Normalize (0.12335s) started
T01 << 1462336473.81299591 Normalize (0.12433s) stopped
T01 >> 1462336473.81302905 Mix (13.91730s) started
T01 << 1462336473.92811608 Mix (14.03239s) stopped
T01 << 1462336473.92818809 Density (242.88202s) stopped
T01 >> 1462336473.92828393 Hamiltonian (2765.17316s) started
T01 >> 1462336473.92830300 vbar (1.36317s) started
T01 << 1462336473.94083905 vbar (1.37570s) stopped
T01 >> 1462336473.94093204 XC 3D grid (1201.39528s) started
T01 >> 1462336474.11227489 van der Waals (1159.21585s) started
T01 >> 1462336474.15475988 semilocal (264.97114s) started
T01 << 1462336476.40152502 semilocal (267.21790s) stopped
T01 >> 1462336476.43210411 redistribute (132.45275s) started
T01 << 1462336476.80631900 redistribute (132.82696s) stopped
T01 >> 1462336476.80637097 libvdwxc nonlocal (752.97245s) started
T01 << 1462336483.12103200 libvdwxc nonlocal (759.28711s) stopped
T01 >> 1462336483.12111211 redistribute (132.82699s) started
T01 << 1462336483.85277200 redistribute (133.55865s) stopped
T01 << 1462336483.85414195 van der Waals (1168.95772s) stopped
T01 << 1462336484.03408098 XC 3D grid (1211.48843s) stopped
T01 >> 1462336484.03412294 Poisson (274.13414s) started
T01 << 1462336485.75771093 Poisson (275.85772s) stopped
T01 >> 1462336485.75776410 Hartree integrate/restrict (9.50794s) started
T01 << 1462336485.77299809 Hartree integrate/restrict (9.52317s) stopped
T01 >> 1462336485.77306795 Hartree integrate/restrict (9.52322s) started
T01 << 1462336485.83636403 Hartree integrate/restrict (9.58652s) stopped
T01 >> 1462336485.86052394 Atomic (740.38667s) started
T01 >> 1462336485.87027097 XC Correction (738.91178s) started
T01 << 1462336492.07701111 XC Correction (745.11852s) stopped
T01 << 1462336492.08011293 Atomic (746.60625s) stopped
T01 >> 1462336492.08022809 Communicate (535.79419s) started
T01 << 1462336497.23862910 Communicate (540.95259s) stopped
T01 << 1462336497.23865604 Hamiltonian (2788.48353s) stopped
T01 >> 1462336497.23871994 LCAO eigensolver (1001.95894s) started
T01 >> 1462336497.23873305 Potential matrix (31.58510s) started
T01 << 1462336497.49382091 Potential matrix (31.84019s) stopped
T01 >> 1462336497.49388289 DistributedAtomicCorrection (168.68001s) started
T01 << 1462336498.82789612 DistributedAtomicCorrection (170.01402s) stopped
T01 >> 1462336498.82796192 Distribute overlap matrix (139.53064s) started
T01 >> 1462336498.82798290 blocked summation (132.13672s) started
T01 << 1462336499.91393304 blocked summation (133.22267s) stopped
T01 >> 1462336499.91477299 Scalapack redistribute (7.19522s) started
T01 << 1462336499.97325492 Scalapack redistribute (7.25371s) stopped
T01 << 1462336499.97331905 Distribute overlap matrix (140.67599s) stopped
T01 >> 1462336499.97390389 Blacs Orbital Layouts (342.71784s) started
T01 >> 1462336499.97514200 General diagonalize (335.96824s) started
T01 << 1462336502.62504911 General diagonalize (338.61815s) stopped
T01 >> 1462336502.62510109 Redistribute coefs (0.35269s) started
T01 << 1462336502.62833500 Redistribute coefs (0.35592s) stopped
T01 >> 1462336502.62837291 Send coefs to domains (6.20438s) started
T01 << 1462336502.67666006 Send coefs to domains (6.25267s) stopped
T01 << 1462336502.67690110 Blacs Orbital Layouts (345.42084s) stopped
T01 >> 1462336502.67694712 Calculate projections (319.33586s) started
T01 << 1462336505.23543191 Calculate projections (321.89434s) stopped
T01 << 1462336505.23549891 LCAO eigensolver (1009.95572s) stopped
T01 >> 1462336505.23618698 Density (242.88203s) started
T01 >> 1462336505.23620009 Pseudo density (199.85954s) started
T01 >> 1462336505.23656607 Calculate density matrix (179.35275s) started
T01 << 1462336506.72675109 Calculate density matrix (180.84294s) stopped
T01 >> 1462336506.72682190 Construct density (20.18253s) started
T01 << 1462336506.89431310 Construct density (20.35002s) stopped
T01 >> 1462336506.89545989 Symmetrize density (0.00508s) started
T01 << 1462336506.89548993 Symmetrize density (0.00511s) stopped
T01 << 1462336506.89584994 Pseudo density (201.51919s) stopped
T01 >> 1462336506.89586902 Atomic density matrices (28.43240s) started
T01 << 1462336507.13231111 Atomic density matrices (28.66884s) stopped
T01 >> 1462336507.13234305 Multipole moments (0.42567s) started
T01 << 1462336507.13624191 Multipole moments (0.42956s) stopped
T01 >> 1462336507.13626289 Normalize (0.12435s) started
T01 << 1462336507.13723397 Normalize (0.12532s) stopped
T01 >> 1462336507.13726807 Mix (14.03246s) started
T01 << 1462336507.25324512 Mix (14.14843s) stopped
T01 << 1462336507.25333309 Density (244.89918s) stopped
T01 >> 1462336507.25343204 Hamiltonian (2788.48354s) started
T01 >> 1462336507.25345111 vbar (1.37576s) started
T01 << 1462336507.26578212 vbar (1.38809s) stopped
T01 >> 1462336507.26586390 XC 3D grid (1211.48846s) started
T01 >> 1462336507.44406605 van der Waals (1168.95776s) started
T01 >> 1462336507.48615909 semilocal (267.21797s) started
T01 << 1462336509.72363091 semilocal (269.45544s) stopped
T01 >> 1462336509.75253701 redistribute (133.55869s) started
T01 << 1462336510.13493395 redistribute (133.94108s) stopped
T01 >> 1462336510.13498592 libvdwxc nonlocal (759.28716s) started
T01 << 1462336516.43002510 libvdwxc nonlocal (765.58220s) stopped
T01 >> 1462336516.43010712 redistribute (133.94112s) started
T01 << 1462336517.16352510 redistribute (134.67453s) stopped
T01 << 1462336517.16464090 van der Waals (1178.67834s) stopped
T01 << 1462336517.34498501 XC 3D grid (1221.56758s) stopped
T01 >> 1462336517.34504199 Poisson (275.85776s) started
T01 << 1462336519.06286812 Poisson (277.57559s) stopped
T01 >> 1462336519.06295204 Hartree integrate/restrict (9.58654s) started
T01 << 1462336519.07817101 Hartree integrate/restrict (9.60176s) stopped
T01 >> 1462336519.07831502 Hartree integrate/restrict (9.60186s) started
T01 << 1462336519.14121795 Hartree integrate/restrict (9.66476s) stopped
T01 >> 1462336519.16647911 Atomic (746.60627s) started
T01 >> 1462336519.17624807 XC Correction (745.11855s) started
T01 << 1462336525.41574907 XC Correction (751.35805s) stopped
T01 << 1462336525.41880393 Atomic (752.85860s) stopped
T01 >> 1462336525.41891789 Communicate (540.95261s) started
T01 << 1462336530.53780198 Communicate (546.07149s) stopped
T01 << 1462336530.53782511 Hamiltonian (2811.76793s) stopped
T01 >> 1462336530.53790498 LCAO eigensolver (1009.95573s) started
T01 >> 1462336530.53791904 Potential matrix (31.84023s) started
T01 << 1462336530.79096794 Potential matrix (32.09327s) stopped
T01 >> 1462336530.79102993 DistributedAtomicCorrection (170.01405s) started
T01 << 1462336532.14595103 DistributedAtomicCorrection (171.36897s) stopped
T01 >> 1462336532.14601994 Distribute overlap matrix (140.67601s) started
T01 >> 1462336532.14604092 blocked summation (133.22271s) started
T01 << 1462336533.22173500 blocked summation (134.29840s) stopped
T01 >> 1462336533.22256899 Scalapack redistribute (7.25374s) started
T01 << 1462336533.28236699 Scalapack redistribute (7.31353s) stopped
T01 << 1462336533.28243589 Distribute overlap matrix (141.81242s) stopped
T01 >> 1462336533.28302312 Blacs Orbital Layouts (345.42086s) started
T01 >> 1462336533.28359294 General diagonalize (338.61818s) started
T01 << 1462336535.93660998 General diagonalize (341.27120s) stopped
T01 >> 1462336535.93666291 Redistribute coefs (0.35595s) started
T01 << 1462336535.93986797 Redistribute coefs (0.35916s) stopped
T01 >> 1462336535.93990588 Send coefs to domains (6.25270s) started
T01 << 1462336535.98804808 Send coefs to domains (6.30084s) stopped
T01 << 1462336535.98809600 Blacs Orbital Layouts (348.12593s) stopped
T01 >> 1462336535.98813391 Calculate projections (321.89439s) started
T01 << 1462336538.53073096 Calculate projections (324.43699s) stopped
T01 << 1462336538.53079700 LCAO eigensolver (1017.94863s) stopped
T01 >> 1462336538.53148890 Density (244.89919s) started
T01 >> 1462336538.53150010 Pseudo density (201.51920s) started
T01 >> 1462336538.53189111 Calculate density matrix (180.84297s) started
T01 << 1462336540.03562188 Calculate density matrix (182.34670s) stopped
T01 >> 1462336540.03569102 Construct density (20.35006s) started
T01 << 1462336540.20359111 Construct density (20.51796s) stopped
T01 >> 1462336540.20469904 Symmetrize density (0.00512s) started
T01 << 1462336540.20472908 Symmetrize density (0.00515s) stopped
T01 << 1462336540.20507908 Pseudo density (203.19278s) stopped
T01 >> 1462336540.20509791 Atomic density matrices (28.66886s) started
T01 << 1462336540.44158697 Atomic density matrices (28.90535s) stopped
T01 >> 1462336540.44162512 Multipole moments (0.42958s) started
T01 << 1462336540.44550204 Multipole moments (0.43346s) stopped
T01 >> 1462336540.44552398 Normalize (0.12534s) started
T01 << 1462336540.44650292 Normalize (0.12632s) stopped
T01 >> 1462336540.44654012 Mix (14.14852s) started
T01 << 1462336540.56172705 Mix (14.26371s) stopped
T01 << 1462336540.56180811 Density (246.92951s) stopped
T01 >> 1462336540.56192088 Hamiltonian (2811.76797s) started
T01 >> 1462336540.56194091 vbar (1.38814s) started
T01 << 1462336540.57427192 vbar (1.40047s) stopped
T01 >> 1462336540.57435608 XC 3D grid (1221.56762s) started
T01 >> 1462336540.75383091 van der Waals (1178.67838s) started
T01 >> 1462336540.79597306 semilocal (269.45550s) started
T01 << 1462336543.04590511 semilocal (271.70543s) stopped
T01 >> 1462336543.07592797 redistribute (134.67457s) started
T01 << 1462336543.44336605 redistribute (135.04201s) stopped
T01 >> 1462336543.44341707 libvdwxc nonlocal (765.58225s) started
T01 << 1462336549.77272201 libvdwxc nonlocal (771.91155s) stopped
T01 >> 1462336549.77280092 redistribute (135.04204s) started
T01 << 1462336550.49314904 redistribute (135.76239s) stopped
T01 << 1462336550.49428010 van der Waals (1188.41883s) stopped
T01 << 1462336550.67445803 XC 3D grid (1231.66773s) stopped
T01 >> 1462336550.67450094 Poisson (277.57566s) started
T01 << 1462336552.39468408 Poisson (279.29584s) stopped
T01 >> 1462336552.39474893 Hartree integrate/restrict (9.66481s) started
T01 << 1462336552.41004205 Hartree integrate/restrict (9.68010s) stopped
T01 >> 1462336552.41008401 Hartree integrate/restrict (9.68013s) started
T01 << 1462336552.47304702 Hartree integrate/restrict (9.74309s) stopped
T01 >> 1462336552.49429297 Atomic (752.85861s) started
T01 >> 1462336552.50404191 XC Correction (751.35807s) started
T01 << 1462336558.74143195 XC Correction (757.59546s) stopped
T01 << 1462336558.74449611 Atomic (759.10882s) stopped
T01 >> 1462336558.74461293 Communicate (546.07151s) started
T01 << 1462336563.85024905 Communicate (551.17714s) stopped
T01 << 1462336563.85027194 Hamiltonian (2835.05632s) stopped
T01 >> 1462336563.85033202 LCAO eigensolver (1017.94864s) started
T01 >> 1462336563.85034490 Potential matrix (32.09331s) started
T01 << 1462336564.10368800 Potential matrix (32.34665s) stopped
T01 >> 1462336564.10374999 DistributedAtomicCorrection (171.36900s) started
T01 << 1462336565.43509793 DistributedAtomicCorrection (172.70035s) stopped
T01 >> 1462336565.43516493 Distribute overlap matrix (141.81243s) started
T01 >> 1462336565.43518591 blocked summation (134.29844s) started
T01 << 1462336566.52999711 blocked summation (135.39325s) stopped
T01 >> 1462336566.53084207 Scalapack redistribute (7.31357s) started
T01 << 1462336566.59149599 Scalapack redistribute (7.37422s) stopped
T01 << 1462336566.59156394 Distribute overlap matrix (142.96883s) stopped
T01 >> 1462336566.59213591 Blacs Orbital Layouts (348.12594s) started
T01 >> 1462336566.59340906 General diagonalize (341.27123s) started
T01 << 1462336569.25578809 General diagonalize (343.93361s) stopped
T01 >> 1462336569.25584102 Redistribute coefs (0.35919s) started
T01 << 1462336569.25900602 Redistribute coefs (0.36235s) stopped
T01 >> 1462336569.25904298 Send coefs to domains (6.30088s) started
T01 << 1462336569.30764508 Send coefs to domains (6.34948s) stopped
T01 << 1462336569.30789995 Blacs Orbital Layouts (350.84170s) stopped
T01 >> 1462336569.30794191 Calculate projections (324.43703s) started
T01 << 1462336571.85103798 Calculate projections (326.98013s) stopped
T01 << 1462336571.85110307 LCAO eigensolver (1025.94941s) stopped
T01 >> 1462336571.85177994 Density (246.92953s) started
T01 >> 1462336571.85179210 Pseudo density (203.19280s) started
T01 >> 1462336571.85218191 Calculate density matrix (182.34674s) started
T01 << 1462336573.35865402 Calculate density matrix (183.85321s) stopped
T01 >> 1462336573.35872293 Construct density (20.51799s) started
T01 << 1462336573.52613497 Construct density (20.68541s) stopped
T01 >> 1462336573.52726889 Symmetrize density (0.00516s) started
T01 << 1462336573.52729797 Symmetrize density (0.00519s) stopped
T01 << 1462336573.52765608 Pseudo density (204.86866s) stopped
T01 >> 1462336573.52767491 Atomic density matrices (28.90538s) started
T01 << 1462336573.76195598 Atomic density matrices (29.13966s) stopped
T01 >> 1462336573.76198912 Multipole moments (0.43347s) started
T01 << 1462336573.76590204 Multipole moments (0.43738s) stopped
T01 >> 1462336573.76592398 Normalize (0.12635s) started
T01 << 1462336573.76689410 Normalize (0.12732s) stopped
T01 >> 1462336573.76693106 Mix (14.26378s) started
T01 << 1462336573.88302708 Mix (14.37988s) stopped
T01 << 1462336573.88311791 Density (248.96087s) stopped
T01 >> 1462336573.88322210 Hamiltonian (2835.05633s) started
T01 >> 1462336573.88324094 vbar (1.40052s) started
T01 << 1462336573.89564395 vbar (1.41292s) stopped
T01 >> 1462336573.89571810 XC 3D grid (1231.66776s) started
T01 >> 1462336574.07394004 van der Waals (1188.41887s) started
T01 >> 1462336574.11598206 semilocal (271.70549s) started
T01 << 1462336576.35399795 semilocal (273.94351s) stopped
T01 >> 1462336576.38310194 redistribute (135.76242s) started
T01 << 1462336576.75862503 redistribute (136.13795s) stopped
T01 >> 1462336576.75867891 libvdwxc nonlocal (771.91160s) started
T01 << 1462336583.07917500 libvdwxc nonlocal (778.23210s) stopped
T01 >> 1462336583.07925391 redistribute (136.13798s) started
T01 << 1462336583.81221294 redistribute (136.87094s) stopped
T01 << 1462336583.81347394 van der Waals (1198.15840s) stopped
T01 << 1462336583.99472594 XC 3D grid (1241.76677s) stopped
T01 >> 1462336583.99476695 Poisson (279.29588s) started
T01 << 1462336585.71488404 Poisson (281.01600s) stopped
T01 >> 1462336585.71492910 Hartree integrate/restrict (9.74312s) started
T01 << 1462336585.73035407 Hartree integrate/restrict (9.75854s) stopped
T01 >> 1462336585.73041606 Hartree integrate/restrict (9.75859s) started
T01 << 1462336585.79387808 Hartree integrate/restrict (9.82205s) stopped
T01 >> 1462336585.81553602 Atomic (759.10883s) started
T01 >> 1462336585.82518196 XC Correction (757.59548s) started
T01 << 1462336592.04609895 XC Correction (763.81640s) stopped
T01 << 1462336592.04911089 Atomic (765.34241s) stopped
T01 >> 1462336592.04922509 Communicate (551.17716s) started
T01 << 1462336597.23045611 Communicate (556.35839s) stopped
T01 << 1462336597.23048401 Hamiltonian (2858.40359s) stopped
T01 >> 1462336597.23055100 LCAO eigensolver (1025.94942s) started
T01 >> 1462336597.23056507 Potential matrix (32.34669s) started
T01 << 1462336597.48267889 Potential matrix (32.59880s) stopped
T01 >> 1462336597.48274207 DistributedAtomicCorrection (172.70038s) started
T01 << 1462336598.82230806 DistributedAtomicCorrection (174.03995s) stopped
T01 >> 1462336598.82237506 Distribute overlap matrix (142.96884s) started
T01 >> 1462336598.82239604 blocked summation (135.39329s) started
T01 << 1462336599.90951204 blocked summation (136.48041s) stopped
T01 >> 1462336599.91035604 Scalapack redistribute (7.37425s) started
T01 << 1462336599.97167397 Scalapack redistribute (7.43557s) stopped
T01 << 1462336599.97174191 Distribute overlap matrix (144.11821s) stopped
T01 >> 1462336599.97232294 Blacs Orbital Layouts (350.84172s) started
T01 >> 1462336599.97346306 General diagonalize (343.93364s) started
T01 << 1462336602.59686303 General diagonalize (346.55704s) stopped
T01 >> 1462336602.59691596 Redistribute coefs (0.36238s) started
T01 << 1462336602.60013199 Redistribute coefs (0.36560s) stopped
T01 >> 1462336602.60016990 Send coefs to domains (6.34952s) started
T01 << 1462336602.64868498 Send coefs to domains (6.39803s) stopped
T01 << 1462336602.64893603 Blacs Orbital Layouts (353.51833s) stopped
T01 >> 1462336602.64897799 Calculate projections (326.98018s) started
T01 << 1462336605.19211602 Calculate projections (329.52332s) stopped
T01 << 1462336605.19217896 LCAO eigensolver (1033.91105s) stopped
T01 >> 1462336605.19287395 Density (248.96088s) started
T01 >> 1462336605.19288611 Pseudo density (204.86867s) started
T01 >> 1462336605.19327688 Calculate density matrix (183.85324s) started
T01 << 1462336606.70091510 Calculate density matrix (185.36088s) stopped
T01 >> 1462336606.70098901 Construct density (20.68544s) started
T01 << 1462336606.86862707 Construct density (20.85308s) stopped
T01 >> 1462336606.86975598 Symmetrize density (0.00520s) started
T01 << 1462336606.86978602 Symmetrize density (0.00523s) stopped
T01 << 1462336606.87013793 Pseudo density (206.54593s) stopped
T01 >> 1462336606.87015700 Atomic density matrices (29.13968s) started
T01 << 1462336607.10615110 Atomic density matrices (29.37568s) stopped
T01 >> 1462336607.10618496 Multipole moments (0.43740s) started
T01 << 1462336607.11003208 Multipole moments (0.44125s) stopped
T01 >> 1462336607.11005402 Normalize (0.12735s) started
T01 << 1462336607.11103511 Normalize (0.12833s) stopped
T01 >> 1462336607.11106610 Mix (14.37997s) started
T01 << 1462336607.22509599 Mix (14.49399s) stopped
T01 << 1462336607.22517490 Density (250.99318s) stopped
T01 >> 1462336607.22528291 Hamiltonian (2858.40361s) started
T01 >> 1462336607.22530293 vbar (1.41296s) started
T01 << 1462336607.23801494 vbar (1.42567s) stopped
T01 >> 1462336607.23809290 XC 3D grid (1241.76680s) started
T01 >> 1462336607.41472197 van der Waals (1198.15846s) started
T01 >> 1462336607.45746207 semilocal (273.94356s) started
T01 << 1462336609.69334698 semilocal (276.17945s) stopped
T01 >> 1462336609.72337389 redistribute (136.87098s) started
T01 << 1462336610.10074496 redistribute (137.24835s) stopped
T01 >> 1462336610.10079694 libvdwxc nonlocal (778.23214s) started
T01 << 1462336616.39698291 libvdwxc nonlocal (784.52833s) stopped
T01 >> 1462336616.39703703 redistribute (137.24838s) started
T01 << 1462336617.12866592 redistribute (137.98001s) stopped
T01 << 1462336617.12984705 van der Waals (1207.87358s) stopped
T01 << 1462336617.30867410 XC 3D grid (1251.83738s) stopped
T01 >> 1462336617.30871511 Poisson (281.01604s) started
T01 << 1462336619.02303910 Poisson (282.73036s) stopped
T01 >> 1462336619.02308893 Hartree integrate/restrict (9.82207s) started
T01 << 1462336619.03845596 Hartree integrate/restrict (9.83744s) stopped
T01 >> 1462336619.03852510 Hartree integrate/restrict (9.83748s) started
T01 << 1462336619.10164809 Hartree integrate/restrict (9.90061s) stopped
T01 >> 1462336619.12707710 Atomic (765.34242s) started
T01 >> 1462336619.13672900 XC Correction (763.81642s) started
T01 << 1462336625.34770894 XC Correction (770.02740s) stopped
T01 << 1462336625.35073495 Atomic (771.56608s) stopped
T01 >> 1462336625.35084891 Communicate (556.35841s) started
T01 << 1462336630.45545506 Communicate (561.46302s) stopped
T01 << 1462336630.45547891 Hamiltonian (2881.63380s) stopped
T01 >> 1462336630.45553899 LCAO eigensolver (1033.91106s) started
T01 >> 1462336630.45555305 Potential matrix (32.59884s) started
T01 << 1462336630.70883989 Potential matrix (32.85212s) stopped
T01 >> 1462336630.70890188 DistributedAtomicCorrection (174.03998s) started
T01 << 1462336632.06452107 DistributedAtomicCorrection (175.39559s) stopped
T01 >> 1462336632.06459093 Distribute overlap matrix (144.11822s) started
T01 >> 1462336632.06461811 blocked summation (136.48044s) started
T01 << 1462336633.13295197 blocked summation (137.54878s) stopped
T01 >> 1462336633.13379502 Scalapack redistribute (7.43560s) started
T01 << 1462336633.19390011 Scalapack redistribute (7.49570s) stopped
T01 << 1462336633.19396901 Distribute overlap matrix (145.24760s) stopped
T01 >> 1462336633.19454694 Blacs Orbital Layouts (353.51835s) started
T01 >> 1462336633.19580293 General diagonalize (346.55708s) started
T01 << 1462336635.84069705 General diagonalize (349.20197s) stopped
T01 >> 1462336635.84074998 Redistribute coefs (0.36563s) started
T01 << 1462336635.84399199 Redistribute coefs (0.36887s) stopped
T01 >> 1462336635.84402895 Send coefs to domains (6.39807s) started
T01 << 1462336635.89244390 Send coefs to domains (6.44649s) stopped
T01 << 1462336635.89269996 Blacs Orbital Layouts (356.21650s) stopped
T01 >> 1462336635.89273906 Calculate projections (329.52336s) started
T01 << 1462336638.43577099 Calculate projections (332.06639s) stopped
T01 << 1462336638.43583608 LCAO eigensolver (1041.89136s) stopped
T01 >> 1462336638.43651009 Density (250.99320s) started
T01 >> 1462336638.43652201 Pseudo density (206.54594s) started
T01 >> 1462336638.43691897 Calculate density matrix (185.36092s) started
T01 << 1462336639.94865203 Calculate density matrix (186.87265s) stopped
T01 >> 1462336639.94872308 Construct density (20.85311s) started
T01 << 1462336640.11670399 Construct density (21.02109s) stopped
T01 >> 1462336640.11783791 Symmetrize density (0.00524s) started
T01 << 1462336640.11786795 Symmetrize density (0.00527s) stopped
T01 << 1462336640.11821699 Pseudo density (208.22764s) stopped
T01 >> 1462336640.11823702 Atomic density matrices (29.37570s) started
T01 << 1462336640.35419512 Atomic density matrices (29.61166s) stopped
T01 >> 1462336640.35422802 Multipole moments (0.44126s) started
T01 << 1462336640.35802197 Multipole moments (0.44505s) stopped
T01 >> 1462336640.35804391 Normalize (0.12835s) started
T01 << 1462336640.35901403 Normalize (0.12932s) stopped
T01 >> 1462336640.35904789 Mix (14.49407s) started
T01 << 1462336640.47458291 Mix (14.60961s) stopped
T01 << 1462336640.47468901 Density (253.03138s) stopped
T01 >> 1462336640.47479200 Hamiltonian (2881.63382s) started
T01 >> 1462336640.47481108 vbar (1.42572s) started
T01 << 1462336640.48711395 vbar (1.43802s) stopped
T01 >> 1462336640.48719597 XC 3D grid (1251.83741s) started
T01 >> 1462336640.66550803 van der Waals (1207.87363s) started
T01 >> 1462336640.70818806 semilocal (276.17949s) started
T01 << 1462336642.95190001 semilocal (278.42320s) stopped
T01 >> 1462336642.98175311 redistribute (137.98006s) started
T01 << 1462336643.35354400 redistribute (138.35185s) stopped
T01 >> 1462336643.35359597 libvdwxc nonlocal (784.52836s) started
T01 << 1462336649.66423202 libvdwxc nonlocal (790.83900s) stopped
T01 >> 1462336649.66431594 redistribute (138.35188s) started
T01 << 1462336650.38244295 redistribute (139.07000s) stopped
T01 << 1462336650.38366508 van der Waals (1217.59178s) stopped
T01 << 1462336650.56202412 XC 3D grid (1261.91224s) stopped
T01 >> 1462336650.56206489 Poisson (282.73039s) started
T01 << 1462336652.27622199 Poisson (284.44455s) stopped
T01 >> 1462336652.27627611 Hartree integrate/restrict (9.90065s) started
T01 << 1462336652.29165006 Hartree integrate/restrict (9.91602s) stopped
T01 >> 1462336652.29169202 Hartree integrate/restrict (9.91605s) started
T01 << 1462336652.35484099 Hartree integrate/restrict (9.97920s) stopped
T01 >> 1462336652.37672305 Atomic (771.56610s) started
T01 >> 1462336652.38636994 XC Correction (770.02742s) started
T01 << 1462336658.59519005 XC Correction (776.23624s) stopped
T01 << 1462336658.59819293 Atomic (777.78757s) stopped
T01 >> 1462336658.59830904 Communicate (561.46303s) started
T01 << 1462336663.79754710 Communicate (566.66227s) stopped
T01 << 1462336663.79757094 Hamiltonian (2904.95660s) stopped
T01 >> 1462336663.79763508 LCAO eigensolver (1041.89137s) started
T01 >> 1462336663.79764891 Potential matrix (32.85216s) started
T01 << 1462336664.05184889 Potential matrix (33.10636s) stopped
T01 >> 1462336664.05191207 DistributedAtomicCorrection (175.39563s) started
T01 << 1462336665.38781500 DistributedAtomicCorrection (176.73153s) stopped
T01 >> 1462336665.38788199 Distribute overlap matrix (145.24761s) started
T01 >> 1462336665.38790298 blocked summation (137.54881s) started
T01 << 1462336666.49596000 blocked summation (138.65687s) stopped
T01 >> 1462336666.49681401 Scalapack redistribute (7.49574s) started
T01 << 1462336666.55517697 Scalapack redistribute (7.55410s) stopped
T01 << 1462336666.55524206 Distribute overlap matrix (146.41497s) stopped
T01 >> 1462336666.55582809 Blacs Orbital Layouts (356.21652s) started
T01 >> 1462336666.55697203 General diagonalize (349.20200s) started
T01 << 1462336669.23095202 General diagonalize (351.87598s) stopped
T01 >> 1462336669.23100591 Redistribute coefs (0.36890s) started
T01 << 1462336669.23422194 Redistribute coefs (0.37211s) stopped
T01 >> 1462336669.23426008 Send coefs to domains (6.44652s) started
T01 << 1462336669.28167510 Send coefs to domains (6.49394s) stopped
T01 << 1462336669.28193498 Blacs Orbital Layouts (358.94263s) stopped
T01 >> 1462336669.28197789 Calculate projections (332.06644s) started
T01 << 1462336671.82515597 Calculate projections (334.60962s) stopped
T01 << 1462336671.82522106 LCAO eigensolver (1049.91895s) stopped
T01 >> 1462336671.82588601 Density (253.03140s) started
T01 >> 1462336671.82589889 Pseudo density (208.22765s) started
T01 >> 1462336671.82628989 Calculate density matrix (186.87269s) started
T01 << 1462336673.33109808 Calculate density matrix (188.37749s) stopped
T01 >> 1462336673.33117390 Construct density (21.02112s) started
T01 << 1462336673.49868298 Construct density (21.18863s) stopped
T01 >> 1462336673.49982095 Symmetrize density (0.00528s) started
T01 << 1462336673.49985099 Symmetrize density (0.00531s) stopped
T01 << 1462336673.50020099 Pseudo density (209.90195s) stopped
T01 >> 1462336673.50022101 Atomic density matrices (29.61168s) started
T01 << 1462336673.73558307 Atomic density matrices (29.84704s) stopped
T01 >> 1462336673.73562002 Multipole moments (0.44507s) started
T01 << 1462336673.73947096 Multipole moments (0.44892s) stopped
T01 >> 1462336673.73949194 Normalize (0.12935s) started
T01 << 1462336673.74046397 Normalize (0.13032s) stopped
T01 >> 1462336673.74049902 Mix (14.60971s) started
T01 << 1462336673.85573411 Mix (14.72494s) stopped
T01 << 1462336673.85578990 Density (255.06130s) stopped
T01 >> 1462336673.85588098 Hamiltonian (2904.95661s) started
T01 >> 1462336673.85590196 vbar (1.43807s) started
T01 << 1462336673.86843109 vbar (1.45060s) stopped
T01 >> 1462336673.86851811 XC 3D grid (1261.91227s) started
T01 >> 1462336674.04081106 van der Waals (1217.59183s) started
T01 >> 1462336674.08373189 semilocal (278.42328s) started
T01 << 1462336676.33015800 semilocal (280.66971s) stopped
T01 >> 1462336676.36061907 redistribute (139.07004s) started
T01 << 1462336676.72897100 redistribute (139.43840s) stopped
T01 >> 1462336676.72901201 libvdwxc nonlocal (790.83905s) started
T01 << 1462336683.06028891 libvdwxc nonlocal (797.17032s) stopped
T01 >> 1462336683.06034994 redistribute (139.43843s) started
T01 << 1462336683.80450201 redistribute (140.18258s) stopped
T01 << 1462336683.80571604 van der Waals (1227.35673s) stopped
T01 << 1462336683.98480511 XC 3D grid (1272.02856s) stopped
T01 >> 1462336683.98484612 Poisson (284.44459s) started
T01 << 1462336685.71391511 Poisson (286.17366s) stopped
T01 >> 1462336685.71397209 Hartree integrate/restrict (9.97924s) started
T01 << 1462336685.72906208 Hartree integrate/restrict (9.99433s) stopped
T01 >> 1462336685.72913194 Hartree integrate/restrict (9.99437s) started
T01 << 1462336685.79254103 Hartree integrate/restrict (10.05778s) stopped
T01 >> 1462336685.81671691 Atomic (777.78758s) started
T01 >> 1462336685.82629299 XC Correction (776.23626s) started
T01 << 1462336692.03521705 XC Correction (782.44518s) stopped
T01 << 1462336692.03822398 Atomic (784.00909s) stopped
T01 >> 1462336692.03833699 Communicate (566.66229s) started
T01 << 1462336697.21133494 Communicate (571.83528s) stopped
T01 << 1462336697.21136093 Hamiltonian (2928.31209s) stopped
T01 >> 1462336697.21142793 LCAO eigensolver (1049.91897s) started
T01 >> 1462336697.21144104 Potential matrix (33.10639s) started
T01 << 1462336697.46670294 Potential matrix (33.36165s) stopped
T01 >> 1462336697.46676612 DistributedAtomicCorrection (176.73156s) started
T01 << 1462336698.79407096 DistributedAtomicCorrection (178.05887s) stopped
T01 >> 1462336698.79413795 Distribute overlap matrix (146.41498s) started
T01 >> 1462336698.79415989 blocked summation (138.65691s) started
T01 << 1462336699.90061688 blocked summation (139.76336s) stopped
T01 >> 1462336699.90215397 Scalapack redistribute (7.55413s) started
T01 << 1462336699.96061397 Scalapack redistribute (7.61259s) stopped
T01 << 1462336699.96068311 Distribute overlap matrix (147.58153s) stopped
T01 >> 1462336699.96125388 Blacs Orbital Layouts (358.94265s) started
T01 >> 1462336699.96249008 General diagonalize (351.87601s) started
T01 << 1462336702.60354090 General diagonalize (354.51706s) stopped
T01 >> 1462336702.60359311 Redistribute coefs (0.37214s) started
T01 << 1462336702.60589600 Redistribute coefs (0.37445s) stopped
T01 >> 1462336702.60596299 Send coefs to domains (6.49397s) started
T01 << 1462336702.65430188 Send coefs to domains (6.54231s) stopped
T01 << 1462336702.65455604 Blacs Orbital Layouts (361.63595s) stopped
T01 >> 1462336702.65461397 Calculate projections (334.60966s) started
T01 << 1462336705.19821310 Calculate projections (337.15326s) stopped
T01 << 1462336705.19847107 LCAO eigensolver (1057.90601s) stopped
T01 >> 1462336705.19915009 Density (255.06132s) started
T01 >> 1462336705.19916201 Pseudo density (209.90197s) started
T01 >> 1462336705.19955802 Calculate density matrix (188.37753s) started
T01 << 1462336706.70593095 Calculate density matrix (189.88390s) stopped
T01 >> 1462336706.70599794 Construct density (21.18867s) started
T01 << 1462336706.87343502 Construct density (21.35610s) stopped
T01 >> 1462336706.87456298 Symmetrize density (0.00532s) started
T01 << 1462336706.87459302 Symmetrize density (0.00535s) stopped
T01 << 1462336706.87494493 Pseudo density (211.57775s) stopped
T01 >> 1462336706.87496400 Atomic density matrices (29.84707s) started
T01 << 1462336707.11116409 Atomic density matrices (30.08327s) stopped
T01 >> 1462336707.11119795 Multipole moments (0.44893s) started
T01 << 1462336707.11505699 Multipole moments (0.45279s) stopped
T01 >> 1462336707.11507893 Normalize (0.13035s) started
T01 << 1462336707.11604691 Normalize (0.13131s) stopped
T01 >> 1462336707.11608005 Mix (14.72500s) started
T01 << 1462336707.23237991 Mix (14.84130s) stopped
T01 << 1462336707.23247695 Density (257.09464s) stopped
T01 >> 1462336707.23257804 Hamiltonian (2928.31210s) started
T01 >> 1462336707.23259711 vbar (1.45065s) started
T01 << 1462336707.24474907 vbar (1.46280s) stopped
T01 >> 1462336707.24484801 XC 3D grid (1272.02859s) started
T01 >> 1462336707.42086792 van der Waals (1227.35677s) started
T01 >> 1462336707.46393895 semilocal (280.66976s) started
T01 << 1462336709.70518899 semilocal (282.91101s) stopped
T01 >> 1462336709.73474789 redistribute (140.18261s) started
T01 << 1462336710.10912991 redistribute (140.55700s) stopped
T01 >> 1462336710.10918093 libvdwxc nonlocal (797.17036s) started
T01 << 1462336716.49564695 libvdwxc nonlocal (803.55682s) stopped
T01 >> 1462336716.49571991 redistribute (140.55703s) started
T01 << 1462336717.23261189 redistribute (141.29392s) stopped
T01 << 1462336717.23386097 van der Waals (1237.16976s) stopped
T01 << 1462336717.41230392 XC 3D grid (1282.19604s) stopped
T01 >> 1462336717.41236091 Poisson (286.17370s) started
T01 << 1462336719.14223099 Poisson (287.90357s) stopped
T01 >> 1462336719.14230704 Hartree integrate/restrict (10.05782s) started
T01 << 1462336719.15751791 Hartree integrate/restrict (10.07303s) stopped
T01 >> 1462336719.15766692 Hartree integrate/restrict (10.07314s) started
T01 << 1462336719.22068191 Hartree integrate/restrict (10.13615s) stopped
T01 >> 1462336719.24373698 Atomic (784.00911s) started
T01 >> 1462336719.25338793 XC Correction (782.44520s) started
T01 << 1462336725.46844292 XC Correction (788.66026s) stopped
T01 << 1462336725.47144794 Atomic (790.23682s) stopped
T01 >> 1462336725.47156191 Communicate (571.83530s) started
T01 << 1462336730.63933110 Communicate (577.00307s) stopped
T01 << 1462336730.63935399 Hamiltonian (2951.71888s) stopped
T01 >> 1462336730.63941503 LCAO eigensolver (1057.90603s) started
T01 >> 1462336730.63942790 Potential matrix (33.36169s) started
T01 << 1462336730.89371109 Potential matrix (33.61597s) stopped
T01 >> 1462336730.89377594 DistributedAtomicCorrection (178.05890s) started
T01 << 1462336732.23512006 DistributedAtomicCorrection (179.40024s) stopped
T01 >> 1462336732.23518801 Distribute overlap matrix (147.58154s) started
T01 >> 1462336732.23520899 blocked summation (139.76340s) started
T01 << 1462336733.32110000 blocked summation (140.84929s) stopped
T01 >> 1462336733.32194591 Scalapack redistribute (7.61262s) started
T01 << 1462336733.38268709 Scalapack redistribute (7.67336s) stopped
T01 << 1462336733.38275504 Distribute overlap matrix (148.72911s) stopped
T01 >> 1462336733.38333511 Blacs Orbital Layouts (361.63597s) started
T01 >> 1462336733.38446903 General diagonalize (354.51710s) started
T01 << 1462336736.01610589 General diagonalize (357.14873s) stopped
T01 >> 1462336736.01616001 Redistribute coefs (0.37448s) started
T01 << 1462336736.01939201 Redistribute coefs (0.37771s) stopped
T01 >> 1462336736.01942992 Send coefs to domains (6.54234s) started
T01 << 1462336736.06780100 Send coefs to domains (6.59071s) stopped
T01 << 1462336736.06805491 Blacs Orbital Layouts (364.32069s) stopped
T01 >> 1462336736.06809902 Calculate projections (337.15331s) started
T01 << 1462336738.61106110 Calculate projections (339.69627s) stopped
T01 << 1462336738.61112499 LCAO eigensolver (1065.87774s) stopped
T01 >> 1462336738.61181211 Density (257.09466s) started
T01 >> 1462336738.61182404 Pseudo density (211.57776s) started
T01 >> 1462336738.61221695 Calculate density matrix (189.88394s) started
T01 << 1462336740.11921191 Calculate density matrix (191.39093s) stopped
T01 >> 1462336740.11928201 Construct density (21.35614s) started
T01 << 1462336740.28747392 Construct density (21.52433s) stopped
T01 >> 1462336740.28859806 Symmetrize density (0.00536s) started
T01 << 1462336740.28863311 Symmetrize density (0.00540s) stopped
T01 << 1462336740.28898406 Pseudo density (213.25492s) stopped
T01 >> 1462336740.28900290 Atomic density matrices (30.08329s) started
T01 << 1462336740.52434301 Atomic density matrices (30.31863s) stopped
T01 >> 1462336740.52437711 Multipole moments (0.45281s) started
T01 << 1462336740.52825904 Multipole moments (0.45669s) stopped
T01 >> 1462336740.52828002 Normalize (0.13134s) started
T01 << 1462336740.52925801 Normalize (0.13232s) stopped
T01 >> 1462336740.52929401 Mix (14.84139s) started
T01 << 1462336740.64502096 Mix (14.95711s) stopped
T01 << 1462336740.64507508 Density (259.12792s) stopped
T01 >> 1462336740.64517403 Hamiltonian (2951.71889s) started
T01 >> 1462336740.64519501 vbar (1.46288s) started
T01 << 1462336740.65756297 vbar (1.47524s) stopped
T01 >> 1462336740.65765190 XC 3D grid (1282.19609s) started
T01 >> 1462336740.83359408 van der Waals (1237.16981s) started
T01 >> 1462336740.87693095 semilocal (282.91107s) started
T01 << 1462336743.12549210 semilocal (285.15963s) stopped
T01 >> 1462336743.15452194 redistribute (141.29395s) started
T01 << 1462336743.51781297 redistribute (141.65724s) stopped
T01 >> 1462336743.51786590 libvdwxc nonlocal (803.55687s) started
T01 << 1462336749.85065508 libvdwxc nonlocal (809.88966s) stopped
T01 >> 1462336749.85073304 redistribute (141.65727s) started
T01 << 1462336750.57200694 redistribute (142.37855s) stopped
T01 << 1462336750.57333493 van der Waals (1246.90955s) stopped
T01 << 1462336750.75079608 XC 3D grid (1292.28923s) stopped
T01 >> 1462336750.75083590 Poisson (287.90363s) started
T01 << 1462336752.47457910 Poisson (289.62737s) stopped
T01 >> 1462336752.47465801 Hartree integrate/restrict (10.13618s) started
T01 << 1462336752.48991609 Hartree integrate/restrict (10.15144s) stopped
T01 >> 1462336752.48996592 Hartree integrate/restrict (10.15147s) started
T01 << 1462336752.55374599 Hartree integrate/restrict (10.21525s) stopped
T01 >> 1462336752.57356596 Atomic (790.23683s) started
T01 >> 1462336752.58341098 XC Correction (788.66028s) started
T01 << 1462336758.81467199 XC Correction (794.89154s) stopped
T01 << 1462336758.81769490 Atomic (796.48096s) stopped
T01 >> 1462336758.81780696 Communicate (577.00309s) started
T01 << 1462336764.00830698 Communicate (582.19359s) stopped
T01 << 1462336764.00833106 Hamiltonian (2975.08205s) stopped
T01 >> 1462336764.00839901 LCAO eigensolver (1065.87775s) started
T01 >> 1462336764.00841188 Potential matrix (33.61601s) started
T01 << 1462336764.26134896 Potential matrix (33.86894s) stopped
T01 >> 1462336764.26141596 DistributedAtomicCorrection (179.40027s) started
T01 << 1462336765.59230995 DistributedAtomicCorrection (180.73117s) stopped
T01 >> 1462336765.59237599 Distribute overlap matrix (148.72912s) started
T01 >> 1462336765.59239697 blocked summation (140.84933s) started
T01 << 1462336766.68822694 blocked summation (141.94516s) stopped
T01 >> 1462336766.68904996 Scalapack redistribute (7.67340s) started
T01 << 1462336766.74855399 Scalapack redistribute (7.73290s) stopped
T01 << 1462336766.74862504 Distribute overlap matrix (149.88537s) stopped
T01 >> 1462336766.74920607 Blacs Orbital Layouts (364.32070s) started
T01 >> 1462336766.75049996 General diagonalize (357.14877s) started
T01 << 1462336769.39069700 General diagonalize (359.78896s) stopped
T01 >> 1462336769.39074993 Redistribute coefs (0.37774s) started
T01 << 1462336769.39392591 Redistribute coefs (0.38091s) stopped
T01 >> 1462336769.39396191 Send coefs to domains (6.59075s) started
T01 << 1462336769.44261408 Send coefs to domains (6.63940s) stopped
T01 << 1462336769.44287205 Blacs Orbital Layouts (367.01437s) stopped
T01 >> 1462336769.44291091 Calculate projections (339.69632s) started
T01 << 1462336771.98637509 Calculate projections (342.23978s) stopped
T01 << 1462336771.98643994 LCAO eigensolver (1073.85579s) stopped
T01 >> 1462336771.98710704 Density (259.12794s) started
T01 >> 1462336771.98711896 Pseudo density (213.25494s) started
T01 >> 1462336771.98749495 Calculate density matrix (191.39097s) started
T01 << 1462336773.49694896 Calculate density matrix (192.90042s) stopped
T01 >> 1462336773.49702001 Construct density (21.52436s) started
T01 << 1462336773.66443610 Construct density (21.69178s) stopped
T01 >> 1462336773.66557407 Symmetrize density (0.00541s) started
T01 << 1462336773.66560698 Symmetrize density (0.00544s) stopped
T01 << 1462336773.66595888 Pseudo density (214.93378s) stopped
T01 >> 1462336773.66597891 Atomic density matrices (30.31865s) started
T01 << 1462336773.90247798 Atomic density matrices (30.55515s) stopped
T01 >> 1462336773.90253305 Multipole moments (0.45671s) started
T01 << 1462336773.90637493 Multipole moments (0.46055s) stopped
T01 >> 1462336773.90639710 Normalize (0.13234s) started
T01 << 1462336773.90737605 Normalize (0.13332s) stopped
T01 >> 1462336773.90740705 Mix (14.95717s) started
T01 << 1462336774.02335405 Mix (15.07311s) stopped
T01 << 1462336774.02345395 Density (261.16428s) stopped
T01 >> 1462336774.02355909 Hamiltonian (2975.08206s) started
T01 >> 1462336774.02357793 vbar (1.47530s) started
T01 << 1462336774.03587294 vbar (1.48759s) stopped
T01 >> 1462336774.03596306 XC 3D grid (1292.28926s) started
T01 >> 1462336774.21338296 van der Waals (1246.90959s) started
T01 >> 1462336774.25582695 semilocal (285.15967s) started
T01 << 1462336776.49278212 semilocal (287.39662s) stopped
T01 >> 1462336776.52263093 redistribute (142.37858s) started
T01 << 1462336776.89311790 redistribute (142.74907s) stopped
T01 >> 1462336776.89316893 libvdwxc nonlocal (809.88970s) started
T01 << 1462336783.18904209 libvdwxc nonlocal (816.18557s) stopped
T01 >> 1462336783.18912196 redistribute (142.74910s) started
T01 << 1462336783.92331004 redistribute (143.48329s) stopped
T01 << 1462336783.92470098 van der Waals (1256.62090s) stopped
T01 << 1462336784.10567689 XC 3D grid (1302.35898s) stopped
T01 >> 1462336784.10571790 Poisson (289.62744s) started
T01 << 1462336785.82531595 Poisson (291.34703s) stopped
T01 >> 1462336785.82537889 Hartree integrate/restrict (10.21528s) started
T01 << 1462336785.84065509 Hartree integrate/restrict (10.23056s) stopped
T01 >> 1462336785.84074306 Hartree integrate/restrict (10.23062s) started
T01 << 1462336785.90388203 Hartree integrate/restrict (10.29376s) stopped
T01 >> 1462336785.92841196 Atomic (796.48098s) started
T01 >> 1462336785.93807006 XC Correction (794.89156s) started
T01 << 1462336792.17879200 XC Correction (801.13228s) stopped
T01 << 1462336792.18180704 Atomic (802.73438s) stopped
T01 >> 1462336792.18191910 Communicate (582.19360s) started
T01 << 1462336797.31720996 Communicate (587.32889s) stopped
T01 << 1462336797.31723499 Hamiltonian (2998.37573s) stopped
T01 >> 1462336797.31730103 LCAO eigensolver (1073.85580s) started
T01 >> 1462336797.31731391 Potential matrix (33.86898s) started
T01 << 1462336797.57227111 Potential matrix (34.12394s) stopped
T01 >> 1462336797.57233405 DistributedAtomicCorrection (180.73120s) started
T01 << 1462336798.91417003 DistributedAtomicCorrection (182.07303s) stopped
T01 >> 1462336798.91423702 Distribute overlap matrix (149.88538s) started
T01 >> 1462336798.91425896 blocked summation (141.94520s) started
T01 << 1462336799.99784803 blocked summation (143.02878s) stopped
T01 >> 1462336799.99872899 Scalapack redistribute (7.73293s) started
T01 << 1462336800.05739999 Scalapack redistribute (7.79160s) stopped
T01 << 1462336800.05746603 Distribute overlap matrix (151.02861s) stopped
T01 >> 1462336800.05804205 Blacs Orbital Layouts (367.01439s) started
T01 >> 1462336800.05922699 General diagonalize (359.78899s) started
T01 << 1462336802.68494701 General diagonalize (362.41471s) stopped
T01 >> 1462336802.68499994 Redistribute coefs (0.38094s) started
T01 << 1462336802.68813801 Redistribute coefs (0.38408s) stopped
T01 >> 1462336802.68817496 Send coefs to domains (6.63943s) started
T01 << 1462336802.73615289 Send coefs to domains (6.68741s) stopped
T01 << 1462336802.73640394 Blacs Orbital Layouts (369.69275s) stopped
T01 >> 1462336802.73644900 Calculate projections (342.23983s) started
T01 << 1462336805.27962899 Calculate projections (344.78301s) stopped
T01 << 1462336805.27969503 LCAO eigensolver (1081.81820s) stopped
T01 << 1462336805.28037310 SCF-cycle (4341.46485s) stopped
T01 >> 1462336806.11021709 Force calculation (114.84634s) started
T01 >> 1462336806.11026812 LCAO forces (73.53996s) started
T01 >> 1462336806.11060500 Initial (0.00009s) started
T01 << 1462336806.11061597 Initial (0.00010s) stopped
T01 >> 1462336806.11507297 Get density matrix (13.96944s) started
T01 << 1462336806.69808197 Get density matrix (14.55245s) stopped
T01 >> 1462336806.69813299 Potential (5.35995s) started
T01 << 1462336808.04641891 Potential (6.70824s) stopped
T01 >> 1462336808.04647899 Get density matrix (14.55248s) started
T01 << 1462336810.97473907 Get density matrix (17.48074s) stopped
T01 >> 1462336810.97484708 Prepare TCI loop (7.55858s) started
T01 >> 1462336810.97526908 Get neighbors (6.35479s) started
T01 << 1462336812.61838102 Get neighbors (7.99790s) stopped
T01 >> 1462336812.61870098 broadcast dH (1.20110s) started
T01 << 1462336812.94181895 broadcast dH (1.52422s) stopped
T01 << 1462336812.94186091 Prepare TCI loop (9.52560s) stopped
T01 >> 1462336812.94187903 Not so complicated loop (10.18361s) started
T01 << 1462336815.48966599 Not so complicated loop (12.73140s) stopped
T01 >> 1462336815.58912611 Complicated loop (35.96638s) started
T01 << 1462336824.59229112 Complicated loop (44.96955s) stopped
T01 >> 1462336824.60085201 Wait for sum (0.00020s) started
T01 << 1462336824.60088897 Wait for sum (0.00023s) stopped
T01 << 1462336824.60090089 LCAO forces (92.03060s) stopped
T01 << 1462336835.06700897 Force calculation (143.80313s) stopped
T01 >> 1462336835.08432794 Initialization (246.98513s) started
T01 << 1462336835.08449006 Initialization (246.98529s) stopped
T01 >> 1462336835.08473802 Initialization (246.98531s) started
T01 << 1462336835.08486605 Initialization (246.98543s) stopped
T01 >> 1462336835.08499694 Initialization (246.98545s) started
T01 << 1462336835.08512211 Initialization (246.98557s) stopped
T01 >> 1462336855.48738694 Initialization (246.98559s) started
T01 >> 1462336855.48898411 Basic WFS set positions (0.44521s) started
T01 >> 1462336855.48900509 Redistribute (0.00735s) started
T01 << 1462336855.49396491 Redistribute (0.01231s) stopped
T01 << 1462336855.59320092 Basic WFS set positions (0.54942s) stopped
T01 >> 1462336855.59323096 Basis functions set positions (2.16870s) started
T01 << 1462336855.99967504 Basis functions set positions (2.57515s) stopped
T01 >> 1462336856.00085592 TCI: Calculate S, T, P (72.54959s) started
T01 << 1462336870.82292891 TCI: Calculate S, T, P (87.37166s) stopped
T01 >> 1462336870.82299900 blocked summation (19.06847s) started
T01 << 1462336874.89116502 blocked summation (23.13663s) stopped
T01 >> 1462336874.89191389 Scalapack redistribute (0.67076s) started
T01 << 1462336874.94909596 Scalapack redistribute (0.72794s) stopped
T01 >> 1462336874.94947600 blocked summation (23.13667s) started
T01 << 1462336875.12566400 blocked summation (23.31286s) stopped
T01 >> 1462336875.12642503 Scalapack redistribute (0.72799s) started
T01 << 1462336875.32988691 Scalapack redistribute (0.93146s) stopped
T01 >> 1462336875.33090091 Redistribute (0.00770s) started
T01 << 1462336875.33187890 Redistribute (0.00867s) stopped
T01 >> 1462336876.25203991 Redistribute (0.00869s) started
T01 << 1462336876.25301909 Redistribute (0.00967s) stopped
T01 >> 1462336876.26142907 LCAO WFS Initialize (145.38786s) started
T01 >> 1462336876.26145506 Density initialize from wavefunctions (4.76867s) started
T01 >> 1462336876.26183391 Calculate density matrix (2.78231s) started
T01 << 1462336876.94443893 Calculate density matrix (3.46492s) stopped
T01 >> 1462336876.94449210 Construct density (0.67192s) started
T01 << 1462336877.11220288 Construct density (0.83963s) stopped
T01 >> 1462336877.11352491 Symmetrize density (0.00016s) started
T01 << 1462336877.11355400 Symmetrize density (0.00019s) stopped
T01 << 1462336877.44418406 Density initialize from wavefunctions (5.95140s) stopped
T01 >> 1462336877.44483995 Hamiltonian (140.42207s) started
T01 >> 1462336877.44489408 vbar (0.06152s) started
T01 << 1462336877.45668888 vbar (0.07331s) stopped
T01 >> 1462336877.45680499 XC 3D grid (50.27468s) started
T01 >> 1462336877.62651396 van der Waals (48.50739s) started
T01 >> 1462336877.67035890 semilocal (11.14754s) started
T01 << 1462336879.90953898 semilocal (13.38672s) stopped
T01 >> 1462336879.93937612 redistribute (5.49426s) started
T01 << 1462336880.31050801 redistribute (5.86539s) stopped
T01 >> 1462336880.31054807 libvdwxc nonlocal (31.49865s) started
T01 << 1462336886.63136411 libvdwxc nonlocal (37.81947s) stopped
T01 >> 1462336886.63144112 redistribute (5.86542s) started
T01 << 1462336887.36742210 redistribute (6.60140s) stopped
T01 << 1462336887.36893606 van der Waals (58.24981s) stopped
T01 << 1462336887.54929399 XC 3D grid (60.36717s) stopped
T01 >> 1462336887.54933500 Poisson (25.67091s) started
T01 << 1462336892.11581492 Poisson (30.23739s) stopped
T01 >> 1462336892.11587310 Hartree integrate/restrict (0.39485s) started
T01 << 1462336892.13103700 Hartree integrate/restrict (0.41001s) stopped
T01 >> 1462336892.13109899 Hartree integrate/restrict (0.41005s) started
T01 << 1462336892.19414997 Hartree integrate/restrict (0.47310s) stopped
T01 >> 1462336892.21623397 Atomic (33.34765s) started
T01 >> 1462336892.22612810 XC Correction (33.28549s) started
T01 << 1462336898.94126892 XC Correction (40.00063s) stopped
T01 << 1462336898.94428897 Atomic (40.07571s) stopped
T01 >> 1462336898.94447303 Communicate (30.54283s) started
T01 << 1462336905.08051896 Communicate (36.67887s) stopped
T01 << 1462336905.08054399 Hamiltonian (168.05778s) stopped
T01 << 1462336905.08058500 LCAO WFS Initialize (174.20702s) stopped
T01 << 1462336905.09247398 Initialization (296.59068s) stopped
T01 >> 1462336905.11629796 SCF-cycle (4341.46486s) started
T01 >> 1462336905.11633110 LCAO eigensolver (1081.81821s) started
T01 >> 1462336905.11634398 Potential matrix (34.12397s) started
T01 << 1462336905.36962104 Potential matrix (34.37725s) stopped
T01 >> 1462336905.36969209 DistributedAtomicCorrection (182.07307s) started
T01 << 1462336906.66292691 DistributedAtomicCorrection (183.36630s) stopped
T01 >> 1462336906.66298509 Distribute overlap matrix (151.02862s) started
T01 >> 1462336906.66300511 blocked summation (143.02882s) started
T01 << 1462336907.79432201 blocked summation (144.16014s) stopped
T01 >> 1462336907.79522896 Scalapack redistribute (7.79163s) started
T01 << 1462336907.84435511 Scalapack redistribute (7.84076s) stopped
T01 << 1462336907.84442806 Distribute overlap matrix (152.21006s) stopped
T01 >> 1462336907.84501100 Blacs Orbital Layouts (369.69277s) started
T01 >> 1462336907.84559202 General diagonalize (362.41475s) started
T01 << 1462336910.46383500 General diagonalize (365.03299s) stopped
T01 >> 1462336910.46387601 Redistribute coefs (0.38411s) started
T01 << 1462336910.46615505 Redistribute coefs (0.38639s) stopped
T01 >> 1462336910.46619201 Send coefs to domains (6.68744s) started
T01 << 1462336910.51491308 Send coefs to domains (6.73616s) stopped
T01 << 1462336910.51495695 Blacs Orbital Layouts (372.36271s) stopped
T01 >> 1462336910.51497889 Calculate projections (344.78306s) started
T01 << 1462336913.03665709 Calculate projections (347.30474s) stopped
T01 << 1462336913.03672099 LCAO eigensolver (1089.73860s) stopped
T01 >> 1462336913.03732109 Density (261.16430s) started
T01 >> 1462336913.03733301 Pseudo density (214.93379s) started
T01 >> 1462336913.03768897 Calculate density matrix (192.90046s) started
T01 << 1462336914.55910206 Calculate density matrix (194.42187s) stopped
T01 >> 1462336914.55915594 Construct density (21.69181s) started
T01 << 1462336914.72755909 Construct density (21.86022s) stopped
T01 >> 1462336914.72869802 Symmetrize density (0.00545s) started
T01 << 1462336914.72872806 Symmetrize density (0.00548s) stopped
T01 << 1462336914.72909093 Pseudo density (216.62555s) stopped
T01 >> 1462336914.72911000 Atomic density matrices (30.55520s) started
T01 << 1462336914.96626592 Atomic density matrices (30.79235s) stopped
T01 >> 1462336914.96631098 Multipole moments (0.46056s) started
T01 << 1462336914.97012401 Multipole moments (0.46438s) stopped
T01 >> 1462336914.97014594 Normalize (0.13334s) started
T01 << 1462336914.97113609 Normalize (0.13433s) stopped
T01 >> 1462336914.97116899 Mix (15.07321s) started
T01 << 1462336915.07266688 Mix (15.17471s) stopped
T01 << 1462336915.07276607 Density (263.19975s) stopped
T01 >> 1462336915.07288194 Hamiltonian (2998.37575s) started
T01 >> 1462336915.07290196 vbar (1.48765s) started
T01 << 1462336915.08517909 vbar (1.49992s) stopped
T01 >> 1462336915.08528805 XC 3D grid (1302.35901s) started
T01 >> 1462336915.25763202 van der Waals (1256.62096s) started
T01 >> 1462336915.30167103 semilocal (287.39669s) started
T01 << 1462336917.54864693 semilocal (289.64367s) stopped
T01 >> 1462336917.57832098 redistribute (143.48333s) started
T01 << 1462336917.94916010 redistribute (143.85417s) stopped
T01 >> 1462336917.94921494 libvdwxc nonlocal (816.18562s) started
T01 << 1462336924.25639606 libvdwxc nonlocal (822.49280s) stopped
T01 >> 1462336924.25645089 redistribute (143.85420s) started
T01 << 1462336925.00319791 redistribute (144.60095s) stopped
T01 << 1462336925.00441408 van der Waals (1266.36775s) stopped
T01 << 1462336925.18081594 XC 3D grid (1312.45454s) stopped
T01 >> 1462336925.18086910 Poisson (291.34708s) started
T01 << 1462336927.47531605 Poisson (293.64153s) stopped
T01 >> 1462336927.47538710 Hartree integrate/restrict (10.29378s) started
T01 << 1462336927.49045110 Hartree integrate/restrict (10.30885s) stopped
T01 >> 1462336927.49051189 Hartree integrate/restrict (10.30889s) started
T01 << 1462336927.55483007 Hartree integrate/restrict (10.37321s) stopped
T01 >> 1462336927.57848001 Atomic (802.73439s) started
T01 >> 1462336927.58827305 XC Correction (801.13230s) started
T01 << 1462336934.34069800 XC Correction (807.88472s) stopped
T01 << 1462336934.34365296 Atomic (809.49956s) stopped
T01 >> 1462336934.34376907 Communicate (587.32891s) started
T01 << 1462336939.98536396 Communicate (592.97051s) stopped
T01 << 1462336939.98539209 Hamiltonian (3023.28826s) stopped
T01 >> 1462336939.98547006 LCAO eigensolver (1089.73861s) started
T01 >> 1462336939.98548293 Potential matrix (34.37729s) started
T01 << 1462336940.23852110 Potential matrix (34.63033s) stopped
T01 >> 1462336940.23858404 DistributedAtomicCorrection (183.36633s) started
T01 << 1462336941.54123902 DistributedAtomicCorrection (184.66899s) stopped
T01 >> 1462336941.54129696 Distribute overlap matrix (152.21008s) started
T01 >> 1462336941.54131794 blocked summation (144.16017s) started
T01 << 1462336942.66721511 blocked summation (145.28607s) stopped
T01 >> 1462336942.66811204 Scalapack redistribute (7.84079s) started
T01 << 1462336942.71828103 Scalapack redistribute (7.89096s) stopped
T01 << 1462336942.71835589 Distribute overlap matrix (153.38713s) stopped
T01 >> 1462336942.71894193 Blacs Orbital Layouts (372.36272s) started
T01 >> 1462336942.71951699 General diagonalize (365.03302s) started
T01 << 1462336945.33011508 General diagonalize (367.64362s) stopped
T01 >> 1462336945.33016610 Redistribute coefs (0.38642s) started
T01 << 1462336945.33234191 Redistribute coefs (0.38859s) stopped
T01 >> 1462336945.33241391 Send coefs to domains (6.73620s) started
T01 << 1462336945.38224912 Send coefs to domains (6.78603s) stopped
T01 << 1462336945.38228893 Blacs Orbital Layouts (375.02607s) stopped
T01 >> 1462336945.38233209 Calculate projections (347.30478s) started
T01 << 1462336947.90380502 Calculate projections (349.82626s) stopped
T01 << 1462336947.90386891 LCAO eigensolver (1097.65701s) stopped
T01 >> 1462336947.90447998 Density (263.19976s) started
T01 >> 1462336947.90449190 Pseudo density (216.62556s) started
T01 >> 1462336947.90485096 Calculate density matrix (194.42191s) started
T01 << 1462336949.42341995 Calculate density matrix (195.94048s) stopped
T01 >> 1462336949.42347097 Construct density (21.86025s) started
T01 << 1462336949.59118295 Construct density (22.02796s) stopped
T01 >> 1462336949.59231901 Symmetrize density (0.00550s) started
T01 << 1462336949.59234810 Symmetrize density (0.00552s) stopped
T01 << 1462336949.59271598 Pseudo density (218.31379s) stopped
T01 >> 1462336949.59273601 Atomic density matrices (30.79238s) started
T01 << 1462336949.83109093 Atomic density matrices (31.03073s) stopped
T01 >> 1462336949.83112407 Multipole moments (0.46439s) started
T01 << 1462336949.83493590 Multipole moments (0.46820s) stopped
T01 >> 1462336949.83495808 Normalize (0.13436s) started
T01 << 1462336949.83593297 Normalize (0.13533s) stopped
T01 >> 1462336949.83596897 Mix (15.17480s) started
T01 << 1462336949.94140697 Mix (15.28024s) stopped
T01 << 1462336949.94152308 Density (265.23681s) stopped
T01 >> 1462336949.94163704 Hamiltonian (3023.28827s) started
T01 >> 1462336949.94165611 vbar (1.49999s) started
T01 << 1462336949.95399809 vbar (1.51233s) stopped
T01 >> 1462336949.95409393 XC 3D grid (1312.45458s) started
T01 >> 1462336950.12716293 van der Waals (1266.36782s) started
T01 >> 1462336950.17091799 semilocal (289.64373s) started
T01 << 1462336952.42484498 semilocal (291.89765s) stopped
T01 >> 1462336952.45676398 redistribute (144.60099s) started
T01 << 1462336952.82679200 redistribute (144.97102s) stopped
T01 >> 1462336952.82684803 libvdwxc nonlocal (822.49285s) started
T01 << 1462336959.15377402 libvdwxc nonlocal (828.81977s) stopped
T01 >> 1462336959.15383697 redistribute (144.97105s) started
T01 << 1462336959.88518310 redistribute (145.70240s) stopped
T01 << 1462336959.88630009 van der Waals (1276.12696s) stopped
T01 << 1462336960.06523609 XC 3D grid (1322.56572s) stopped
T01 >> 1462336960.06527710 Poisson (293.64159s) started
T01 << 1462336962.36242604 Poisson (295.93874s) stopped
T01 >> 1462336962.36248302 Hartree integrate/restrict (10.37324s) started
T01 << 1462336962.37780690 Hartree integrate/restrict (10.38857s) stopped
T01 >> 1462336962.37785411 Hartree integrate/restrict (10.38860s) started
T01 << 1462336962.44154310 Hartree integrate/restrict (10.45229s) stopped
T01 >> 1462336962.46320200 Atomic (809.49958s) started
T01 >> 1462336962.47294688 XC Correction (807.88475s) started
T01 << 1462336968.92838311 XC Correction (814.34018s) stopped
T01 << 1462336968.93136597 Atomic (815.96775s) stopped
T01 >> 1462336968.93148208 Communicate (592.97053s) started
T01 << 1462336974.02826190 Communicate (598.06731s) stopped
T01 << 1462336974.02828789 Hamiltonian (3047.37492s) stopped
T01 >> 1462336974.02835393 LCAO eigensolver (1097.65702s) started
T01 >> 1462336974.02836704 Potential matrix (34.63036s) started
T01 << 1462336974.28142905 Potential matrix (34.88343s) stopped
T01 >> 1462336974.28149295 DistributedAtomicCorrection (184.66902s) started
T01 << 1462336975.58105111 DistributedAtomicCorrection (185.96858s) stopped
T01 >> 1462336975.58110809 Distribute overlap matrix (153.38715s) started
T01 >> 1462336975.58112907 blocked summation (145.28611s) started
T01 << 1462336976.71089101 blocked summation (146.41587s) stopped
T01 >> 1462336976.71172404 Scalapack redistribute (7.89099s) started
T01 << 1462336976.76052094 Scalapack redistribute (7.93979s) stopped
T01 << 1462336976.76059389 Distribute overlap matrix (154.56663s) stopped
T01 >> 1462336976.76117301 Blacs Orbital Layouts (375.02608s) started
T01 >> 1462336976.76174808 General diagonalize (367.64365s) started
T01 << 1462336979.37992406 General diagonalize (370.26183s) stopped
T01 >> 1462336979.37997389 Redistribute coefs (0.38862s) started
T01 << 1462336979.38228798 Redistribute coefs (0.39093s) stopped
T01 >> 1462336979.38232398 Send coefs to domains (6.78606s) started
T01 << 1462336979.43115401 Send coefs to domains (6.83489s) stopped
T01 << 1462336979.43119788 Blacs Orbital Layouts (377.69611s) stopped
T01 >> 1462336979.43124104 Calculate projections (349.82630s) started
T01 << 1462336981.95299911 Calculate projections (352.34806s) stopped
T01 << 1462336981.95306802 LCAO eigensolver (1105.58174s) stopped
T01 >> 1462336981.95372605 Density (265.23682s) started
T01 >> 1462336981.95373797 Pseudo density (218.31380s) started
T01 >> 1462336981.95408607 Calculate density matrix (195.94051s) started
T01 << 1462336983.46256995 Calculate density matrix (197.44900s) stopped
T01 >> 1462336983.46264291 Construct density (22.02799s) started
T01 << 1462336983.63056207 Construct density (22.19591s) stopped
T01 >> 1462336983.63168311 Symmetrize density (0.00554s) started
T01 << 1462336983.63171196 Symmetrize density (0.00557s) stopped
T01 << 1462336983.63207102 Pseudo density (219.99214s) stopped
T01 >> 1462336983.63209105 Atomic density matrices (31.03075s) started
T01 << 1462336983.87015605 Atomic density matrices (31.26882s) stopped
T01 >> 1462336983.87018991 Multipole moments (0.46822s) started
T01 << 1462336983.87399793 Multipole moments (0.47203s) stopped
T01 >> 1462336983.87402105 Normalize (0.13536s) started
T01 << 1462336983.87499309 Normalize (0.13633s) stopped
T01 >> 1462336983.87503099 Mix (15.28035s) started
T01 << 1462336983.98224211 Mix (15.38756s) stopped
T01 << 1462336983.98230791 Density (267.26541s) stopped
T01 >> 1462336983.98240304 Hamiltonian (3047.37493s) started
T01 >> 1462336983.98242092 vbar (1.51238s) started
T01 << 1462336983.99500799 vbar (1.52497s) stopped
T01 >> 1462336983.99509597 XC 3D grid (1322.56575s) started
T01 >> 1462336984.16931796 van der Waals (1276.12700s) started
T01 >> 1462336984.21230292 semilocal (291.89770s) started
T01 << 1462336986.44422102 semilocal (294.12962s) stopped
T01 >> 1462336986.47408009 redistribute (145.70244s) started
T01 << 1462336986.85938501 redistribute (146.08774s) stopped
T01 >> 1462336986.85944295 libvdwxc nonlocal (828.81981s) started
T01 << 1462336993.17178988 libvdwxc nonlocal (835.13215s) stopped
T01 >> 1462336993.17186308 redistribute (146.08777s) started
T01 << 1462336993.92328501 redistribute (146.83920s) stopped
T01 << 1462336993.92487001 van der Waals (1285.88255s) stopped
T01 << 1462336994.10465789 XC 3D grid (1332.67531s) stopped
T01 >> 1462336994.10469890 Poisson (295.93878s) started
T01 << 1462336996.40889096 Poisson (298.24297s) stopped
T01 >> 1462336996.40893602 Hartree integrate/restrict (10.45232s) started
T01 << 1462336996.42422700 Hartree integrate/restrict (10.46761s) stopped
T01 >> 1462336996.42433000 Hartree integrate/restrict (10.46769s) started
T01 << 1462336996.48745298 Hartree integrate/restrict (10.53081s) stopped
T01 >> 1462336996.50997901 Atomic (815.96776s) started
T01 >> 1462336996.51970601 XC Correction (814.34020s) started
T01 << 1462337002.71718192 XC Correction (820.53768s) stopped
T01 << 1462337002.72020411 Atomic (822.17799s) stopped
T01 >> 1462337002.72031903 Communicate (598.06732s) started
T01 << 1462337007.54630589 Communicate (602.89331s) stopped
T01 << 1462337007.54633093 Hamiltonian (3070.93886s) stopped
T01 >> 1462337007.54640198 LCAO eigensolver (1105.58175s) started
T01 >> 1462337007.54641509 Potential matrix (34.88346s) started
T01 << 1462337007.80067301 Potential matrix (35.13772s) stopped
T01 >> 1462337007.80073595 DistributedAtomicCorrection (185.96861s) started
T01 << 1462337009.09686208 DistributedAtomicCorrection (187.26473s) stopped
T01 >> 1462337009.09692001 Distribute overlap matrix (154.56665s) started
T01 >> 1462337009.09694004 blocked summation (146.41590s) started
T01 << 1462337010.24291110 blocked summation (147.56187s) stopped
T01 >> 1462337010.24374509 Scalapack redistribute (7.93982s) started
T01 << 1462337010.29698801 Scalapack redistribute (7.99306s) stopped
T01 << 1462337010.29706192 Distribute overlap matrix (155.76679s) stopped
T01 >> 1462337010.29763508 Blacs Orbital Layouts (377.69612s) started
T01 >> 1462337010.29820490 General diagonalize (370.26186s) started
T01 << 1462337012.91827798 General diagonalize (372.88193s) stopped
T01 >> 1462337012.91831899 Redistribute coefs (0.39096s) started
T01 << 1462337012.92056799 Redistribute coefs (0.39321s) stopped
T01 >> 1462337012.92060900 Send coefs to domains (6.83493s) started
T01 << 1462337012.96968389 Send coefs to domains (6.88400s) stopped
T01 << 1462337012.96972895 Blacs Orbital Layouts (380.36821s) stopped
T01 >> 1462337012.96976995 Calculate projections (352.34811s) started
T01 << 1462337015.49128008 Calculate projections (354.86962s) stopped
T01 << 1462337015.49134588 LCAO eigensolver (1113.52669s) stopped
T01 >> 1462337015.49203897 Density (267.26542s) started
T01 >> 1462337015.49205089 Pseudo density (219.99215s) started
T01 >> 1462337015.49239993 Calculate density matrix (197.44904s) started
T01 << 1462337017.01137090 Calculate density matrix (198.96801s) stopped
T01 >> 1462337017.01144099 Construct density (22.19594s) started
T01 << 1462337017.17967296 Construct density (22.36418s) stopped
T01 >> 1462337017.18080497 Symmetrize density (0.00558s) started
T01 << 1462337017.18083596 Symmetrize density (0.00561s) stopped
T01 << 1462337017.18121791 Pseudo density (221.68132s) stopped
T01 >> 1462337017.18123794 Atomic density matrices (31.26884s) started
T01 << 1462337017.41987109 Atomic density matrices (31.50748s) stopped
T01 >> 1462337017.41990495 Multipole moments (0.47204s) started
T01 << 1462337017.42370701 Multipole moments (0.47584s) stopped
T01 >> 1462337017.42372799 Normalize (0.13636s) started
T01 << 1462337017.42472005 Normalize (0.13735s) stopped
T01 >> 1462337017.42475009 Mix (15.38763s) started
T01 << 1462337017.53579402 Mix (15.49867s) stopped
T01 << 1462337017.53587103 Density (269.30925s) stopped
T01 >> 1462337017.53597903 Hamiltonian (3070.93887s) started
T01 >> 1462337017.53599906 vbar (1.52502s) started
T01 << 1462337017.54859996 vbar (1.53762s) stopped
T01 >> 1462337017.54869294 XC 3D grid (1332.67534s) started
T01 >> 1462337017.72847509 van der Waals (1285.88265s) started
T01 >> 1462337017.77119803 semilocal (294.12971s) started
T01 << 1462337020.00625992 semilocal (296.36477s) stopped
T01 >> 1462337020.03496599 redistribute (146.83924s) started
T01 << 1462337020.40619898 redistribute (147.21047s) stopped
T01 >> 1462337020.40625310 libvdwxc nonlocal (835.13220s) started
T01 << 1462337026.71607304 libvdwxc nonlocal (841.44202s) stopped
T01 >> 1462337026.71614099 redistribute (147.21050s) started
T01 << 1462337027.46224809 redistribute (147.95661s) stopped
T01 << 1462337027.46337700 van der Waals (1295.61755s) stopped
T01 << 1462337027.64194489 XC 3D grid (1342.76860s) stopped
T01 >> 1462337027.64199495 Poisson (298.24300s) started
T01 << 1462337030.49493194 Poisson (301.09594s) stopped
T01 >> 1462337030.49498296 Hartree integrate/restrict (10.53084s) started
T01 << 1462337030.51026392 Hartree integrate/restrict (10.54612s) stopped
T01 >> 1462337030.51033306 Hartree integrate/restrict (10.54617s) started
T01 << 1462337030.57448292 Hartree integrate/restrict (10.61032s) stopped
T01 >> 1462337030.59618306 Atomic (822.17800s) started
T01 >> 1462337030.60593200 XC Correction (820.53770s) started
T01 << 1462337036.82269311 XC Correction (826.75446s) stopped
T01 << 1462337036.82568192 Atomic (828.40750s) stopped
T01 >> 1462337036.82579494 Communicate (602.89333s) started
T01 << 1462337041.67313504 Communicate (607.74067s) stopped
T01 << 1462337041.67315793 Hamiltonian (3095.07605s) stopped
T01 >> 1462337041.67321992 LCAO eigensolver (1113.52671s) started
T01 >> 1462337041.67323399 Potential matrix (35.13776s) started
T01 << 1462337041.92713904 Potential matrix (35.39166s) stopped
T01 >> 1462337041.92720294 DistributedAtomicCorrection (187.26476s) started
T01 << 1462337043.22836494 DistributedAtomicCorrection (188.56593s) stopped
T01 >> 1462337043.22842097 Distribute overlap matrix (155.76680s) started
T01 >> 1462337043.22844100 blocked summation (147.56191s) started
T01 << 1462337044.36449003 blocked summation (148.69796s) stopped
T01 >> 1462337044.36531901 Scalapack redistribute (7.99309s) started
T01 << 1462337044.41768599 Scalapack redistribute (8.04546s) stopped
T01 << 1462337044.41778302 Distribute overlap matrix (156.95616s) stopped
T01 >> 1462337044.41839004 Blacs Orbital Layouts (380.36822s) started
T01 >> 1462337044.41905403 General diagonalize (372.88196s) started
T01 << 1462337047.04160690 General diagonalize (375.50451s) stopped
T01 >> 1462337047.04165792 Redistribute coefs (0.39324s) started
T01 << 1462337047.04411101 Redistribute coefs (0.39569s) stopped
T01 >> 1462337047.04418492 Send coefs to domains (6.88403s) started
T01 << 1462337047.09249997 Send coefs to domains (6.93235s) stopped
T01 << 1462337047.09254098 Blacs Orbital Layouts (383.04237s) stopped
T01 >> 1462337047.09258389 Calculate projections (354.86966s) started
T01 << 1462337049.61390090 Calculate projections (357.39098s) stopped
T01 << 1462337049.61396694 LCAO eigensolver (1121.46745s) stopped
T01 >> 1462337049.61465693 Density (269.30927s) started
T01 >> 1462337049.61466908 Pseudo density (221.68133s) started
T01 >> 1462337049.61502290 Calculate density matrix (198.96805s) started
T01 << 1462337051.13547993 Calculate density matrix (200.48851s) stopped
T01 >> 1462337051.13555288 Construct density (22.36421s) started
T01 << 1462337051.30334902 Construct density (22.53201s) stopped
T01 >> 1462337051.30449891 Symmetrize density (0.00564s) started
T01 << 1462337051.30452991 Symmetrize density (0.00567s) stopped
T01 << 1462337051.30489111 Pseudo density (223.37156s) stopped
T01 >> 1462337051.30491090 Atomic density matrices (31.50750s) started
T01 << 1462337051.54283905 Atomic density matrices (31.74543s) stopped
T01 >> 1462337051.54287195 Multipole moments (0.47586s) started
T01 << 1462337051.54667211 Multipole moments (0.47966s) stopped
T01 >> 1462337051.54669404 Normalize (0.13737s) started
T01 << 1462337051.54767799 Normalize (0.13836s) stopped
T01 >> 1462337051.54770899 Mix (15.49874s) started
T01 << 1462337051.66322088 Mix (15.61425s) stopped
T01 << 1462337051.66331005 Density (271.35792s) stopped
T01 >> 1462337051.66342592 Hamiltonian (3095.07606s) started
T01 >> 1462337051.66344595 vbar (1.53768s) started
T01 << 1462337051.67564893 vbar (1.54988s) stopped
T01 >> 1462337051.67575192 XC 3D grid (1342.76864s) started
T01 >> 1462337051.84974098 van der Waals (1295.61760s) started
T01 >> 1462337051.89399195 semilocal (296.36482s) started
T01 << 1462337054.13375807 semilocal (298.60459s) stopped
T01 >> 1462337054.16485095 redistribute (147.95666s) started
T01 << 1462337054.53596997 redistribute (148.32778s) stopped
T01 >> 1462337054.53602791 libvdwxc nonlocal (841.44206s) started
T01 << 1462337060.84908700 libvdwxc nonlocal (847.75512s) stopped
T01 >> 1462337060.84915304 redistribute (148.32781s) started
T01 << 1462337061.57734394 redistribute (149.05600s) stopped
T01 << 1462337061.57836699 van der Waals (1305.34623s) stopped
T01 << 1462337061.76146507 XC 3D grid (1352.85435s) stopped
T01 >> 1462337061.76150393 Poisson (301.09598s) started
T01 << 1462337064.04677701 Poisson (303.38125s) stopped
T01 >> 1462337064.04683089 Hartree integrate/restrict (10.61035s) started
T01 << 1462337064.06229496 Hartree integrate/restrict (10.62581s) stopped
T01 >> 1462337064.06233907 Hartree integrate/restrict (10.62584s) started
T01 << 1462337064.12593198 Hartree integrate/restrict (10.68943s) stopped
T01 >> 1462337064.14693189 Atomic (828.40752s) started
T01 >> 1462337064.15676308 XC Correction (826.75448s) started
T01 << 1462337070.46801710 XC Correction (833.06573s) stopped
T01 << 1462337070.47102809 Atomic (834.73162s) stopped
T01 >> 1462337070.47114491 Communicate (607.74068s) started
T01 << 1462337075.27267408 Communicate (612.54221s) stopped
T01 << 1462337075.27269912 Hamiltonian (3118.68534s) stopped
T01 >> 1462337075.27276492 LCAO eigensolver (1121.46747s) started
T01 >> 1462337075.27277899 Potential matrix (35.39170s) started
T01 << 1462337075.52550411 Potential matrix (35.64442s) stopped
T01 >> 1462337075.52556610 DistributedAtomicCorrection (188.56596s) started
T01 << 1462337076.81596494 DistributedAtomicCorrection (189.85636s) stopped
T01 >> 1462337076.81602001 Distribute overlap matrix (156.95617s) started
T01 >> 1462337076.81604004 blocked summation (148.69799s) started
T01 << 1462337077.95367002 blocked summation (149.83562s) stopped
T01 >> 1462337077.95450902 Scalapack redistribute (8.04550s) started
T01 << 1462337078.00801992 Scalapack redistribute (8.09902s) stopped
T01 << 1462337078.00811601 Distribute overlap matrix (158.14827s) stopped
T01 >> 1462337078.00873995 Blacs Orbital Layouts (383.04238s) started
T01 >> 1462337078.00944090 General diagonalize (375.50454s) started
T01 << 1462337080.61552310 General diagonalize (378.11063s) stopped
T01 >> 1462337080.61557388 Redistribute coefs (0.39572s) started
T01 << 1462337080.61876702 Redistribute coefs (0.39891s) stopped
T01 >> 1462337080.61880493 Send coefs to domains (6.93238s) started
T01 << 1462337080.66640210 Send coefs to domains (6.97998s) stopped
T01 << 1462337080.66644597 Blacs Orbital Layouts (385.70009s) stopped
T01 >> 1462337080.66649389 Calculate projections (357.39103s) started
T01 << 1462337083.18821096 Calculate projections (359.91275s) stopped
T01 << 1462337083.18827605 LCAO eigensolver (1129.38298s) stopped
T01 >> 1462337083.18896389 Density (271.35794s) started
T01 >> 1462337083.18897605 Pseudo density (223.37157s) started
T01 >> 1462337083.18932891 Calculate density matrix (200.48854s) started
T01 << 1462337084.72397089 Calculate density matrix (202.02319s) stopped
T01 >> 1462337084.72404408 Construct density (22.53204s) started
T01 << 1462337084.89210892 Construct density (22.70010s) stopped
T01 >> 1462337084.89323807 Symmetrize density (0.00568s) started
T01 << 1462337084.89326906 Symmetrize density (0.00571s) stopped
T01 << 1462337084.89363503 Pseudo density (225.07623s) stopped
T01 >> 1462337084.89365411 Atomic density matrices (31.74545s) started
T01 << 1462337085.13145089 Atomic density matrices (31.98325s) stopped
T01 >> 1462337085.13148403 Multipole moments (0.47967s) started
T01 << 1462337085.13529706 Multipole moments (0.48348s) stopped
T01 >> 1462337085.13531899 Normalize (0.13838s) started
T01 << 1462337085.13630009 Normalize (0.13936s) stopped
T01 >> 1462337085.13633490 Mix (15.61434s) started
T01 << 1462337085.25122595 Mix (15.72923s) stopped
T01 << 1462337085.25130296 Density (273.42028s) stopped
T01 >> 1462337085.25141907 Hamiltonian (3118.68535s) started
T01 >> 1462337085.25143790 vbar (1.54994s) started
T01 << 1462337085.26378989 vbar (1.56229s) stopped
T01 >> 1462337085.26387310 XC 3D grid (1352.85438s) started
T01 >> 1462337085.44480395 van der Waals (1305.34625s) started
T01 >> 1462337085.48616195 semilocal (298.60466s) started
T01 << 1462337087.72700691 semilocal (300.84550s) stopped
T01 >> 1462337087.75649500 redistribute (149.05603s) started
T01 << 1462337088.13213396 redistribute (149.43167s) stopped
T01 >> 1462337088.13218999 libvdwxc nonlocal (847.75516s) started
T01 << 1462337094.44443011 libvdwxc nonlocal (854.06740s) stopped
T01 >> 1462337094.44450402 redistribute (149.43170s) started
T01 << 1462337095.19104695 redistribute (150.17824s) stopped
T01 << 1462337095.19254994 van der Waals (1315.09399s) stopped
T01 << 1462337095.37147808 XC 3D grid (1362.96198s) stopped
T01 >> 1462337095.37151909 Poisson (303.38129s) started
T01 << 1462337097.66879106 Poisson (305.67856s) stopped
T01 >> 1462337097.66884899 Hartree integrate/restrict (10.68946s) started
T01 << 1462337097.68399811 Hartree integrate/restrict (10.70461s) stopped
T01 >> 1462337097.68406796 Hartree integrate/restrict (10.70465s) started
T01 << 1462337097.74777198 Hartree integrate/restrict (10.76836s) stopped
T01 >> 1462337097.77055812 Atomic (834.73163s) started
T01 >> 1462337097.78061390 XC Correction (833.06575s) started
T01 << 1462337104.17356992 XC Correction (839.45871s) stopped
T01 << 1462337104.17661500 Atomic (841.13769s) stopped
T01 >> 1462337104.17673302 Communicate (612.54223s) started
T01 << 1462337108.92487907 Communicate (617.29037s) stopped
T01 << 1462337108.92490292 Hamiltonian (3142.35883s) stopped
T01 >> 1462337108.92496490 LCAO eigensolver (1129.38302s) started
T01 >> 1462337108.92497802 Potential matrix (35.64446s) started
T01 << 1462337109.17858005 Potential matrix (35.89806s) stopped
T01 >> 1462337109.17864704 DistributedAtomicCorrection (189.85639s) started
T01 << 1462337110.47266698 DistributedAtomicCorrection (191.15041s) stopped
T01 >> 1462337110.47272396 Distribute overlap matrix (158.14828s) started
T01 >> 1462337110.47274303 blocked summation (149.83566s) started
T01 << 1462337111.62489009 blocked summation (150.98780s) stopped
T01 >> 1462337111.62567806 Scalapack redistribute (8.09906s) started
T01 << 1462337111.68319297 Scalapack redistribute (8.15658s) stopped
T01 << 1462337111.68327093 Distribute overlap matrix (159.35883s) stopped
T01 >> 1462337111.68384600 Blacs Orbital Layouts (385.70010s) started
T01 >> 1462337111.68440199 General diagonalize (378.11066s) started
T01 << 1462337114.33232307 General diagonalize (380.75858s) stopped
T01 >> 1462337114.33237410 Redistribute coefs (0.39894s) started
T01 << 1462337114.33577800 Redistribute coefs (0.40235s) stopped
T01 >> 1462337114.33581901 Send coefs to domains (6.98001s) started
T01 << 1462337114.38336897 Send coefs to domains (7.02756s) stopped
T01 << 1462337114.38341188 Blacs Orbital Layouts (388.39967s) stopped
T01 >> 1462337114.38345695 Calculate projections (359.91280s) started
T01 << 1462337116.90513206 Calculate projections (362.43447s) stopped
T01 << 1462337116.90519595 LCAO eigensolver (1137.36325s) stopped
T01 >> 1462337116.90589094 Density (273.42030s) started
T01 >> 1462337116.90590310 Pseudo density (225.07624s) started
T01 >> 1462337116.90625811 Calculate density matrix (202.02323s) started
T01 << 1462337118.44739795 Calculate density matrix (203.56437s) stopped
T01 >> 1462337118.44746995 Construct density (22.70013s) started
T01 << 1462337118.61562610 Construct density (22.86829s) stopped
T01 >> 1462337118.61676192 Symmetrize density (0.00572s) started
T01 << 1462337118.61679101 Symmetrize density (0.00575s) stopped
T01 << 1462337118.61715508 Pseudo density (226.78749s) stopped
T01 >> 1462337118.61717510 Atomic density matrices (31.98327s) started
T01 << 1462337118.85482407 Atomic density matrices (32.22092s) stopped
T01 >> 1462337118.85485697 Multipole moments (0.48350s) started
T01 << 1462337118.85872602 Multipole moments (0.48737s) stopped
T01 >> 1462337118.85874796 Normalize (0.13939s) started
T01 << 1462337118.85974598 Normalize (0.14038s) stopped
T01 >> 1462337118.85977602 Mix (15.72930s) started
T01 << 1462337118.97556710 Mix (15.84509s) stopped
T01 << 1462337118.97567892 Density (275.49008s) stopped
T01 >> 1462337118.97580695 Hamiltonian (3142.35885s) started
T01 >> 1462337118.97583008 vbar (1.56234s) started
T01 << 1462337118.98815107 vbar (1.57466s) stopped
T01 >> 1462337118.98823905 XC 3D grid (1362.96202s) started
T01 >> 1462337119.16036701 van der Waals (1315.09408s) started
T01 >> 1462337119.20455194 semilocal (300.84556s) started
T01 << 1462337121.45362401 semilocal (303.09463s) stopped
T01 >> 1462337121.48241305 redistribute (150.17828s) started
T01 << 1462337121.85016108 redistribute (150.54603s) stopped
T01 >> 1462337121.85021710 libvdwxc nonlocal (854.06744s) started
T01 << 1462337128.15302801 libvdwxc nonlocal (860.37025s) stopped
T01 >> 1462337128.15311193 redistribute (150.54606s) started
T01 << 1462337128.90198708 redistribute (151.29494s) stopped
T01 << 1462337128.90337205 van der Waals (1324.83708s) stopped
T01 << 1462337129.08236694 XC 3D grid (1373.05614s) stopped
T01 >> 1462337129.08242393 Poisson (305.67861s) started
T01 << 1462337131.37493300 Poisson (307.97112s) stopped
T01 >> 1462337131.37501693 Hartree integrate/restrict (10.76838s) started
T01 << 1462337131.39038706 Hartree integrate/restrict (10.78375s) stopped
T01 >> 1462337131.39052892 Hartree integrate/restrict (10.78385s) started
T01 << 1462337131.45474601 Hartree integrate/restrict (10.84807s) stopped
T01 >> 1462337131.47744608 Atomic (841.13771s) started
T01 >> 1462337131.48742890 XC Correction (839.45873s) started
T01 << 1462337137.85779691 XC Correction (845.82909s) stopped
T01 << 1462337137.86079311 Atomic (847.52105s) stopped
T01 >> 1462337137.86090899 Communicate (617.29039s) started
T01 << 1462337142.68827009 Communicate (622.11775s) stopped
T01 << 1462337142.68829393 Hamiltonian (3166.07133s) stopped
T01 >> 1462337142.68836093 LCAO eigensolver (1137.36326s) started
T01 >> 1462337142.68837500 Potential matrix (35.89810s) started
T01 << 1462337142.94298005 Potential matrix (36.15270s) stopped
T01 >> 1462337142.94304299 DistributedAtomicCorrection (191.15044s) started
T01 << 1462337144.23623109 DistributedAtomicCorrection (192.44362s) stopped
T01 >> 1462337144.23628712 Distribute overlap matrix (159.35884s) started
T01 >> 1462337144.23630595 blocked summation (150.98784s) started
T01 << 1462337145.41108799 blocked summation (152.16262s) stopped
T01 >> 1462337145.41187811 Scalapack redistribute (8.15661s) started
T01 << 1462337145.46800208 Scalapack redistribute (8.21273s) stopped
T01 << 1462337145.46808505 Distribute overlap matrix (160.59064s) stopped
T01 >> 1462337145.46866012 Blacs Orbital Layouts (388.39968s) started
T01 >> 1462337145.46926308 General diagonalize (380.75861s) started
T01 << 1462337148.08365893 General diagonalize (383.37301s) stopped
T01 >> 1462337148.08373404 Redistribute coefs (0.40238s) started
T01 << 1462337148.08695602 Redistribute coefs (0.40560s) stopped
T01 >> 1462337148.08699393 Send coefs to domains (7.02759s) started
T01 << 1462337148.13644195 Send coefs to domains (7.07704s) stopped
T01 << 1462337148.13648605 Blacs Orbital Layouts (391.06751s) stopped
T01 >> 1462337148.13652706 Calculate projections (362.43452s) started
T01 << 1462337150.65806103 Calculate projections (364.95605s) stopped
T01 << 1462337150.65812707 LCAO eigensolver (1145.33302s) stopped
T01 >> 1462337150.65880990 Density (275.49010s) started
T01 >> 1462337150.65882206 Pseudo density (226.78751s) started
T01 >> 1462337150.65917611 Calculate density matrix (203.56440s) started
T01 << 1462337152.19362211 Calculate density matrix (205.09885s) stopped
T01 >> 1462337152.19369411 Construct density (22.86832s) started
T01 << 1462337152.36171794 Construct density (23.03635s) stopped
T01 >> 1462337152.36284494 Symmetrize density (0.00576s) started
T01 << 1462337152.36287308 Symmetrize density (0.00579s) stopped
T01 << 1462337152.36323309 Pseudo density (228.49192s) stopped
T01 >> 1462337152.36325192 Atomic density matrices (32.22094s) started
T01 << 1462337152.60098505 Atomic density matrices (32.45867s) stopped
T01 >> 1462337152.60101795 Multipole moments (0.48738s) started
T01 << 1462337152.60489988 Multipole moments (0.49126s) stopped
T01 >> 1462337152.60492206 Normalize (0.14041s) started
T01 << 1462337152.60591102 Normalize (0.14140s) stopped
T01 >> 1462337152.60594010 Mix (15.84520s) started
T01 << 1462337152.72317410 Mix (15.96243s) stopped
T01 << 1462337152.72325206 Density (277.55454s) stopped
T01 >> 1462337152.72336102 Hamiltonian (3166.07134s) started
T01 >> 1462337152.72338104 vbar (1.57472s) started
T01 << 1462337152.73568296 vbar (1.58702s) stopped
T01 >> 1462337152.73577809 XC 3D grid (1373.05619s) started
T01 >> 1462337152.90752912 van der Waals (1324.83719s) started
T01 >> 1462337152.95075393 semilocal (303.09470s) started
T01 << 1462337155.20568991 semilocal (305.34963s) stopped
T01 >> 1462337155.23621392 redistribute (151.29498s) started
T01 << 1462337155.60572195 redistribute (151.66449s) stopped
T01 >> 1462337155.60577607 libvdwxc nonlocal (860.37030s) started
T01 << 1462337161.93344092 libvdwxc nonlocal (866.69797s) stopped
T01 >> 1462337161.93352008 redistribute (151.66452s) started
T01 << 1462337162.66815209 redistribute (152.39915s) stopped
T01 << 1462337162.66931891 van der Waals (1334.59898s) stopped
T01 << 1462337162.84877801 XC 3D grid (1383.16919s) stopped
T01 >> 1462337162.84881997 Poisson (307.97118s) started
T01 << 1462337165.14538908 Poisson (310.26775s) stopped
T01 >> 1462337165.14546204 Hartree integrate/restrict (10.84810s) started
T01 << 1462337165.16073489 Hartree integrate/restrict (10.86337s) stopped
T01 >> 1462337165.16078091 Hartree integrate/restrict (10.86340s) started
T01 << 1462337165.22393799 Hartree integrate/restrict (10.92656s) stopped
T01 >> 1462337165.24478102 Atomic (847.52107s) started
T01 >> 1462337165.25464201 XC Correction (845.82911s) started
T01 << 1462337171.65751910 XC Correction (852.23199s) stopped
T01 << 1462337171.66049099 Atomic (853.93678s) stopped
T01 >> 1462337171.66061091 Communicate (622.11777s) started
T01 << 1462337176.48379898 Communicate (626.94095s) stopped
T01 << 1462337176.48382306 Hamiltonian (3189.83181s) stopped
T01 >> 1462337176.48388505 LCAO eigensolver (1145.33304s) started
T01 >> 1462337176.48389912 Potential matrix (36.15274s) started
T01 << 1462337176.73691607 Potential matrix (36.40576s) stopped
T01 >> 1462337176.73697996 DistributedAtomicCorrection (192.44366s) started
T01 << 1462337178.02846909 DistributedAtomicCorrection (193.73514s) stopped
T01 >> 1462337178.02852392 Distribute overlap matrix (160.59065s) started
T01 >> 1462337178.02854395 blocked summation (152.16265s) started
T01 << 1462337179.21257901 blocked summation (153.34669s) stopped
T01 >> 1462337179.21336508 Scalapack redistribute (8.21277s) started
T01 << 1462337179.26613688 Scalapack redistribute (8.26554s) stopped
T01 << 1462337179.26623607 Distribute overlap matrix (161.82836s) stopped
T01 >> 1462337179.26686311 Blacs Orbital Layouts (391.06752s) started
T01 >> 1462337179.26758599 General diagonalize (383.37306s) started
T01 << 1462337181.89016604 General diagonalize (385.99564s) stopped
T01 >> 1462337181.89021707 Redistribute coefs (0.40563s) started
T01 << 1462337181.89358902 Redistribute coefs (0.40900s) stopped
T01 >> 1462337181.89363289 Send coefs to domains (7.07707s) started
T01 << 1462337181.94081903 Send coefs to domains (7.12426s) stopped
T01 << 1462337181.94086289 Blacs Orbital Layouts (393.74152s) stopped
T01 >> 1462337181.94090199 Calculate projections (364.95610s) started
T01 << 1462337184.46260905 Calculate projections (367.47781s) stopped
T01 << 1462337184.46267295 LCAO eigensolver (1153.31183s) stopped
T01 >> 1462337184.46333408 Density (277.55456s) started
T01 >> 1462337184.46334696 Pseudo density (228.49193s) started
T01 >> 1462337184.46370101 Calculate density matrix (205.09888s) started
T01 << 1462337185.99797893 Calculate density matrix (206.63316s) stopped
T01 >> 1462337185.99804592 Construct density (23.03638s) started
T01 << 1462337186.16600895 Construct density (23.20435s) stopped
T01 >> 1462337186.16713691 Symmetrize density (0.00580s) started
T01 << 1462337186.16716599 Symmetrize density (0.00583s) stopped
T01 << 1462337186.16752696 Pseudo density (230.19611s) stopped
T01 >> 1462337186.16754603 Atomic density matrices (32.45870s) started
T01 << 1462337186.40545392 Atomic density matrices (32.69660s) stopped
T01 >> 1462337186.40548801 Multipole moments (0.49128s) started
T01 << 1462337186.40936708 Multipole moments (0.49516s) stopped
T01 >> 1462337186.40938902 Normalize (0.14142s) started
T01 << 1462337186.41036797 Normalize (0.14240s) stopped
T01 >> 1462337186.41039991 Mix (15.96251s) started
T01 << 1462337186.52619195 Mix (16.07830s) stopped
T01 << 1462337186.52629805 Density (279.61752s) stopped
T01 >> 1462337186.52641892 Hamiltonian (3189.83182s) started
T01 >> 1462337186.52643895 vbar (1.58708s) started
T01 << 1462337186.53870392 vbar (1.59934s) stopped
T01 >> 1462337186.53879905 XC 3D grid (1383.16922s) started
T01 >> 1462337186.71761394 van der Waals (1334.59903s) started
T01 >> 1462337186.75990796 semilocal (305.34967s) started
T01 << 1462337189.00762796 semilocal (307.59739s) stopped
T01 >> 1462337189.03787708 redistribute (152.39920s) started
T01 << 1462337189.40487003 redistribute (152.76619s) stopped
T01 >> 1462337189.40492606 libvdwxc nonlocal (866.69801s) started
T01 << 1462337195.70738101 libvdwxc nonlocal (873.00047s) stopped
T01 >> 1462337195.70744610 redistribute (152.76622s) started
T01 << 1462337196.45252991 redistribute (153.51130s) stopped
T01 << 1462337196.45403504 van der Waals (1344.33545s) stopped
T01 << 1462337196.63249302 XC 3D grid (1393.26292s) stopped
T01 >> 1462337196.63253403 Poisson (310.26780s) started
T01 << 1462337198.92428207 Poisson (312.55955s) stopped
T01 >> 1462337198.92433500 Hartree integrate/restrict (10.92660s) started
T01 << 1462337198.93973708 Hartree integrate/restrict (10.94200s) stopped
T01 >> 1462337198.93979812 Hartree integrate/restrict (10.94204s) started
T01 << 1462337199.00421000 Hartree integrate/restrict (11.00645s) stopped
T01 >> 1462337199.02508998 Atomic (853.93680s) started
T01 >> 1462337199.03505397 XC Correction (852.23201s) started
T01 << 1462337205.40655708 XC Correction (858.60351s) stopped
T01 << 1462337205.40956306 Atomic (860.32127s) stopped
T01 >> 1462337205.40968394 Communicate (626.94097s) started
T01 << 1462337210.13156009 Communicate (631.66285s) stopped
T01 << 1462337210.13158393 Hamiltonian (3213.43698s) stopped
T01 >> 1462337210.13165689 LCAO eigensolver (1153.31184s) started
T01 >> 1462337210.13167191 Potential matrix (36.40579s) started
T01 << 1462337210.38512206 Potential matrix (36.65924s) stopped
T01 >> 1462337210.38518906 DistributedAtomicCorrection (193.73517s) started
T01 << 1462337211.68469691 DistributedAtomicCorrection (195.03468s) stopped
T01 >> 1462337211.68475294 Distribute overlap matrix (161.82837s) started
T01 >> 1462337211.68479991 blocked summation (153.34672s) started
T01 << 1462337212.86314797 blocked summation (154.52507s) stopped
T01 >> 1462337212.86392498 Scalapack redistribute (8.26558s) started
T01 << 1462337212.92086411 Scalapack redistribute (8.32252s) stopped
T01 << 1462337212.92094588 Distribute overlap matrix (163.06457s) stopped
T01 >> 1462337212.92152095 Blacs Orbital Layouts (393.74153s) started
T01 >> 1462337212.92277789 General diagonalize (385.99567s) started
T01 << 1462337215.53209710 General diagonalize (388.60499s) stopped
T01 >> 1462337215.53214788 Redistribute coefs (0.40904s) started
T01 << 1462337215.53541207 Redistribute coefs (0.41230s) stopped
T01 >> 1462337215.53544903 Send coefs to domains (7.12429s) started
T01 << 1462337215.58393598 Send coefs to domains (7.17278s) stopped
T01 << 1462337215.58418989 Blacs Orbital Layouts (396.40420s) stopped
T01 >> 1462337215.58423495 Calculate projections (367.47785s) started
T01 << 1462337218.10569191 Calculate projections (369.99931s) stopped
T01 << 1462337218.10575700 LCAO eigensolver (1161.28594s) stopped
T01 >> 1462337218.10643291 Density (279.61754s) started
T01 >> 1462337218.10644603 Pseudo density (230.19613s) started
T01 >> 1462337218.10680604 Calculate density matrix (206.63319s) started
T01 << 1462337219.63902593 Calculate density matrix (208.16541s) stopped
T01 >> 1462337219.63909507 Construct density (23.20438s) started
T01 << 1462337219.80759192 Construct density (23.37288s) stopped
T01 >> 1462337219.80872703 Symmetrize density (0.00584s) started
T01 << 1462337219.80875492 Symmetrize density (0.00587s) stopped
T01 << 1462337219.80911303 Pseudo density (231.89879s) stopped
T01 >> 1462337219.80913305 Atomic density matrices (32.69663s) started
T01 << 1462337220.04628491 Atomic density matrices (32.93378s) stopped
T01 >> 1462337220.04631710 Multipole moments (0.49517s) started
T01 << 1462337220.05027294 Multipole moments (0.49913s) stopped
T01 >> 1462337220.05029511 Normalize (0.14242s) started
T01 << 1462337220.05127692 Normalize (0.14340s) stopped
T01 >> 1462337220.05130792 Mix (16.07840s) started
T01 << 1462337220.16664505 Mix (16.19374s) stopped
T01 << 1462337220.16672611 Density (281.67783s) stopped
T01 >> 1462337220.16684008 Hamiltonian (3213.43700s) started
T01 >> 1462337220.16686010 vbar (1.59940s) started
T01 << 1462337220.17946911 vbar (1.61201s) stopped
T01 >> 1462337220.17955303 XC 3D grid (1393.26295s) started
T01 >> 1462337220.35849309 van der Waals (1344.33549s) started
T01 >> 1462337220.40083289 semilocal (307.59747s) started
T01 << 1462337222.64310098 semilocal (309.83974s) stopped
T01 >> 1462337222.67194104 redistribute (153.51134s) started
T01 << 1462337223.04358411 redistribute (153.88299s) stopped
T01 >> 1462337223.04364491 libvdwxc nonlocal (873.00050s) started
T01 << 1462337229.38296390 libvdwxc nonlocal (879.33982s) stopped
T01 >> 1462337229.38302112 redistribute (153.88302s) started
T01 << 1462337230.13914704 redistribute (154.63915s) stopped
T01 << 1462337230.14033794 van der Waals (1354.11733s) stopped
T01 << 1462337230.31879997 XC 3D grid (1403.40220s) stopped
T01 >> 1462337230.31884909 Poisson (312.55959s) started
T01 << 1462337232.60575294 Poisson (314.84650s) stopped
T01 >> 1462337232.60582709 Hartree integrate/restrict (11.00648s) started
T01 << 1462337232.62106395 Hartree integrate/restrict (11.02172s) stopped
T01 >> 1462337232.62118292 Hartree integrate/restrict (11.02180s) started
T01 << 1462337232.68541503 Hartree integrate/restrict (11.08603s) stopped
T01 >> 1462337232.70674109 Atomic (860.32129s) started
T01 >> 1462337232.71676898 XC Correction (858.60353s) started
T01 << 1462337239.09486890 XC Correction (864.98163s) stopped
T01 << 1462337239.09787893 Atomic (866.71243s) stopped
T01 >> 1462337239.09799504 Communicate (631.66286s) started
T01 << 1462337243.85787511 Communicate (636.42274s) stopped
T01 << 1462337243.85790110 Hamiltonian (3237.12806s) stopped
T01 >> 1462337243.85797000 LCAO eigensolver (1161.28595s) started
T01 >> 1462337243.85798311 Potential matrix (36.65928s) started
T01 << 1462337244.11043310 Potential matrix (36.91173s) stopped
T01 >> 1462337244.11049700 DistributedAtomicCorrection (195.03471s) started
T01 << 1462337245.40729594 DistributedAtomicCorrection (196.33151s) stopped
T01 >> 1462337245.40735292 Distribute overlap matrix (163.06458s) started
T01 >> 1462337245.40737295 blocked summation (154.52510s) started
T01 << 1462337246.57023096 blocked summation (155.68796s) stopped
T01 >> 1462337246.57104897 Scalapack redistribute (8.32255s) started
T01 << 1462337246.63085699 Scalapack redistribute (8.38236s) stopped
T01 << 1462337246.63093591 Distribute overlap matrix (164.28816s) stopped
T01 >> 1462337246.63150311 Blacs Orbital Layouts (396.40422s) started
T01 >> 1462337246.63203502 General diagonalize (388.60502s) started
T01 << 1462337249.24721098 General diagonalize (391.22020s) stopped
T01 >> 1462337249.24726200 Redistribute coefs (0.41233s) started
T01 << 1462337249.25069594 Redistribute coefs (0.41576s) stopped
T01 >> 1462337249.25073409 Send coefs to domains (7.17281s) started
T01 << 1462337249.29824495 Send coefs to domains (7.22032s) stopped
T01 << 1462337249.29828596 Blacs Orbital Layouts (399.07100s) stopped
T01 >> 1462337249.29833508 Calculate projections (369.99936s) started
T01 << 1462337251.82026410 Calculate projections (372.52129s) stopped
T01 << 1462337251.82032990 LCAO eigensolver (1169.24831s) stopped
T01 >> 1462337251.82101107 Density (281.67785s) started
T01 >> 1462337251.82102299 Pseudo density (231.89881s) started
T01 >> 1462337251.82136893 Calculate density matrix (208.16545s) started
T01 << 1462337253.35976696 Calculate density matrix (209.70385s) stopped
T01 >> 1462337253.35983610 Construct density (23.37291s) started
T01 << 1462337253.52766800 Construct density (23.54074s) stopped
T01 >> 1462337253.52881193 Symmetrize density (0.00588s) started
T01 << 1462337253.52884293 Symmetrize density (0.00591s) stopped
T01 << 1462337253.52919888 Pseudo density (233.60698s) stopped
T01 >> 1462337253.52921891 Atomic density matrices (32.93380s) started
T01 << 1462337253.76693296 Atomic density matrices (33.17151s) stopped
T01 >> 1462337253.76696610 Multipole moments (0.49915s) started
T01 << 1462337253.77093911 Multipole moments (0.50312s) stopped
T01 >> 1462337253.77096105 Normalize (0.14342s) started
T01 << 1462337253.77202010 Normalize (0.14448s) stopped
T01 >> 1462337253.77205110 Mix (16.19382s) started
T01 << 1462337253.88773799 Mix (16.30950s) stopped
T01 << 1462337253.88782001 Density (283.74466s) stopped
T01 >> 1462337253.88792491 Hamiltonian (3237.12807s) started
T01 >> 1462337253.88794494 vbar (1.61206s) started
T01 << 1462337253.90031099 vbar (1.62443s) stopped
T01 >> 1462337253.90038991 XC 3D grid (1403.40223s) started
T01 >> 1462337254.07726908 van der Waals (1354.11737s) started
T01 >> 1462337254.12066102 semilocal (309.83979s) started
T01 << 1462337256.36878991 semilocal (312.08792s) stopped
T01 >> 1462337256.40021300 redistribute (154.63919s) started
T01 << 1462337256.76767707 redistribute (155.00666s) stopped
T01 >> 1462337256.76773190 libvdwxc nonlocal (879.33985s) started
T01 << 1462337263.08018589 libvdwxc nonlocal (885.65231s) stopped
T01 >> 1462337263.08025908 redistribute (155.00669s) started
T01 << 1462337263.81340790 redistribute (155.73984s) stopped
T01 << 1462337263.81457400 van der Waals (1363.85468s) stopped
T01 << 1462337263.99334097 XC 3D grid (1413.49518s) stopped
T01 >> 1462337263.99338007 Poisson (314.84655s) started
T01 << 1462337265.72105289 Poisson (316.57422s) stopped
T01 >> 1462337265.72110891 Hartree integrate/restrict (11.08607s) started
T01 << 1462337265.73649907 Hartree integrate/restrict (11.10146s) stopped
T01 >> 1462337265.73654890 Hartree integrate/restrict (11.10149s) started
T01 << 1462337265.80001593 Hartree integrate/restrict (11.16496s) stopped
T01 >> 1462337265.82079005 Atomic (866.71244s) started
T01 >> 1462337265.83073997 XC Correction (864.98166s) started
T01 << 1462337272.12290311 XC Correction (871.27382s) stopped
T01 << 1462337272.12592506 Atomic (873.01758s) stopped
T01 >> 1462337272.12604594 Communicate (636.42276s) started
T01 << 1462337276.95137596 Communicate (641.24809s) stopped
T01 << 1462337276.95140004 Hamiltonian (3260.19155s) stopped
T01 >> 1462337276.95146108 LCAO eigensolver (1169.24832s) started
T01 >> 1462337276.95147491 Potential matrix (36.91176s) started
T01 << 1462337277.20452690 Potential matrix (37.16482s) stopped
T01 >> 1462337277.20459008 DistributedAtomicCorrection (196.33154s) started
T01 << 1462337278.50419307 DistributedAtomicCorrection (197.63115s) stopped
T01 >> 1462337278.50424910 Distribute overlap matrix (164.28818s) started
T01 >> 1462337278.50426888 blocked summation (155.68799s) started
T01 << 1462337279.64809990 blocked summation (156.83182s) stopped
T01 >> 1462337279.64892101 Scalapack redistribute (8.38239s) started
T01 << 1462337279.70705199 Scalapack redistribute (8.44052s) stopped
T01 << 1462337279.70712709 Distribute overlap matrix (165.49105s) stopped
T01 >> 1462337279.70770907 Blacs Orbital Layouts (399.07101s) started
T01 >> 1462337279.70900512 General diagonalize (391.22023s) started
T01 << 1462337282.33220100 General diagonalize (393.84343s) stopped
T01 >> 1462337282.33225203 Redistribute coefs (0.41579s) started
T01 << 1462337282.33552790 Redistribute coefs (0.41907s) stopped
T01 >> 1462337282.33556604 Send coefs to domains (7.22035s) started
T01 << 1462337282.38366389 Send coefs to domains (7.26845s) stopped
T01 << 1462337282.38391304 Blacs Orbital Layouts (401.74721s) stopped
T01 >> 1462337282.38396001 Calculate projections (372.52133s) started
T01 << 1462337284.90572906 Calculate projections (375.04310s) stopped
T01 << 1462337284.90579510 LCAO eigensolver (1177.20266s) stopped
T01 >> 1462337284.90646005 Density (283.74467s) started
T01 >> 1462337284.90647197 Pseudo density (233.60700s) started
T01 >> 1462337284.90683198 Calculate density matrix (209.70388s) started
T01 << 1462337286.40903807 Calculate density matrix (211.20609s) stopped
T01 >> 1462337286.40911293 Construct density (23.54078s) started
T01 << 1462337286.57691097 Construct density (23.70857s) stopped
T01 >> 1462337286.57803607 Symmetrize density (0.00592s) started
T01 << 1462337286.57806611 Symmetrize density (0.00595s) stopped
T01 << 1462337286.57842207 Pseudo density (235.27895s) stopped
T01 >> 1462337286.57844210 Atomic density matrices (33.17154s) started
T01 << 1462337286.81642795 Atomic density matrices (33.40952s) stopped
T01 >> 1462337286.81646204 Multipole moments (0.50313s) started
T01 << 1462337286.82043099 Multipole moments (0.50710s) stopped
T01 >> 1462337286.82045293 Normalize (0.14450s) started
T01 << 1462337286.82143092 Normalize (0.14548s) stopped
T01 >> 1462337286.82146406 Mix (16.30958s) started
T01 << 1462337286.93654704 Mix (16.42466s) stopped
T01 << 1462337286.93663812 Density (285.77485s) stopped
T01 >> 1462337286.93675089 Hamiltonian (3260.19156s) started
T01 >> 1462337286.93677211 vbar (1.62448s) started
T01 << 1462337286.94919300 vbar (1.63690s) stopped
T01 >> 1462337286.94928098 XC 3D grid (1413.49521s) started
T01 >> 1462337287.13277793 van der Waals (1363.85475s) started
T01 >> 1462337287.17298388 semilocal (312.08799s) started
T01 << 1462337289.40845203 semilocal (314.32346s) stopped
T01 >> 1462337289.43867493 redistribute (155.73987s) started
T01 << 1462337289.80726099 redistribute (156.10845s) stopped
T01 >> 1462337289.80731606 libvdwxc nonlocal (885.65235s) started
T01 << 1462337296.16422606 libvdwxc nonlocal (892.00926s) stopped
T01 >> 1462337296.16429305 redistribute (156.10848s) started
T01 << 1462337296.91445398 redistribute (156.85864s) stopped
T01 << 1462337296.91595292 van der Waals (1373.63792s) stopped
T01 << 1462337297.09607410 XC 3D grid (1423.64201s) stopped
T01 >> 1462337297.09611511 Poisson (316.57427s) started
T01 << 1462337298.82812595 Poisson (318.30628s) stopped
T01 >> 1462337298.82817888 Hartree integrate/restrict (11.16499s) started
T01 << 1462337298.84334803 Hartree integrate/restrict (11.18016s) stopped
T01 >> 1462337298.84344697 Hartree integrate/restrict (11.18022s) started
T01 << 1462337298.90776706 Hartree integrate/restrict (11.24454s) stopped
T01 >> 1462337298.93043399 Atomic (873.01759s) started
T01 >> 1462337298.94051194 XC Correction (871.27384s) started
T01 << 1462337305.28770804 XC Correction (877.62104s) stopped
T01 << 1462337305.29072189 Atomic (879.37788s) stopped
T01 >> 1462337305.29083800 Communicate (641.24811s) started
T01 << 1462337310.13498211 Communicate (646.09225s) stopped
T01 << 1462337310.13500595 Hamiltonian (3283.38982s) stopped
T01 >> 1462337310.13506603 LCAO eigensolver (1177.20267s) started
T01 >> 1462337310.13508010 Potential matrix (37.16485s) started
T01 << 1462337310.38934708 Potential matrix (37.41912s) stopped
T01 >> 1462337310.38941312 DistributedAtomicCorrection (197.63118s) started
T01 << 1462337311.68350911 DistributedAtomicCorrection (198.92527s) stopped
T01 >> 1462337311.68356395 Distribute overlap matrix (165.49107s) started
T01 >> 1462337311.68358397 blocked summation (156.83186s) started
T01 << 1462337312.83023310 blocked summation (157.97850s) stopped
T01 >> 1462337312.83105898 Scalapack redistribute (8.44055s) started
T01 << 1462337312.88979602 Scalapack redistribute (8.49929s) stopped
T01 << 1462337312.88987708 Distribute overlap matrix (166.69738s) stopped
T01 >> 1462337312.89045095 Blacs Orbital Layouts (401.74723s) started
T01 >> 1462337312.89163589 General diagonalize (393.84346s) started
T01 << 1462337315.51430392 General diagonalize (396.46613s) stopped
T01 >> 1462337315.51435590 Redistribute coefs (0.41910s) started
T01 << 1462337315.51755691 Redistribute coefs (0.42230s) stopped
T01 >> 1462337315.51759601 Send coefs to domains (7.26848s) started
T01 << 1462337315.56498003 Send coefs to domains (7.31587s) stopped
T01 << 1462337315.56522703 Blacs Orbital Layouts (404.42201s) stopped
T01 >> 1462337315.56527209 Calculate projections (375.04315s) started
T01 << 1462337318.08684492 Calculate projections (377.56472s) stopped
T01 << 1462337318.08691096 LCAO eigensolver (1185.15451s) stopped
T01 >> 1462337318.08761406 Density (285.77487s) started
T01 >> 1462337318.08762693 Pseudo density (235.27896s) started
T01 >> 1462337318.08797598 Calculate density matrix (211.20613s) started
T01 << 1462337319.58855295 Calculate density matrix (212.70670s) stopped
T01 >> 1462337319.58862805 Construct density (23.70861s) started
T01 << 1462337319.75705791 Construct density (23.87704s) stopped
T01 >> 1462337319.75818992 Symmetrize density (0.00596s) started
T01 << 1462337319.75821900 Symmetrize density (0.00599s) stopped
T01 << 1462337319.75857496 Pseudo density (236.94991s) stopped
T01 >> 1462337319.75859499 Atomic density matrices (33.40955s) started
T01 << 1462337319.99579692 Atomic density matrices (33.64675s) stopped
T01 >> 1462337319.99582911 Multipole moments (0.50712s) started
T01 << 1462337319.99974799 Multipole moments (0.51104s) stopped
T01 >> 1462337319.99976993 Normalize (0.14551s) started
T01 << 1462337320.00076103 Normalize (0.14650s) stopped
T01 >> 1462337320.00079107 Mix (16.42475s) started
T01 << 1462337320.11567712 Mix (16.53964s) stopped
T01 << 1462337320.11577392 Density (287.80303s) stopped
T01 >> 1462337320.11588311 Hamiltonian (3283.38983s) started
T01 >> 1462337320.11590195 vbar (1.63695s) started
T01 << 1462337320.12833190 vbar (1.64938s) stopped
T01 >> 1462337320.12841797 XC 3D grid (1423.64204s) started
T01 >> 1462337320.30371594 van der Waals (1373.63799s) started
T01 >> 1462337320.34721088 semilocal (314.32349s) started
T01 << 1462337322.59225702 semilocal (316.56854s) stopped
T01 >> 1462337322.62145090 redistribute (156.85868s) started
T01 << 1462337322.98856091 redistribute (157.22579s) stopped
T01 >> 1462337322.98862100 libvdwxc nonlocal (892.00930s) started
T01 << 1462337329.29572797 libvdwxc nonlocal (898.31641s) stopped
T01 >> 1462337329.29578996 redistribute (157.22582s) started
T01 << 1462337330.04278803 redistribute (157.97282s) stopped
T01 << 1462337330.04404807 van der Waals (1383.37832s) stopped
T01 << 1462337330.22320509 XC 3D grid (1433.73683s) stopped
T01 >> 1462337330.22326398 Poisson (318.30632s) started
T01 << 1462337331.95202088 Poisson (320.03507s) stopped
T01 >> 1462337331.95210290 Hartree integrate/restrict (11.24459s) started
T01 << 1462337331.96743393 Hartree integrate/restrict (11.25992s) stopped
T01 >> 1462337331.96758389 Hartree integrate/restrict (11.26002s) started
T01 << 1462337332.03033400 Hartree integrate/restrict (11.32277s) stopped
T01 >> 1462337332.05486107 Atomic (879.37790s) started
T01 >> 1462337332.06489801 XC Correction (877.62106s) started
T01 << 1462337338.40399098 XC Correction (883.96015s) stopped
T01 << 1462337338.40701103 Atomic (885.73005s) stopped
T01 >> 1462337338.40713000 Communicate (646.09227s) started
T01 << 1462337343.11080909 Communicate (650.79595s) stopped
T01 << 1462337343.11083293 Hamiltonian (3306.38478s) stopped
T01 >> 1462337343.11089396 LCAO eigensolver (1185.15452s) started
T01 >> 1462337343.11090803 Potential matrix (37.41916s) started
T01 << 1462337343.36415005 Potential matrix (37.67240s) stopped
T01 >> 1462337343.36421299 DistributedAtomicCorrection (198.92530s) started
T01 << 1462337344.66015005 DistributedAtomicCorrection (200.22124s) stopped
T01 >> 1462337344.66020703 Distribute overlap matrix (166.69739s) started
T01 >> 1462337344.66022706 blocked summation (157.97854s) started
T01 << 1462337345.81814003 blocked summation (159.13645s) stopped
T01 >> 1462337345.81895089 Scalapack redistribute (8.49932s) started
T01 << 1462337345.87725496 Scalapack redistribute (8.55763s) stopped
T01 << 1462337345.87733603 Distribute overlap matrix (167.91452s) stopped
T01 >> 1462337345.87791610 Blacs Orbital Layouts (404.42202s) started
T01 >> 1462337345.87926412 General diagonalize (396.46616s) started
T01 << 1462337348.50898504 General diagonalize (399.09588s) stopped
T01 >> 1462337348.50903511 Redistribute coefs (0.42233s) started
T01 << 1462337348.51225400 Redistribute coefs (0.42555s) stopped
T01 >> 1462337348.51229310 Send coefs to domains (7.31590s) started
T01 << 1462337348.55952096 Send coefs to domains (7.36313s) stopped
T01 << 1462337348.55976892 Blacs Orbital Layouts (407.10388s) stopped
T01 >> 1462337348.55981994 Calculate projections (377.56477s) started
T01 << 1462337351.08150196 Calculate projections (380.08645s) stopped
T01 << 1462337351.08156896 LCAO eigensolver (1193.12520s) stopped
T01 >> 1462337351.08226609 Density (287.80304s) started
T01 >> 1462337351.08227801 Pseudo density (236.94993s) started
T01 >> 1462337351.08263612 Calculate density matrix (212.70674s) started
T01 << 1462337352.57859898 Calculate density matrix (214.20270s) stopped
T01 >> 1462337352.57867193 Construct density (23.87707s) started
T01 << 1462337352.74634409 Construct density (24.04474s) stopped
T01 >> 1462337352.74747992 Symmetrize density (0.00600s) started
T01 << 1462337352.74750805 Symmetrize density (0.00603s) stopped
T01 << 1462337352.74788404 Pseudo density (238.61553s) stopped
T01 >> 1462337352.74790406 Atomic density matrices (33.64677s) started
T01 << 1462337352.98541594 Atomic density matrices (33.88428s) stopped
T01 >> 1462337352.98544908 Multipole moments (0.51105s) started
T01 << 1462337352.98933697 Multipole moments (0.51494s) stopped
T01 >> 1462337352.98935890 Normalize (0.14652s) started
T01 << 1462337352.99033809 Normalize (0.14750s) stopped
T01 >> 1462337352.99036908 Mix (16.53973s) started
T01 << 1462337353.10633206 Mix (16.65569s) stopped
T01 << 1462337353.10641098 Density (289.82719s) stopped
T01 >> 1462337353.10652709 Hamiltonian (3306.38479s) started
T01 >> 1462337353.10654807 vbar (1.64943s) started
T01 << 1462337353.11888504 vbar (1.66177s) stopped
T01 >> 1462337353.11897612 XC 3D grid (1433.73687s) started
T01 >> 1462337353.29263401 van der Waals (1383.37839s) started
T01 >> 1462337353.33623600 semilocal (316.56862s) started
T01 << 1462337355.58627200 semilocal (318.81865s) stopped
T01 >> 1462337355.61585093 redistribute (157.97285s) started
T01 << 1462337355.98399401 redistribute (158.34100s) stopped
T01 >> 1462337355.98405004 libvdwxc nonlocal (898.31645s) started
T01 << 1462337362.31212497 libvdwxc nonlocal (904.64452s) stopped
T01 >> 1462337362.31219697 redistribute (158.34103s) started
T01 << 1462337363.04592705 redistribute (159.07476s) stopped
T01 << 1462337363.04711294 van der Waals (1393.13287s) stopped
T01 << 1462337363.22632599 XC 3D grid (1443.84422s) stopped
T01 >> 1462337363.22636700 Poisson (320.03514s) started
T01 << 1462337364.95041990 Poisson (321.75919s) stopped
T01 >> 1462337364.95048904 Hartree integrate/restrict (11.32280s) started
T01 << 1462337364.96578598 Hartree integrate/restrict (11.33810s) stopped
T01 >> 1462337364.96583009 Hartree integrate/restrict (11.33813s) started
T01 << 1462337365.02939701 Hartree integrate/restrict (11.40169s) stopped
T01 >> 1462337365.05022597 Atomic (885.73007s) started
T01 >> 1462337365.06030893 XC Correction (883.96017s) started
T01 << 1462337371.40454006 XC Correction (890.30440s) stopped
T01 << 1462337371.40756297 Atomic (892.08740s) stopped
T01 >> 1462337371.40768504 Communicate (650.79596s) started
T01 << 1462337376.10604501 Communicate (655.49432s) stopped
T01 << 1462337376.10607004 Hamiltonian (3329.38433s) stopped
T01 >> 1462337376.10612988 LCAO eigensolver (1193.12521s) started
T01 >> 1462337376.10614395 Potential matrix (37.67243s) started
T01 << 1462337376.35927796 Potential matrix (37.92557s) stopped
T01 >> 1462337376.35934210 DistributedAtomicCorrection (200.22127s) started
T01 << 1462337377.65535903 DistributedAtomicCorrection (201.51729s) stopped
T01 >> 1462337377.65541601 Distribute overlap matrix (167.91453s) started
T01 >> 1462337377.65543699 blocked summation (159.13648s) started
T01 << 1462337378.80367899 blocked summation (160.28472s) stopped
T01 >> 1462337378.80446196 Scalapack redistribute (8.55766s) started
T01 << 1462337378.86251211 Scalapack redistribute (8.61571s) stopped
T01 << 1462337378.86259294 Distribute overlap matrix (169.12171s) stopped
T01 >> 1462337378.86316800 Blacs Orbital Layouts (407.10389s) started
T01 >> 1462337378.86450291 General diagonalize (399.09591s) started
T01 << 1462337381.47954392 General diagonalize (401.71095s) stopped
T01 >> 1462337381.47959399 Redistribute coefs (0.42558s) started
T01 << 1462337381.48283911 Redistribute coefs (0.42883s) stopped
T01 >> 1462337381.48287702 Send coefs to domains (7.36316s) started
T01 << 1462337381.52973795 Send coefs to domains (7.41002s) stopped
T01 << 1462337381.52999401 Blacs Orbital Layouts (409.77072s) stopped
T01 >> 1462337381.53004289 Calculate projections (380.08650s) started
T01 << 1462337384.05165195 Calculate projections (382.60811s) stopped
T01 << 1462337384.05171800 LCAO eigensolver (1201.07080s) stopped
T01 >> 1462337384.05239201 Density (289.82720s) started
T01 >> 1462337384.05240393 Pseudo density (238.61555s) started
T01 >> 1462337384.05276299 Calculate density matrix (214.20274s) started
T01 << 1462337385.59211802 Calculate density matrix (215.74209s) stopped
T01 >> 1462337385.59218597 Construct density (24.04477s) started
T01 << 1462337385.76038003 Construct density (24.21297s) stopped
T01 >> 1462337385.76152205 Symmetrize density (0.00604s) started
T01 << 1462337385.76155090 Symmetrize density (0.00607s) stopped
T01 << 1462337385.76191401 Pseudo density (240.32506s) stopped
T01 >> 1462337385.76193404 Atomic density matrices (33.88430s) started
T01 << 1462337385.99983191 Atomic density matrices (34.12220s) stopped
T01 >> 1462337385.99986506 Multipole moments (0.51496s) started
T01 << 1462337386.00378799 Multipole moments (0.51888s) stopped
T01 >> 1462337386.00380993 Normalize (0.14752s) started
T01 << 1462337386.00479889 Normalize (0.14851s) stopped
T01 >> 1462337386.00482893 Mix (16.65577s) started
T01 << 1462337386.12016296 Mix (16.77110s) stopped
T01 << 1462337386.12026501 Density (291.89508s) stopped
T01 >> 1462337386.12040091 Hamiltonian (3329.38435s) started
T01 >> 1462337386.12042308 vbar (1.66182s) started
T01 << 1462337386.13249803 vbar (1.67389s) stopped
T01 >> 1462337386.13257408 XC 3D grid (1443.84425s) started
T01 >> 1462337386.31222391 van der Waals (1393.13291s) started
T01 >> 1462337386.35458493 semilocal (318.81872s) started
T01 << 1462337388.59276795 semilocal (321.05690s) stopped
T01 >> 1462337388.62230706 redistribute (159.07480s) started
T01 << 1462337388.99092603 redistribute (159.44342s) stopped
T01 >> 1462337388.99098206 libvdwxc nonlocal (904.64457s) started
T01 << 1462337395.32054806 libvdwxc nonlocal (910.97413s) stopped
T01 >> 1462337395.32061291 redistribute (159.44345s) started
T01 << 1462337396.07925200 redistribute (160.20209s) stopped
T01 << 1462337396.08070207 van der Waals (1402.90139s) stopped
T01 << 1462337396.25968504 XC 3D grid (1453.97137s) stopped
T01 >> 1462337396.25972509 Poisson (321.75924s) started
T01 << 1462337397.42473793 Poisson (322.92425s) stopped
T01 >> 1462337397.42478395 Hartree integrate/restrict (11.40172s) started
T01 << 1462337397.44011402 Hartree integrate/restrict (11.41705s) stopped
T01 >> 1462337397.44017911 Hartree integrate/restrict (11.41709s) started
T01 << 1462337397.50383091 Hartree integrate/restrict (11.48074s) stopped
T01 >> 1462337397.52551198 Atomic (892.08742s) started
T01 >> 1462337397.53547502 XC Correction (890.30442s) started
T01 << 1462337403.89925003 XC Correction (896.66820s) stopped
T01 << 1462337403.90228295 Atomic (898.46419s) stopped
T01 >> 1462337403.90239692 Communicate (655.49434s) started
T01 << 1462337408.58761811 Communicate (660.17956s) stopped
T01 << 1462337408.58764195 Hamiltonian (3351.85159s) stopped
T01 >> 1462337408.58770609 LCAO eigensolver (1201.07081s) started
T01 >> 1462337408.58771896 Potential matrix (37.92560s) started
T01 << 1462337408.84187889 Potential matrix (38.17976s) stopped
T01 >> 1462337408.84194112 DistributedAtomicCorrection (201.51732s) started
T01 << 1462337410.13586712 DistributedAtomicCorrection (202.81124s) stopped
T01 >> 1462337410.13592410 Distribute overlap matrix (169.12172s) started
T01 >> 1462337410.13594389 blocked summation (160.28476s) started
T01 << 1462337411.29129195 blocked summation (161.44010s) stopped
T01 >> 1462337411.29209995 Scalapack redistribute (8.61574s) started
T01 << 1462337411.34928012 Scalapack redistribute (8.67292s) stopped
T01 << 1462337411.34935808 Distribute overlap matrix (170.33516s) stopped
T01 >> 1462337411.34993505 Blacs Orbital Layouts (409.77074s) started
T01 >> 1462337411.35113406 General diagonalize (401.71098s) started
T01 << 1462337413.99528694 General diagonalize (404.35514s) stopped
T01 >> 1462337413.99533701 Redistribute coefs (0.42885s) started
T01 << 1462337413.99755692 Redistribute coefs (0.43107s) stopped
T01 >> 1462337413.99764109 Send coefs to domains (7.41005s) started
T01 << 1462337414.04650402 Send coefs to domains (7.45892s) stopped
T01 << 1462337414.04675388 Blacs Orbital Layouts (412.46756s) stopped
T01 >> 1462337414.04680300 Calculate projections (382.60816s) started
T01 << 1462337416.56819892 Calculate projections (385.12956s) stopped
T01 << 1462337416.56826401 LCAO eigensolver (1209.05137s) stopped
T01 >> 1462337416.56895995 Density (291.89510s) started
T01 >> 1462337416.56897306 Pseudo density (240.32507s) started
T01 >> 1462337416.56932497 Calculate density matrix (215.74213s) started
T01 << 1462337418.06703496 Calculate density matrix (217.23984s) stopped
T01 >> 1462337418.06710601 Construct density (24.21300s) started
T01 << 1462337418.23544502 Construct density (24.38134s) stopped
T01 >> 1462337418.23656702 Symmetrize density (0.00608s) started
T01 << 1462337418.23659897 Symmetrize density (0.00611s) stopped
T01 << 1462337418.23695993 Pseudo density (241.99306s) stopped
T01 >> 1462337418.23697996 Atomic density matrices (34.12222s) started
T01 << 1462337418.47386599 Atomic density matrices (34.35911s) stopped
T01 >> 1462337418.47389889 Multipole moments (0.51889s) started
T01 << 1462337418.47777700 Multipole moments (0.52277s) stopped
T01 >> 1462337418.47779894 Normalize (0.14853s) started
T01 << 1462337418.47878408 Normalize (0.14952s) stopped
T01 >> 1462337418.47881508 Mix (16.77120s) started
T01 << 1462337418.59341788 Mix (16.88580s) stopped
T01 << 1462337418.59348607 Density (293.91962s) stopped
T01 >> 1462337418.59359193 Hamiltonian (3351.85160s) started
T01 >> 1462337418.59362602 vbar (1.67394s) started
T01 << 1462337418.60608912 vbar (1.68640s) stopped
T01 >> 1462337418.60619092 XC 3D grid (1453.97140s) started
T01 >> 1462337418.78543806 van der Waals (1402.90146s) started
T01 >> 1462337418.82753897 semilocal (321.05696s) started
T01 << 1462337421.06408405 semilocal (323.29351s) stopped
T01 >> 1462337421.09295011 redistribute (160.20213s) started
T01 << 1462337421.47054410 redistribute (160.57972s) stopped
T01 >> 1462337421.47059894 libvdwxc nonlocal (910.97417s) started
T01 << 1462337427.77814293 libvdwxc nonlocal (917.28171s) stopped
T01 >> 1462337427.77821994 redistribute (160.57975s) started
T01 << 1462337428.52469897 redistribute (161.32623s) stopped
T01 << 1462337428.52582598 van der Waals (1412.64184s) stopped
T01 << 1462337428.70431900 XC 3D grid (1464.06953s) stopped
T01 >> 1462337428.70436811 Poisson (322.92429s) started
T01 << 1462337430.43657708 Poisson (324.65650s) stopped
T01 >> 1462337430.43665791 Hartree integrate/restrict (11.48079s) started
T01 << 1462337430.45200205 Hartree integrate/restrict (11.49613s) stopped
T01 >> 1462337430.45210505 Hartree integrate/restrict (11.49620s) started
T01 << 1462337430.51651502 Hartree integrate/restrict (11.56061s) stopped
T01 >> 1462337430.53742599 Atomic (898.46421s) started
T01 >> 1462337430.54745197 XC Correction (896.66822s) started
T01 << 1462337436.86685109 XC Correction (902.98761s) stopped
T01 << 1462337436.86987305 Atomic (904.79665s) stopped
T01 >> 1462337436.86998701 Communicate (660.17958s) started
T01 << 1462337441.60870504 Communicate (664.91829s) stopped
T01 << 1462337441.60872889 Hamiltonian (3374.86674s) stopped
T01 >> 1462337441.60879111 LCAO eigensolver (1209.05138s) started
T01 >> 1462337441.60880399 Potential matrix (38.17980s) started
T01 << 1462337441.86186504 Potential matrix (38.43286s) stopped
T01 >> 1462337441.86192894 DistributedAtomicCorrection (202.81127s) started
T01 << 1462337443.16086197 DistributedAtomicCorrection (204.11021s) stopped
T01 >> 1462337443.16091895 Distribute overlap matrix (170.33517s) started
T01 >> 1462337443.16093898 blocked summation (161.44014s) started
T01 << 1462337444.31481099 blocked summation (162.59401s) stopped
T01 >> 1462337444.31559992 Scalapack redistribute (8.67295s) started
T01 << 1462337444.37512493 Scalapack redistribute (8.73247s) stopped
T01 << 1462337444.37520194 Distribute overlap matrix (171.54945s) stopped
T01 >> 1462337444.37578011 Blacs Orbital Layouts (412.46757s) started
T01 >> 1462337444.37637806 General diagonalize (404.35517s) started
T01 << 1462337446.99112296 General diagonalize (406.96991s) stopped
T01 >> 1462337446.99117303 Redistribute coefs (0.43110s) started
T01 << 1462337446.99433088 Redistribute coefs (0.43426s) stopped
T01 >> 1462337446.99436998 Send coefs to domains (7.45895s) started
T01 << 1462337447.04332089 Send coefs to domains (7.50790s) stopped
T01 << 1462337447.04336500 Blacs Orbital Layouts (415.13516s) stopped
T01 >> 1462337447.04341006 Calculate projections (385.12961s) started
T01 << 1462337449.56505489 Calculate projections (387.65125s) stopped
T01 << 1462337449.56511903 LCAO eigensolver (1217.00771s) stopped
T01 >> 1462337449.56582093 Density (293.91964s) started
T01 >> 1462337449.56583309 Pseudo density (241.99308s) started
T01 >> 1462337449.56618595 Calculate density matrix (217.23987s) started
T01 << 1462337451.07138610 Calculate density matrix (218.74507s) stopped
T01 >> 1462337451.07145095 Construct density (24.38137s) started
T01 << 1462337451.23926401 Construct density (24.54918s) stopped
T01 >> 1462337451.24039006 Symmetrize density (0.00613s) started
T01 << 1462337451.24042010 Symmetrize density (0.00616s) stopped
T01 << 1462337451.24078488 Pseudo density (243.66803s) stopped
T01 >> 1462337451.24080491 Atomic density matrices (34.35913s) started
T01 << 1462337451.47851396 Atomic density matrices (34.59684s) stopped
T01 >> 1462337451.47854710 Multipole moments (0.52279s) started
T01 << 1462337451.48241806 Multipole moments (0.52666s) stopped
T01 >> 1462337451.48243999 Normalize (0.14954s) started
T01 << 1462337451.48341799 Normalize (0.15052s) stopped
T01 >> 1462337451.48344707 Mix (16.88587s) started
T01 << 1462337451.60018706 Mix (17.00261s) stopped
T01 << 1462337451.60027409 Density (295.95409s) stopped
T01 >> 1462337451.60046911 Hamiltonian (3374.86675s) started
T01 >> 1462337451.60049009 vbar (1.68646s) started
T01 << 1462337451.61274505 vbar (1.69872s) stopped
T01 >> 1462337451.61283112 XC 3D grid (1464.06956s) started
T01 >> 1462337451.78509593 van der Waals (1412.64190s) started
T01 >> 1462337451.82828689 semilocal (323.29359s) started
T01 << 1462337454.08250809 semilocal (325.54781s) stopped
T01 >> 1462337454.11632895 redistribute (161.32626s) started
T01 << 1462337454.49821901 redistribute (161.70815s) stopped
T01 >> 1462337454.49827504 libvdwxc nonlocal (917.28176s) started
T01 << 1462337460.88361907 libvdwxc nonlocal (923.66710s) stopped
T01 >> 1462337460.88368297 redistribute (161.70819s) started
T01 << 1462337461.61303592 redistribute (162.43754s) stopped
T01 << 1462337461.61425090 van der Waals (1422.47105s) stopped
T01 << 1462337461.79238296 XC 3D grid (1474.24912s) stopped
T01 >> 1462337461.79242110 Poisson (324.65656s) started
T01 << 1462337463.52094889 Poisson (326.38509s) stopped
T01 >> 1462337463.52100801 Hartree integrate/restrict (11.56066s) started
T01 << 1462337463.53634906 Hartree integrate/restrict (11.57600s) stopped
T01 >> 1462337463.53639007 Hartree integrate/restrict (11.57603s) started
T01 << 1462337463.59990597 Hartree integrate/restrict (11.63954s) stopped
T01 >> 1462337463.62155700 Atomic (904.79667s) started
T01 >> 1462337463.63148189 XC Correction (902.98764s) started
T01 << 1462337469.91155791 XC Correction (909.26771s) stopped
T01 << 1462337469.91458201 Atomic (911.08969s) stopped
T01 >> 1462337469.91470194 Communicate (664.91831s) started
T01 << 1462337474.71788096 Communicate (669.72149s) stopped
T01 << 1462337474.71790409 Hamiltonian (3397.98419s) stopped
T01 >> 1462337474.71796489 LCAO eigensolver (1217.00772s) started
T01 >> 1462337474.71797800 Potential matrix (38.43289s) started
T01 << 1462337474.97090697 Potential matrix (38.68582s) stopped
T01 >> 1462337474.97096992 DistributedAtomicCorrection (204.11024s) started
T01 << 1462337476.26556492 DistributedAtomicCorrection (205.40483s) stopped
T01 >> 1462337476.26562500 Distribute overlap matrix (171.54946s) started
T01 >> 1462337476.26564598 blocked summation (162.59404s) started
T01 << 1462337477.43526506 blocked summation (163.76366s) stopped
T01 >> 1462337477.43606091 Scalapack redistribute (8.73250s) started
T01 << 1462337477.49518204 Scalapack redistribute (8.79163s) stopped
T01 << 1462337477.49525690 Distribute overlap matrix (172.77910s) stopped
T01 >> 1462337477.49583292 Blacs Orbital Layouts (415.13517s) started
T01 >> 1462337477.49717903 General diagonalize (406.96995s) started
T01 << 1462337480.12181592 General diagonalize (409.59458s) stopped
T01 >> 1462337480.12186694 Redistribute coefs (0.43429s) started
T01 << 1462337480.12505603 Redistribute coefs (0.43748s) stopped
T01 >> 1462337480.12509394 Send coefs to domains (7.50793s) started
T01 << 1462337480.17456794 Send coefs to domains (7.55741s) stopped
T01 << 1462337480.17482305 Blacs Orbital Layouts (417.81416s) stopped
T01 >> 1462337480.17486906 Calculate projections (387.65130s) started
T01 << 1462337482.69599700 Calculate projections (390.17243s) stopped
T01 << 1462337482.69606400 LCAO eigensolver (1224.98582s) stopped
T01 >> 1462337482.69672203 Density (295.95417s) started
T01 >> 1462337482.69673491 Pseudo density (243.66804s) started
T01 >> 1462337482.69707298 Calculate density matrix (218.74511s) started
T01 << 1462337484.19668698 Calculate density matrix (220.24472s) stopped
T01 >> 1462337484.19675589 Construct density (24.54922s) started
T01 << 1462337484.36470509 Construct density (24.71717s) stopped
T01 >> 1462337484.36584496 Symmetrize density (0.00617s) started
T01 << 1462337484.36587501 Symmetrize density (0.00620s) stopped
T01 << 1462337484.36623001 Pseudo density (245.33754s) stopped
T01 >> 1462337484.36624908 Atomic density matrices (34.59686s) started
T01 << 1462337484.60342503 Atomic density matrices (34.83404s) stopped
T01 >> 1462337484.60345888 Multipole moments (0.52667s) started
T01 << 1462337484.60737300 Multipole moments (0.53059s) stopped
T01 >> 1462337484.60739493 Normalize (0.15054s) started
T01 << 1462337484.60837007 Normalize (0.15151s) stopped
T01 >> 1462337484.60840011 Mix (17.00269s) started
T01 << 1462337484.72363591 Mix (17.11792s) stopped
T01 << 1462337484.72371292 Density (297.98116s) stopped
T01 >> 1462337484.72382307 Hamiltonian (3397.98420s) started
T01 >> 1462337484.72384405 vbar (1.69877s) started
T01 << 1462337484.73627090 vbar (1.71119s) stopped
T01 >> 1462337484.73636103 XC 3D grid (1474.24914s) started
T01 >> 1462337484.90699196 van der Waals (1422.47109s) started
T01 >> 1462337484.95028996 semilocal (325.54790s) started
T01 << 1462337487.20055103 semilocal (327.79816s) stopped
T01 >> 1462337487.23095202 redistribute (162.43757s) started
T01 << 1462337487.59855700 redistribute (162.80518s) stopped
T01 >> 1462337487.59861708 libvdwxc nonlocal (923.66714s) started
T01 << 1462337493.90754199 libvdwxc nonlocal (929.97607s) stopped
T01 >> 1462337493.90761089 redistribute (162.80521s) started
T01 << 1462337494.65152502 redistribute (163.54912s) stopped
T01 << 1462337494.65294099 van der Waals (1432.21704s) stopped
T01 << 1462337494.83055711 XC 3D grid (1484.34334s) stopped
T01 >> 1462337494.83059812 Poisson (326.38513s) started
T01 << 1462337496.56164598 Poisson (328.11618s) stopped
T01 >> 1462337496.56169891 Hartree integrate/restrict (11.63957s) started
T01 << 1462337496.57690001 Hartree integrate/restrict (11.65477s) stopped
T01 >> 1462337496.57695699 Hartree integrate/restrict (11.65481s) started
T01 << 1462337496.64113998 Hartree integrate/restrict (11.71899s) stopped
T01 >> 1462337496.66301703 Atomic (911.08971s) started
T01 >> 1462337496.67286611 XC Correction (909.26773s) started
T01 << 1462337502.91437888 XC Correction (915.50924s) stopped
T01 << 1462337502.91738200 Atomic (917.34408s) stopped
T01 >> 1462337502.91750097 Communicate (669.72151s) started
T01 << 1462337507.75276899 Communicate (674.55677s) stopped
T01 << 1462337507.75279498 Hamiltonian (3421.01317s) stopped
T01 >> 1462337507.75286388 LCAO eigensolver (1224.98583s) started
T01 >> 1462337507.75287795 Potential matrix (38.68586s) started
T01 << 1462337508.00678492 Potential matrix (38.93977s) stopped
T01 >> 1462337508.00685000 DistributedAtomicCorrection (205.40486s) started
T01 << 1462337509.29739308 DistributedAtomicCorrection (206.69540s) stopped
T01 >> 1462337509.29744911 Distribute overlap matrix (172.77911s) started
T01 >> 1462337509.29746890 blocked summation (163.76369s) started
T01 << 1462337510.46120691 blocked summation (164.92743s) stopped
T01 >> 1462337510.46208811 Scalapack redistribute (8.79166s) started
T01 << 1462337510.52113509 Scalapack redistribute (8.85070s) stopped
T01 << 1462337510.52121305 Distribute overlap matrix (174.00287s) stopped
T01 >> 1462337510.52178788 Blacs Orbital Layouts (417.81418s) started
T01 >> 1462337510.52307701 General diagonalize (409.59461s) started
T01 << 1462337513.15212202 General diagonalize (412.22366s) stopped
T01 >> 1462337513.15217304 Redistribute coefs (0.43751s) started
T01 << 1462337513.15523911 Redistribute coefs (0.44058s) stopped
T01 >> 1462337513.15527606 Send coefs to domains (7.55744s) started
T01 << 1462337513.20372295 Send coefs to domains (7.60589s) stopped
T01 << 1462337513.20397210 Blacs Orbital Layouts (420.49636s) stopped
T01 >> 1462337513.20401597 Calculate projections (390.17248s) started
T01 << 1462337515.72519708 Calculate projections (392.69366s) stopped
T01 << 1462337515.72526312 LCAO eigensolver (1232.95823s) stopped
T01 >> 1462337515.72593999 Density (297.98117s) started
T01 >> 1462337515.72595191 Pseudo density (245.33755s) started
T01 >> 1462337515.72630310 Calculate density matrix (220.24476s) started
T01 << 1462337517.25626111 Calculate density matrix (221.77472s) stopped
T01 >> 1462337517.25633407 Construct density (24.71720s) started
T01 << 1462337517.42451096 Construct density (24.88538s) stopped
T01 >> 1462337517.42565298 Symmetrize density (0.00621s) started
T01 << 1462337517.42568111 Symmetrize density (0.00624s) stopped
T01 << 1462337517.42604089 Pseudo density (247.03764s) stopped
T01 >> 1462337517.42608404 Atomic density matrices (34.83406s) started
T01 << 1462337517.66364288 Atomic density matrices (35.07162s) stopped
T01 >> 1462337517.66367602 Multipole moments (0.53060s) started
T01 << 1462337517.66757298 Multipole moments (0.53450s) stopped
T01 >> 1462337517.66759491 Normalize (0.15154s) started
T01 << 1462337517.66857910 Normalize (0.15252s) stopped
T01 >> 1462337517.66862106 Mix (17.11800s) started
T01 << 1462337517.78433704 Mix (17.23371s) stopped
T01 << 1462337517.78442907 Density (300.03966s) stopped
T01 >> 1462337517.78455400 Hamiltonian (3421.01318s) started
T01 >> 1462337517.78457499 vbar (1.71125s) started
T01 << 1462337517.79662395 vbar (1.72330s) stopped
T01 >> 1462337517.79671192 XC 3D grid (1484.34337s) started
T01 >> 1462337517.96821094 van der Waals (1432.21710s) started
T01 >> 1462337518.01211596 semilocal (327.79825s) started
T01 << 1462337520.24885011 semilocal (330.03499s) stopped
T01 >> 1462337520.27829409 redistribute (163.54916s) started
T01 << 1462337520.66049099 redistribute (163.93136s) stopped
T01 >> 1462337520.66054606 libvdwxc nonlocal (929.97610s) started
T01 << 1462337526.98921609 libvdwxc nonlocal (936.30477s) stopped
T01 >> 1462337526.98929000 redistribute (163.93139s) started
T01 << 1462337527.73336506 redistribute (164.67546s) stopped
T01 << 1462337527.73471308 van der Waals (1441.98360s) stopped
T01 << 1462337527.91471195 XC 3D grid (1494.46137s) stopped
T01 >> 1462337527.91476989 Poisson (328.11622s) started
T01 << 1462337529.63303900 Poisson (329.83449s) stopped
T01 >> 1462337529.63312292 Hartree integrate/restrict (11.71903s) started
T01 << 1462337529.64835906 Hartree integrate/restrict (11.73426s) stopped
T01 >> 1462337529.64849591 Hartree integrate/restrict (11.73436s) started
T01 << 1462337529.71198893 Hartree integrate/restrict (11.79786s) stopped
T01 >> 1462337529.73115492 Atomic (917.34409s) started
T01 >> 1462337529.74107695 XC Correction (915.50926s) started
T01 << 1462337536.01278710 XC Correction (921.78097s) stopped
T01 << 1462337536.01578808 Atomic (923.62873s) stopped
T01 >> 1462337536.01590109 Communicate (674.55679s) started
T01 << 1462337540.83487511 Communicate (679.37576s) stopped
T01 << 1462337540.83489895 Hamiltonian (3444.06353s) stopped
T01 >> 1462337540.83496094 LCAO eigensolver (1232.95824s) started
T01 >> 1462337540.83497500 Potential matrix (38.93980s) started
T01 << 1462337541.08784389 Potential matrix (39.19267s) stopped
T01 >> 1462337541.08790588 DistributedAtomicCorrection (206.69543s) started
T01 << 1462337542.37841606 DistributedAtomicCorrection (207.98594s) stopped
T01 >> 1462337542.37847090 Distribute overlap matrix (174.00288s) started
T01 >> 1462337542.37849212 blocked summation (164.92747s) started
T01 << 1462337543.55063105 blocked summation (166.09960s) stopped
T01 >> 1462337543.55151391 Scalapack redistribute (8.85073s) started
T01 << 1462337543.61067510 Scalapack redistribute (8.90990s) stopped
T01 << 1462337543.61075497 Distribute overlap matrix (175.23517s) stopped
T01 >> 1462337543.61132002 Blacs Orbital Layouts (420.49638s) started
T01 >> 1462337543.61281991 General diagonalize (412.22369s) started
T01 << 1462337546.23037100 General diagonalize (414.84124s) stopped
T01 >> 1462337546.23042202 Redistribute coefs (0.44061s) started
T01 << 1462337546.23346305 Redistribute coefs (0.44365s) stopped
T01 >> 1462337546.23350000 Send coefs to domains (7.60592s) started
T01 << 1462337546.28247499 Send coefs to domains (7.65489s) stopped
T01 << 1462337546.28272605 Blacs Orbital Layouts (423.16778s) stopped
T01 >> 1462337546.28277302 Calculate projections (392.69371s) started
T01 << 1462337548.80404210 Calculate projections (395.21497s) stopped
T01 << 1462337548.80410695 LCAO eigensolver (1240.92739s) stopped
T01 << 1462337548.80479693 SCF-cycle (4985.15336s) stopped
T01 >> 1462337549.65691495 Force calculation (143.80316s) started
T01 >> 1462337549.65696812 LCAO forces (92.03061s) started
T01 >> 1462337549.65730000 Initial (0.00011s) started
T01 << 1462337549.65731096 Initial (0.00012s) stopped
T01 >> 1462337549.66171694 Get density matrix (17.48078s) started
T01 << 1462337550.24311399 Get density matrix (18.06218s) stopped
T01 >> 1462337550.24317288 Potential (6.70827s) started
T01 << 1462337551.58050609 Potential (8.04561s) stopped
T01 >> 1462337551.58056688 Get density matrix (18.06220s) started
T01 << 1462337554.53678703 Get density matrix (21.01842s) stopped
T01 >> 1462337554.53691292 Prepare TCI loop (9.52561s) started
T01 >> 1462337554.53737307 Get neighbors (7.99795s) started
T01 << 1462337556.17691398 Get neighbors (9.63749s) stopped
T01 >> 1462337556.17714500 broadcast dH (1.52424s) started
T01 << 1462337556.52852392 broadcast dH (1.87562s) stopped
T01 << 1462337556.52856588 Prepare TCI loop (11.51726s) stopped
T01 >> 1462337556.52858496 Not so complicated loop (12.73143s) started
T01 << 1462337559.07647300 Not so complicated loop (15.27932s) stopped
T01 >> 1462337559.17573905 Complicated loop (44.96958s) started
T01 << 1462337568.21050596 Complicated loop (54.00435s) stopped
T01 >> 1462337568.21900702 Wait for sum (0.00025s) started
T01 << 1462337568.21904707 Wait for sum (0.00029s) stopped
T01 << 1462337568.21905994 LCAO forces (110.59270s) stopped
T01 << 1462337578.44380403 Force calculation (172.59005s) stopped
T01 >> 1462337578.46113706 Initialization (296.59069s) started
T01 << 1462337578.46129990 Initialization (296.59085s) stopped
T01 >> 1462337578.46151304 Initialization (296.59087s) started
T01 << 1462337578.46164799 Initialization (296.59101s) stopped
T01 >> 1462337578.46178198 Initialization (296.59102s) started
T01 << 1462337578.46191001 Initialization (296.59115s) stopped
T01 >> 1462337598.86384797 Initialization (296.59117s) started
T01 >> 1462337598.86548090 Basic WFS set positions (0.54945s) started
T01 >> 1462337598.86550212 Redistribute (0.01233s) started
T01 << 1462337598.87263107 Redistribute (0.01946s) stopped
T01 << 1462337598.97339201 Basic WFS set positions (0.65736s) stopped
T01 >> 1462337598.97342205 Basis functions set positions (2.57517s) started
T01 << 1462337599.37854409 Basis functions set positions (2.98030s) stopped
T01 >> 1462337599.37983894 TCI: Calculate S, T, P (87.37169s) started
T01 << 1462337614.17640400 TCI: Calculate S, T, P (102.16826s) stopped
T01 >> 1462337614.17648005 blocked summation (23.31289s) started
T01 << 1462337618.21083212 blocked summation (27.34724s) stopped
T01 >> 1462337618.21276307 Scalapack redistribute (0.93150s) started
T01 << 1462337618.27004004 Scalapack redistribute (0.98878s) stopped
T01 >> 1462337618.27041602 blocked summation (27.34727s) started
T01 << 1462337618.44833302 blocked summation (27.52519s) stopped
T01 >> 1462337618.45019388 Scalapack redistribute (0.98883s) started
T01 << 1462337618.50324011 Scalapack redistribute (1.04187s) stopped
T01 >> 1462337618.50432611 Redistribute (0.00972s) started
T01 << 1462337618.50533891 Redistribute (0.01073s) stopped
T01 >> 1462337619.43045998 Redistribute (0.01075s) started
T01 << 1462337619.43188906 Redistribute (0.01218s) stopped
T01 >> 1462337619.43985891 LCAO WFS Initialize (174.20703s) started
T01 >> 1462337619.43988299 Density initialize from wavefunctions (5.95148s) started
T01 >> 1462337619.44023991 Calculate density matrix (3.46495s) started
T01 << 1462337620.13763595 Calculate density matrix (4.16235s) stopped
T01 >> 1462337620.13768792 Construct density (0.83966s) started
T01 << 1462337620.30572200 Construct density (1.00770s) stopped
T01 >> 1462337620.30699492 Symmetrize density (0.00020s) started
T01 << 1462337620.30702496 Symmetrize density (0.00023s) stopped
T01 << 1462337620.63640499 Density initialize from wavefunctions (7.14801s) stopped
T01 >> 1462337620.63702893 Hamiltonian (168.05779s) started
T01 >> 1462337620.63706803 vbar (0.07338s) started
T01 << 1462337620.64952397 vbar (0.08584s) stopped
T01 >> 1462337620.64961004 XC 3D grid (60.36720s) started
T01 >> 1462337620.82796097 van der Waals (58.24986s) started
T01 >> 1462337620.86970091 semilocal (13.38679s) started
T01 << 1462337623.10759902 semilocal (15.62468s) stopped
T01 >> 1462337623.13616490 redistribute (6.60144s) started
T01 << 1462337623.51433492 redistribute (6.97961s) stopped
T01 >> 1462337623.51439190 libvdwxc nonlocal (37.81953s) started
T01 << 1462337629.85041809 libvdwxc nonlocal (44.15556s) stopped
T01 >> 1462337629.85047793 redistribute (6.97966s) started
T01 << 1462337630.59403610 redistribute (7.72322s) stopped
T01 << 1462337630.59508801 van der Waals (68.01699s) stopped
T01 << 1462337630.77396607 XC 3D grid (70.49155s) stopped
T01 >> 1462337630.77400398 Poisson (30.23743s) started
T01 << 1462337635.34961009 Poisson (34.81304s) stopped
T01 >> 1462337635.34966493 Hartree integrate/restrict (0.47313s) started
T01 << 1462337635.36497211 Hartree integrate/restrict (0.48844s) stopped
T01 >> 1462337635.36502004 Hartree integrate/restrict (0.48847s) started
T01 << 1462337635.42712808 Hartree integrate/restrict (0.55058s) stopped
T01 >> 1462337635.44951105 Atomic (40.07573s) started
T01 >> 1462337635.45930195 XC Correction (40.00065s) started
T01 << 1462337641.88171601 XC Correction (46.42307s) stopped
T01 << 1462337641.88469601 Atomic (46.51091s) stopped
T01 >> 1462337641.88487792 Communicate (36.67889s) started
T01 << 1462337648.30413890 Communicate (43.09815s) stopped
T01 << 1462337648.30416298 Hamiltonian (195.72493s) stopped
T01 << 1462337648.30420494 LCAO WFS Initialize (203.07138s) stopped
T01 << 1462337648.31621003 Initialization (346.04353s) stopped
T01 >> 1462337648.33991194 SCF-cycle (4985.15337s) started
T01 >> 1462337648.33994508 LCAO eigensolver (1240.92740s) started
T01 >> 1462337648.33995795 Potential matrix (39.19271s) started
T01 << 1462337648.59377289 Potential matrix (39.44652s) stopped
T01 >> 1462337648.59383798 DistributedAtomicCorrection (207.98597s) started
T01 << 1462337649.88543797 DistributedAtomicCorrection (209.27757s) stopped
T01 >> 1462337649.88549805 Distribute overlap matrix (175.23518s) started
T01 >> 1462337649.88551998 blocked summation (166.09964s) started
T01 << 1462337651.02136588 blocked summation (167.23549s) stopped
T01 >> 1462337651.02225399 Scalapack redistribute (8.90992s) started
T01 << 1462337651.08109307 Scalapack redistribute (8.96876s) stopped
T01 << 1462337651.08116698 Distribute overlap matrix (176.43085s) stopped
T01 >> 1462337651.08173990 Blacs Orbital Layouts (423.16780s) started
T01 >> 1462337651.08230996 General diagonalize (414.84127s) started
T01 << 1462337653.73819995 General diagonalize (417.49716s) stopped
T01 >> 1462337653.73824000 Redistribute coefs (0.44368s) started
T01 << 1462337653.74096799 Redistribute coefs (0.44640s) stopped
T01 >> 1462337653.74100590 Send coefs to domains (7.65492s) started
T01 << 1462337653.78976393 Send coefs to domains (7.70368s) stopped
T01 << 1462337653.78980899 Blacs Orbital Layouts (425.87587s) stopped
T01 >> 1462337653.78983092 Calculate projections (395.21502s) started
T01 << 1462337656.27407503 Calculate projections (397.69927s) stopped
T01 << 1462337656.27414107 LCAO eigensolver (1248.86160s) stopped
T01 >> 1462337656.27489996 Density (300.03967s) started
T01 >> 1462337656.27491212 Pseudo density (247.03768s) started
T01 >> 1462337656.27524710 Calculate density matrix (221.77475s) started
T01 << 1462337657.82581210 Calculate density matrix (223.32532s) stopped
T01 >> 1462337657.82586408 Construct density (24.88541s) started
T01 << 1462337657.99399900 Construct density (25.05354s) stopped
T01 >> 1462337657.99528289 Symmetrize density (0.00625s) started
T01 << 1462337657.99531293 Symmetrize density (0.00628s) stopped
T01 << 1462337657.99569392 Pseudo density (248.75846s) stopped
T01 >> 1462337657.99571300 Atomic density matrices (35.07165s) started
T01 << 1462337658.23079896 Atomic density matrices (35.30673s) stopped
T01 >> 1462337658.23083210 Multipole moments (0.53451s) started
T01 << 1462337658.23488402 Multipole moments (0.53857s) stopped
T01 >> 1462337658.23490596 Normalize (0.15255s) started
T01 << 1462337658.23587394 Normalize (0.15352s) stopped
T01 >> 1462337658.23590994 Mix (17.23380s) started
T01 << 1462337658.33774209 Mix (17.33563s) stopped
T01 << 1462337658.33783793 Density (302.10261s) stopped
T01 >> 1462337658.33794308 Hamiltonian (3444.06354s) started
T01 >> 1462337658.33796310 vbar (1.72335s) started
T01 << 1462337658.35029888 vbar (1.73569s) stopped
T01 >> 1462337658.35040212 XC 3D grid (1494.46142s) started
T01 >> 1462337658.52278090 van der Waals (1441.98366s) started
T01 >> 1462337658.56671810 semilocal (330.03504s) started
T01 << 1462337660.83166099 semilocal (332.29998s) stopped
T01 >> 1462337660.86170912 redistribute (164.67550s) started
T01 << 1462337661.23599601 redistribute (165.04979s) stopped
T01 >> 1462337661.23605204 libvdwxc nonlocal (936.30482s) started
T01 << 1462337667.53947210 libvdwxc nonlocal (942.60824s) stopped
T01 >> 1462337667.53952098 redistribute (165.04982s) started
T01 << 1462337668.27943397 redistribute (165.78973s) stopped
T01 << 1462337668.28052306 van der Waals (1451.74140s) stopped
T01 << 1462337668.45907092 XC 3D grid (1504.57009s) stopped
T01 >> 1462337668.45912504 Poisson (329.83456s) started
T01 << 1462337670.76423407 Poisson (332.13967s) stopped
T01 >> 1462337670.76428795 Hartree integrate/restrict (11.79788s) started
T01 << 1462337670.77950597 Hartree integrate/restrict (11.81310s) stopped
T01 >> 1462337670.77962589 Hartree integrate/restrict (11.81318s) started
T01 << 1462337670.84091401 Hartree integrate/restrict (11.87446s) stopped
T01 >> 1462337670.86553097 Atomic (923.62874s) started
T01 >> 1462337670.87520194 XC Correction (921.78100s) started
T01 << 1462337677.31678104 XC Correction (928.22257s) stopped
T01 << 1462337677.31970692 Atomic (930.08292s) stopped
T01 >> 1462337677.31982708 Communicate (679.37578s) started
T01 << 1462337683.15785694 Communicate (685.21381s) stopped
T01 << 1462337683.15788293 Hamiltonian (3468.88348s) stopped
T01 >> 1462337683.15794802 LCAO eigensolver (1248.86161s) started
T01 >> 1462337683.15796089 Potential matrix (39.44656s) started
T01 << 1462337683.41543794 Potential matrix (39.70404s) stopped
T01 >> 1462337683.41550207 DistributedAtomicCorrection (209.27761s) started
T01 << 1462337684.71210408 DistributedAtomicCorrection (210.57421s) stopped
T01 >> 1462337684.71216512 Distribute overlap matrix (176.43086s) started
T01 >> 1462337684.71218610 blocked summation (167.23552s) started
T01 << 1462337685.84608793 blocked summation (168.36942s) stopped
T01 >> 1462337685.84689689 Scalapack redistribute (8.96879s) started
T01 << 1462337685.90218806 Scalapack redistribute (9.02408s) stopped
T01 << 1462337685.90226102 Distribute overlap matrix (177.62095s) stopped
T01 >> 1462337685.90284610 Blacs Orbital Layouts (425.87588s) started
T01 >> 1462337685.90341592 General diagonalize (417.49720s) started
T01 << 1462337688.53356099 General diagonalize (420.12734s) stopped
T01 >> 1462337688.53361511 Redistribute coefs (0.44643s) started
T01 << 1462337688.53633690 Redistribute coefs (0.44916s) stopped
T01 >> 1462337688.53640604 Send coefs to domains (7.70372s) started
T01 << 1462337688.58168197 Send coefs to domains (7.74899s) stopped
T01 << 1462337688.58172894 Blacs Orbital Layouts (428.55476s) stopped
T01 >> 1462337688.58177090 Calculate projections (397.69931s) started
T01 << 1462337691.06632590 Calculate projections (400.18387s) stopped
T01 << 1462337691.06639099 LCAO eigensolver (1256.77005s) stopped
T01 >> 1462337691.06700897 Density (302.10263s) started
T01 >> 1462337691.06702089 Pseudo density (248.75847s) started
T01 >> 1462337691.06735492 Calculate density matrix (223.32535s) started
T01 << 1462337692.61258698 Calculate density matrix (224.87058s) stopped
T01 >> 1462337692.61265111 Construct density (25.05358s) started
T01 << 1462337692.78076410 Construct density (25.22169s) stopped
T01 >> 1462337692.78187394 Symmetrize density (0.00629s) started
T01 << 1462337692.78190398 Symmetrize density (0.00632s) stopped
T01 << 1462337692.78227806 Pseudo density (250.47373s) stopped
T01 >> 1462337692.78229809 Atomic density matrices (35.30675s) started
T01 << 1462337693.01641393 Atomic density matrices (35.54087s) stopped
T01 >> 1462337693.01644802 Multipole moments (0.53858s) started
T01 << 1462337693.02048206 Multipole moments (0.54262s) stopped
T01 >> 1462337693.02050400 Normalize (0.15355s) started
T01 << 1462337693.02147007 Normalize (0.15451s) stopped
T01 >> 1462337693.02150702 Mix (17.33572s) started
T01 << 1462337693.12762499 Mix (17.44184s) stopped
T01 << 1462337693.12772012 Density (304.16334s) stopped
T01 >> 1462337693.12782907 Hamiltonian (3468.88349s) started
T01 >> 1462337693.12784910 vbar (1.73574s) started
T01 << 1462337693.13974500 vbar (1.74764s) stopped
T01 >> 1462337693.13983107 XC 3D grid (1504.57013s) started
T01 >> 1462337693.31721711 van der Waals (1451.74145s) started
T01 >> 1462337693.35996294 semilocal (332.30002s) started
T01 << 1462337695.60829091 semilocal (334.54835s) stopped
T01 >> 1462337695.63785195 redistribute (165.78977s) started
T01 << 1462337696.00423908 redistribute (166.15616s) stopped
T01 >> 1462337696.00429296 libvdwxc nonlocal (942.60827s) started
T01 << 1462337702.35547400 libvdwxc nonlocal (948.95946s) stopped
T01 >> 1462337702.35553789 redistribute (166.15619s) started
T01 << 1462337703.08959389 redistribute (166.89024s) stopped
T01 << 1462337703.09072208 van der Waals (1461.51495s) stopped
T01 << 1462337703.27178597 XC 3D grid (1514.70209s) stopped
T01 >> 1462337703.27182388 Poisson (332.13971s) started
T01 << 1462337705.57034492 Poisson (334.43823s) stopped
T01 >> 1462337705.57039905 Hartree integrate/restrict (11.87451s) started
T01 << 1462337705.58573604 Hartree integrate/restrict (11.88985s) stopped
T01 >> 1462337705.58578205 Hartree integrate/restrict (11.88988s) started
T01 << 1462337705.64710093 Hartree integrate/restrict (11.95120s) stopped
T01 >> 1462337705.67026901 Atomic (930.08293s) started
T01 >> 1462337705.67970896 XC Correction (928.22260s) started
T01 << 1462337711.83876491 XC Correction (934.38165s) stopped
T01 << 1462337711.84170604 Atomic (936.25437s) stopped
T01 >> 1462337711.84182405 Communicate (685.21383s) started
T01 << 1462337717.42082810 Communicate (690.79283s) stopped
T01 << 1462337717.42085195 Hamiltonian (3493.17652s) stopped
T01 >> 1462337717.42091489 LCAO eigensolver (1256.77007s) started
T01 >> 1462337717.42092896 Potential matrix (39.70407s) started
T01 << 1462337717.67429805 Potential matrix (39.95744s) stopped
T01 >> 1462337717.67436504 DistributedAtomicCorrection (210.57424s) started
T01 << 1462337718.96976805 DistributedAtomicCorrection (211.86964s) stopped
T01 >> 1462337718.96982694 Distribute overlap matrix (177.62097s) started
T01 >> 1462337718.96984792 blocked summation (168.36945s) started
T01 << 1462337720.10222602 blocked summation (169.50183s) stopped
T01 >> 1462337720.10303402 Scalapack redistribute (9.02412s) started
T01 << 1462337720.15957499 Scalapack redistribute (9.08066s) stopped
T01 << 1462337720.15965009 Distribute overlap matrix (178.81079s) stopped
T01 >> 1462337720.16022396 Blacs Orbital Layouts (428.55478s) started
T01 >> 1462337720.16079497 General diagonalize (420.12737s) started
T01 << 1462337722.76897812 General diagonalize (422.73555s) stopped
T01 >> 1462337722.76902008 Redistribute coefs (0.44919s) started
T01 << 1462337722.77152205 Redistribute coefs (0.45169s) stopped
T01 >> 1462337722.77156091 Send coefs to domains (7.74903s) started
T01 << 1462337722.81896091 Send coefs to domains (7.79643s) stopped
T01 << 1462337722.81900907 Blacs Orbital Layouts (431.21356s) stopped
T01 >> 1462337722.81904888 Calculate projections (400.18391s) started
T01 << 1462337725.30385399 Calculate projections (402.66872s) stopped
T01 << 1462337725.30392194 LCAO eigensolver (1264.65307s) stopped
T01 >> 1462337725.30460691 Density (304.16336s) started
T01 >> 1462337725.30462003 Pseudo density (250.47374s) started
T01 >> 1462337725.30495811 Calculate density matrix (224.87063s) started
T01 << 1462337726.85918999 Calculate density matrix (226.42486s) stopped
T01 >> 1462337726.85926294 Construct density (25.22173s) started
T01 << 1462337727.02723193 Construct density (25.38970s) stopped
T01 >> 1462337727.02834010 Symmetrize density (0.00633s) started
T01 << 1462337727.02837205 Symmetrize density (0.00637s) stopped
T01 << 1462337727.02873993 Pseudo density (252.19786s) stopped
T01 >> 1462337727.02875996 Atomic density matrices (35.54089s) started
T01 << 1462337727.26429105 Atomic density matrices (35.77642s) stopped
T01 >> 1462337727.26432395 Multipole moments (0.54263s) started
T01 << 1462337727.26831007 Multipole moments (0.54662s) stopped
T01 >> 1462337727.26833296 Normalize (0.15454s) started
T01 << 1462337727.26929688 Normalize (0.15551s) stopped
T01 >> 1462337727.26932693 Mix (17.44193s) started
T01 << 1462337727.37696099 Mix (17.54957s) stopped
T01 << 1462337727.37705708 Density (306.23582s) stopped
T01 >> 1462337727.37716007 Hamiltonian (3493.17653s) started
T01 >> 1462337727.37717891 vbar (1.74769s) started
T01 << 1462337727.38968301 vbar (1.76019s) stopped
T01 >> 1462337727.38977194 XC 3D grid (1514.70212s) started
T01 >> 1462337727.56756210 van der Waals (1461.51499s) started
T01 >> 1462337727.61003804 semilocal (334.54842s) started
T01 << 1462337729.85737205 semilocal (336.79576s) stopped
T01 >> 1462337729.88588691 redistribute (166.89028s) started
T01 << 1462337730.25498605 redistribute (167.25938s) stopped
T01 >> 1462337730.25503993 libvdwxc nonlocal (948.95949s) started
T01 << 1462337736.55419493 libvdwxc nonlocal (955.25864s) stopped
T01 >> 1462337736.55426407 redistribute (167.25941s) started
T01 << 1462337737.29512191 redistribute (168.00027s) stopped
T01 << 1462337737.29615498 van der Waals (1471.24358s) stopped
T01 << 1462337737.47649097 XC 3D grid (1524.78884s) stopped
T01 >> 1462337737.47652793 Poisson (334.43827s) started
T01 << 1462337739.77645612 Poisson (336.73820s) stopped
T01 >> 1462337739.77650309 Hartree integrate/restrict (11.95125s) started
T01 << 1462337739.79195404 Hartree integrate/restrict (11.96670s) stopped
T01 >> 1462337739.79199195 Hartree integrate/restrict (11.96672s) started
T01 << 1462337739.85298800 Hartree integrate/restrict (12.02772s) stopped
T01 >> 1462337739.87810898 Atomic (936.25439s) started
T01 >> 1462337739.88757110 XC Correction (934.38167s) started
T01 << 1462337745.94032502 XC Correction (940.43443s) stopped
T01 << 1462337745.94326901 Atomic (942.31955s) stopped
T01 >> 1462337745.94338799 Communicate (690.79285s) started
T01 << 1462337750.97851896 Communicate (695.82798s) stopped
T01 << 1462337750.97854304 Hamiltonian (3516.77791s) stopped
T01 >> 1462337750.97861409 LCAO eigensolver (1264.65309s) started
T01 >> 1462337750.97862911 Potential matrix (39.95748s) started
T01 << 1462337751.23256207 Potential matrix (40.21141s) stopped
T01 >> 1462337751.23263001 DistributedAtomicCorrection (211.86967s) started
T01 << 1462337752.51779103 DistributedAtomicCorrection (213.15483s) stopped
T01 >> 1462337752.51785111 Distribute overlap matrix (178.81080s) started
T01 >> 1462337752.51787090 blocked summation (169.50187s) started
T01 << 1462337753.66155410 blocked summation (170.64555s) stopped
T01 >> 1462337753.66233802 Scalapack redistribute (9.08069s) started
T01 << 1462337753.71440291 Scalapack redistribute (9.13276s) stopped
T01 << 1462337753.71450210 Distribute overlap matrix (180.00745s) stopped
T01 >> 1462337753.71521211 Blacs Orbital Layouts (431.21357s) started
T01 >> 1462337753.71599507 General diagonalize (422.73559s) started
T01 << 1462337756.33441496 General diagonalize (425.35401s) stopped
T01 >> 1462337756.33446407 Redistribute coefs (0.45172s) started
T01 << 1462337756.33690691 Redistribute coefs (0.45416s) stopped
T01 >> 1462337756.33697891 Send coefs to domains (7.79646s) started
T01 << 1462337756.38538098 Send coefs to domains (7.84486s) stopped
T01 << 1462337756.38542509 Blacs Orbital Layouts (433.88378s) stopped
T01 >> 1462337756.38546395 Calculate projections (402.66877s) started
T01 << 1462337758.87072802 Calculate projections (405.15403s) stopped
T01 << 1462337758.87079406 LCAO eigensolver (1272.54527s) stopped
T01 >> 1462337758.87164092 Density (306.23583s) started
T01 >> 1462337758.87165308 Pseudo density (252.19788s) started
T01 >> 1462337758.87199712 Calculate density matrix (226.42489s) started
T01 << 1462337760.44430995 Calculate density matrix (227.99721s) stopped
T01 >> 1462337760.44437695 Construct density (25.38973s) started
T01 << 1462337760.61237097 Construct density (25.55772s) stopped
T01 >> 1462337760.61369610 Symmetrize density (0.00638s) started
T01 << 1462337760.61372495 Symmetrize density (0.00641s) stopped
T01 << 1462337760.61408901 Pseudo density (253.94031s) stopped
T01 >> 1462337760.61410809 Atomic density matrices (35.77645s) started
T01 << 1462337760.84946299 Atomic density matrices (36.01180s) stopped
T01 >> 1462337760.84949589 Multipole moments (0.54663s) started
T01 << 1462337760.85350394 Multipole moments (0.55064s) stopped
T01 >> 1462337760.85352612 Normalize (0.15553s) started
T01 << 1462337760.85449505 Normalize (0.15650s) stopped
T01 >> 1462337760.85453200 Mix (17.54966s) started
T01 << 1462337760.97113895 Mix (17.66626s) stopped
T01 << 1462337760.97117901 Density (308.33537s) stopped
T01 >> 1462337760.97124910 Hamiltonian (3516.77792s) started
T01 >> 1462337760.97126698 vbar (1.76025s) started
T01 << 1462337760.98085809 vbar (1.76984s) stopped
T01 >> 1462337760.98090696 XC 3D grid (1524.78886s) started
T01 >> 1462337761.15843201 van der Waals (1471.24362s) started
T01 >> 1462337761.20097995 semilocal (336.79580s) started
T01 << 1462337763.44459105 semilocal (339.03941s) stopped
T01 >> 1462337763.47371697 redistribute (168.00031s) started
T01 << 1462337763.84276509 redistribute (168.36936s) stopped
T01 >> 1462337763.84281993 libvdwxc nonlocal (955.25868s) started
T01 << 1462337770.11656904 libvdwxc nonlocal (961.53243s) stopped
T01 >> 1462337770.11663699 redistribute (168.36939s) started
T01 << 1462337770.85144901 redistribute (169.10420s) stopped
T01 << 1462337770.85274291 van der Waals (1480.93793s) stopped
T01 << 1462337771.03035593 XC 3D grid (1534.83831s) stopped
T01 >> 1462337771.03039503 Poisson (336.73823s) started
T01 << 1462337773.33514190 Poisson (339.04298s) stopped
T01 >> 1462337773.33518791 Hartree integrate/restrict (12.02776s) started
T01 << 1462337773.35075998 Hartree integrate/restrict (12.04334s) stopped
T01 >> 1462337773.35082293 Hartree integrate/restrict (12.04338s) started
T01 << 1462337773.41160703 Hartree integrate/restrict (12.10416s) stopped
T01 >> 1462337773.43813491 Atomic (942.31956s) started
T01 >> 1462337773.44758606 XC Correction (940.43445s) started
T01 << 1462337779.53059411 XC Correction (946.51745s) stopped
T01 << 1462337779.53353405 Atomic (948.41496s) stopped
T01 >> 1462337779.53365588 Communicate (695.82800s) started
T01 << 1462337784.38230801 Communicate (700.67665s) stopped
T01 << 1462337784.38233209 Hamiltonian (3540.18901s) stopped
T01 >> 1462337784.38240004 LCAO eigensolver (1272.54528s) started
T01 >> 1462337784.38241410 Potential matrix (40.21145s) started
T01 << 1462337784.63931894 Potential matrix (40.46835s) stopped
T01 >> 1462337784.63937902 DistributedAtomicCorrection (213.15486s) started
T01 << 1462337785.93278289 DistributedAtomicCorrection (214.44827s) stopped
T01 >> 1462337785.93284297 Distribute overlap matrix (180.00746s) started
T01 >> 1462337785.93286204 blocked summation (170.64558s) started
T01 << 1462337787.08053207 blocked summation (171.79325s) stopped
T01 >> 1462337787.08138394 Scalapack redistribute (9.13281s) started
T01 << 1462337787.13957310 Scalapack redistribute (9.19100s) stopped
T01 << 1462337787.13964391 Distribute overlap matrix (181.21426s) stopped
T01 >> 1462337787.14022589 Blacs Orbital Layouts (433.88380s) started
T01 >> 1462337787.14075494 General diagonalize (425.35404s) started
T01 << 1462337789.79607391 General diagonalize (428.00936s) stopped
T01 >> 1462337789.79612398 Redistribute coefs (0.45419s) started
T01 << 1462337789.79863000 Redistribute coefs (0.45670s) stopped
T01 >> 1462337789.79869890 Send coefs to domains (7.84490s) started
T01 << 1462337789.84661603 Send coefs to domains (7.89282s) stopped
T01 << 1462337789.84666109 Blacs Orbital Layouts (436.59023s) stopped
T01 >> 1462337789.84670210 Calculate projections (405.15408s) started
T01 << 1462337792.33162403 Calculate projections (407.63900s) stopped
T01 << 1462337792.33169007 LCAO eigensolver (1280.49457s) stopped
T01 >> 1462337792.33239293 Density (308.33538s) started
T01 >> 1462337792.33240604 Pseudo density (253.94033s) started
T01 >> 1462337792.33276296 Calculate density matrix (227.99724s) started
T01 << 1462337793.85970402 Calculate density matrix (229.52418s) stopped
T01 >> 1462337793.85975790 Construct density (25.55778s) started
T01 << 1462337794.02754402 Construct density (25.72557s) stopped
T01 >> 1462337794.02866912 Symmetrize density (0.00642s) started
T01 << 1462337794.02869797 Symmetrize density (0.00645s) stopped
T01 << 1462337794.02905989 Pseudo density (255.63698s) stopped
T01 >> 1462337794.02907991 Atomic density matrices (36.01183s) started
T01 << 1462337794.26360798 Atomic density matrices (36.24635s) stopped
T01 >> 1462337794.26364112 Multipole moments (0.55066s) started
T01 << 1462337794.26763296 Multipole moments (0.55465s) stopped
T01 >> 1462337794.26765490 Normalize (0.15653s) started
T01 << 1462337794.26859999 Normalize (0.15747s) stopped
T01 >> 1462337794.26864004 Mix (17.66630s) started
T01 << 1462337794.38859296 Mix (17.78626s) stopped
T01 << 1462337794.38871002 Density (310.39170s) stopped
T01 >> 1462337794.38879991 Hamiltonian (3540.18902s) started
T01 >> 1462337794.38881898 vbar (1.76986s) started
T01 << 1462337794.39835906 vbar (1.77940s) stopped
T01 >> 1462337794.39844799 XC 3D grid (1534.83834s) started
T01 >> 1462337794.56946301 van der Waals (1480.93798s) started
T01 >> 1462337794.61254692 semilocal (339.03946s) started
T01 << 1462337796.82284904 semilocal (341.24977s) stopped
T01 >> 1462337796.85836601 redistribute (169.10424s) started
T01 << 1462337797.26034498 redistribute (169.50622s) stopped
T01 >> 1462337797.26039910 libvdwxc nonlocal (961.53247s) started
T01 << 1462337803.57294893 libvdwxc nonlocal (967.84502s) stopped
T01 >> 1462337803.57300901 redistribute (169.50625s) started
T01 << 1462337804.30324507 redistribute (170.23648s) stopped
T01 << 1462337804.30404806 van der Waals (1490.67257s) stopped
T01 << 1462337804.48537707 XC 3D grid (1544.92527s) stopped
T01 >> 1462337804.48541403 Poisson (339.04301s) started
T01 << 1462337806.77594495 Poisson (341.33354s) stopped
T01 >> 1462337806.77599406 Hartree integrate/restrict (12.10420s) started
T01 << 1462337806.79168010 Hartree integrate/restrict (12.11989s) stopped
T01 >> 1462337806.79171991 Hartree integrate/restrict (12.11991s) started
T01 << 1462337806.85204697 Hartree integrate/restrict (12.18024s) stopped
T01 >> 1462337806.87774897 Atomic (948.41498s) started
T01 >> 1462337806.88731289 XC Correction (946.51748s) started
T01 << 1462337813.14340806 XC Correction (952.77357s) stopped
T01 << 1462337813.14638400 Atomic (954.68362s) stopped
T01 >> 1462337813.14650202 Communicate (700.67667s) started
T01 << 1462337817.82291389 Communicate (705.35308s) stopped
T01 << 1462337817.82294106 Hamiltonian (3563.62316s) stopped
T01 >> 1462337817.82300901 LCAO eigensolver (1280.49458s) started
T01 >> 1462337817.82302308 Potential matrix (40.46839s) started
T01 << 1462337818.07782793 Potential matrix (40.72319s) stopped
T01 >> 1462337818.07788801 DistributedAtomicCorrection (214.44829s) started
T01 << 1462337819.37871289 DistributedAtomicCorrection (215.74912s) stopped
T01 >> 1462337819.37877202 Distribute overlap matrix (181.21428s) started
T01 >> 1462337819.37879300 blocked summation (171.79329s) started
T01 << 1462337820.48068690 blocked summation (172.89518s) stopped
T01 >> 1462337820.48151207 Scalapack redistribute (9.19102s) started
T01 << 1462337820.54042506 Scalapack redistribute (9.24994s) stopped
T01 << 1462337820.54049397 Distribute overlap matrix (182.37600s) stopped
T01 >> 1462337820.54106903 Blacs Orbital Layouts (436.59024s) started
T01 >> 1462337820.54159093 General diagonalize (428.00939s) started
T01 << 1462337823.12477994 General diagonalize (430.59258s) stopped
T01 >> 1462337823.12483001 Redistribute coefs (0.45673s) started
T01 << 1462337823.12738895 Redistribute coefs (0.45929s) stopped
T01 >> 1462337823.12745905 Send coefs to domains (7.89285s) started
T01 << 1462337823.17496395 Send coefs to domains (7.94035s) stopped
T01 << 1462337823.17500591 Blacs Orbital Layouts (439.22418s) stopped
T01 >> 1462337823.17504597 Calculate projections (407.63905s) started
T01 << 1462337825.66047502 Calculate projections (410.12448s) stopped
T01 << 1462337825.66054296 LCAO eigensolver (1288.33211s) stopped
T01 >> 1462337825.66123390 Density (310.39172s) started
T01 >> 1462337825.66124606 Pseudo density (255.63700s) started
T01 >> 1462337825.66158295 Calculate density matrix (229.52422s) started
T01 << 1462337827.19070005 Calculate density matrix (231.05333s) stopped
T01 >> 1462337827.19076610 Construct density (25.72560s) started
T01 << 1462337827.35874104 Construct density (25.89357s) stopped
T01 >> 1462337827.35985088 Symmetrize density (0.00646s) started
T01 << 1462337827.35988307 Symmetrize density (0.00649s) stopped
T01 << 1462337827.36024594 Pseudo density (257.33600s) stopped
T01 >> 1462337827.36026502 Atomic density matrices (36.24638s) started
T01 << 1462337827.59467292 Atomic density matrices (36.48078s) stopped
T01 >> 1462337827.59470701 Multipole moments (0.55467s) started
T01 << 1462337827.59867597 Multipole moments (0.55864s) stopped
T01 >> 1462337827.59869790 Normalize (0.15750s) started
T01 << 1462337827.59966993 Normalize (0.15848s) stopped
T01 >> 1462337827.59970093 Mix (17.78637s) started
T01 << 1462337827.71789408 Mix (17.90456s) stopped
T01 << 1462337827.71799994 Density (312.44848s) stopped
T01 >> 1462337827.71811390 Hamiltonian (3563.62317s) started
T01 >> 1462337827.71813297 vbar (1.77946s) started
T01 << 1462337827.72857094 vbar (1.78989s) stopped
T01 >> 1462337827.72866392 XC 3D grid (1544.92530s) started
T01 >> 1462337827.91374397 van der Waals (1490.67259s) started
T01 >> 1462337827.95414209 semilocal (341.24984s) started
T01 << 1462337830.19182110 semilocal (343.48752s) stopped
T01 >> 1462337830.22040796 redistribute (170.23653s) started
T01 << 1462337830.59424400 redistribute (170.61037s) stopped
T01 >> 1462337830.59430099 libvdwxc nonlocal (967.84505s) started
T01 << 1462337836.87385011 libvdwxc nonlocal (974.12460s) stopped
T01 >> 1462337836.87392092 redistribute (170.61040s) started
T01 << 1462337837.59221792 redistribute (171.32870s) stopped
T01 << 1462337837.59292698 van der Waals (1500.35177s) stopped
T01 << 1462337837.77645111 XC 3D grid (1554.97309s) stopped
T01 >> 1462337837.77649307 Poisson (341.33358s) started
T01 << 1462337840.08746290 Poisson (343.64455s) stopped
T01 >> 1462337840.08753610 Hartree integrate/restrict (12.18029s) started
T01 << 1462337840.10252404 Hartree integrate/restrict (12.19527s) stopped
T01 >> 1462337840.10256505 Hartree integrate/restrict (12.19530s) started
T01 << 1462337840.16296506 Hartree integrate/restrict (12.25570s) stopped
T01 >> 1462337840.18966293 Atomic (954.68363s) started
T01 >> 1462337840.19942689 XC Correction (952.77359s) started
T01 << 1462337846.35320997 XC Correction (958.92738s) stopped
T01 << 1462337846.35616207 Atomic (960.85013s) stopped
T01 >> 1462337846.35628104 Communicate (705.35310s) started
T01 << 1462337851.13570690 Communicate (710.13252s) stopped
T01 << 1462337851.13573003 Hamiltonian (3587.04079s) stopped
T01 >> 1462337851.13579202 LCAO eigensolver (1288.33213s) started
T01 >> 1462337851.13580608 Potential matrix (40.72322s) started
T01 << 1462337851.38839293 Potential matrix (40.97581s) stopped
T01 >> 1462337851.38845491 DistributedAtomicCorrection (215.74915s) started
T01 << 1462337852.69793105 DistributedAtomicCorrection (217.05862s) stopped
T01 >> 1462337852.69799209 Distribute overlap matrix (182.37601s) started
T01 >> 1462337852.69801211 blocked summation (172.89522s) started
T01 << 1462337853.81521297 blocked summation (174.01242s) stopped
T01 >> 1462337853.81603408 Scalapack redistribute (9.24996s) started
T01 << 1462337853.86790991 Scalapack redistribute (9.30184s) stopped
T01 << 1462337853.86800599 Distribute overlap matrix (183.54603s) stopped
T01 >> 1462337853.86879206 Blacs Orbital Layouts (439.22419s) started
T01 >> 1462337853.86957693 General diagonalize (430.59261s) started
T01 << 1462337856.47398901 General diagonalize (433.19702s) stopped
T01 >> 1462337856.47404003 Redistribute coefs (0.45931s) started
T01 << 1462337856.47641993 Redistribute coefs (0.46169s) stopped
T01 >> 1462337856.47649407 Send coefs to domains (7.94039s) started
T01 << 1462337856.52574897 Send coefs to domains (7.98964s) stopped
T01 << 1462337856.52579403 Blacs Orbital Layouts (441.88119s) stopped
T01 >> 1462337856.52583694 Calculate projections (410.12453s) started
T01 << 1462337859.01137495 Calculate projections (412.61006s) stopped
T01 << 1462337859.01144004 LCAO eigensolver (1296.20777s) stopped
T01 >> 1462337859.01229191 Density (312.44850s) started
T01 >> 1462337859.01230407 Pseudo density (257.33601s) started
T01 >> 1462337859.01264906 Calculate density matrix (231.05337s) started
T01 << 1462337860.54163790 Calculate density matrix (232.58236s) stopped
T01 >> 1462337860.54170394 Construct density (25.89361s) started
T01 << 1462337860.70974994 Construct density (26.06165s) stopped
T01 >> 1462337860.71104908 Symmetrize density (0.00650s) started
T01 << 1462337860.71107888 Symmetrize density (0.00653s) stopped
T01 << 1462337860.71143889 Pseudo density (259.03515s) stopped
T01 >> 1462337860.71145892 Atomic density matrices (36.48081s) started
T01 << 1462337860.94837189 Atomic density matrices (36.71772s) stopped
T01 >> 1462337860.94840503 Multipole moments (0.55865s) started
T01 << 1462337860.95238495 Multipole moments (0.56263s) stopped
T01 >> 1462337860.95240688 Normalize (0.15850s) started
T01 << 1462337860.95336294 Normalize (0.15946s) stopped
T01 >> 1462337860.95340395 Mix (17.90466s) started
T01 << 1462337861.07415891 Mix (18.02542s) stopped
T01 << 1462337861.07424212 Density (314.51045s) stopped
T01 >> 1462337861.07434011 Hamiltonian (3587.04080s) started
T01 >> 1462337861.07435989 vbar (1.78995s) started
T01 << 1462337861.08361602 vbar (1.79921s) stopped
T01 >> 1462337861.08367205 XC 3D grid (1554.97312s) started
T01 >> 1462337861.26314402 van der Waals (1500.35179s) started
T01 >> 1462337861.30586195 semilocal (343.48757s) started
T01 << 1462337863.54871106 semilocal (345.73042s) stopped
T01 >> 1462337863.57849693 redistribute (171.32873s) started
T01 << 1462337863.94704604 redistribute (171.69728s) stopped
T01 >> 1462337863.94710112 libvdwxc nonlocal (974.12464s) started
T01 << 1462337870.23642993 libvdwxc nonlocal (980.41397s) stopped
T01 >> 1462337870.23650002 redistribute (171.69731s) started
T01 << 1462337870.96012497 redistribute (172.42093s) stopped
T01 << 1462337870.96098590 van der Waals (1510.04963s) stopped
T01 << 1462337871.14290500 XC 3D grid (1565.03235s) stopped
T01 >> 1462337871.14294291 Poisson (343.64460s) started
T01 << 1462337873.44851494 Poisson (345.95017s) stopped
T01 >> 1462337873.44856191 Hartree integrate/restrict (12.25574s) started
T01 << 1462337873.46386600 Hartree integrate/restrict (12.27104s) stopped
T01 >> 1462337873.46393800 Hartree integrate/restrict (12.27109s) started
T01 << 1462337873.52484798 Hartree integrate/restrict (12.33200s) stopped
T01 >> 1462337873.55101204 Atomic (960.85015s) started
T01 >> 1462337873.56062603 XC Correction (958.92740s) started
T01 << 1462337879.70275092 XC Correction (965.06952s) stopped
T01 << 1462337879.70572901 Atomic (967.00486s) stopped
T01 >> 1462337879.70584893 Communicate (710.13254s) started
T01 << 1462337884.58562803 Communicate (715.01232s) stopped
T01 << 1462337884.58565307 Hamiltonian (3610.55212s) stopped
T01 >> 1462337884.58572006 LCAO eigensolver (1296.20778s) started
T01 >> 1462337884.58573389 Potential matrix (40.97584s) started
T01 << 1462337884.84156489 Potential matrix (41.23168s) stopped
T01 >> 1462337884.84162998 DistributedAtomicCorrection (217.05866s) started
T01 << 1462337886.13780189 DistributedAtomicCorrection (218.35483s) stopped
T01 >> 1462337886.13786101 Distribute overlap matrix (183.54604s) started
T01 >> 1462337886.13788104 blocked summation (174.01245s) started
T01 << 1462337887.27035499 blocked summation (175.14493s) stopped
T01 >> 1462337887.27121902 Scalapack redistribute (9.30189s) started
T01 << 1462337887.33155489 Scalapack redistribute (9.36222s) stopped
T01 << 1462337887.33163190 Distribute overlap matrix (184.73981s) stopped
T01 >> 1462337887.33220410 Blacs Orbital Layouts (441.88121s) started
T01 >> 1462337887.33275509 General diagonalize (433.19705s) started
T01 << 1462337889.94832706 General diagonalize (435.81263s) stopped
T01 >> 1462337889.94837689 Redistribute coefs (0.46172s) started
T01 << 1462337889.95087695 Redistribute coefs (0.46422s) stopped
T01 >> 1462337889.95094705 Send coefs to domains (7.98967s) started
T01 << 1462337889.99936390 Send coefs to domains (8.03809s) stopped
T01 << 1462337889.99940896 Blacs Orbital Layouts (444.54841s) stopped
T01 >> 1462337889.99945211 Calculate projections (412.61011s) started
T01 << 1462337892.48446798 Calculate projections (415.09513s) stopped
T01 << 1462337892.48453403 LCAO eigensolver (1304.10660s) stopped
T01 >> 1462337892.48523211 Density (314.51047s) started
T01 >> 1462337892.48524404 Pseudo density (259.03516s) started
T01 >> 1462337892.48557997 Calculate density matrix (232.58239s) started
T01 << 1462337894.01039791 Calculate density matrix (234.10721s) stopped
T01 >> 1462337894.01046491 Construct density (26.06168s) started
T01 << 1462337894.17828608 Construct density (26.22951s) stopped
T01 >> 1462337894.17939901 Symmetrize density (0.00654s) started
T01 << 1462337894.17942905 Symmetrize density (0.00657s) stopped
T01 << 1462337894.17979789 Pseudo density (260.72972s) stopped
T01 >> 1462337894.17981696 Atomic density matrices (36.71774s) started
T01 << 1462337894.41544199 Atomic density matrices (36.95337s) stopped
T01 >> 1462337894.41547608 Multipole moments (0.56265s) started
T01 << 1462337894.41948390 Multipole moments (0.56666s) stopped
T01 >> 1462337894.41950703 Normalize (0.15949s) started
T01 << 1462337894.42048812 Normalize (0.16047s) stopped
T01 >> 1462337894.42051792 Mix (18.02550s) started
T01 << 1462337894.54078603 Mix (18.14577s) stopped
T01 << 1462337894.54088593 Density (316.56612s) stopped
T01 >> 1462337894.54098892 Hamiltonian (3610.55213s) started
T01 >> 1462337894.54100800 vbar (1.79924s) started
T01 << 1462337894.55079603 vbar (1.80903s) stopped
T01 >> 1462337894.55089498 XC 3D grid (1565.03238s) started
T01 >> 1462337894.73078895 van der Waals (1510.04966s) started
T01 >> 1462337894.77458906 semilocal (345.73049s) started
T01 << 1462337897.01692295 semilocal (347.97283s) stopped
T01 >> 1462337897.04674911 redistribute (172.42097s) started
T01 << 1462337897.41607404 redistribute (172.79029s) stopped
T01 >> 1462337897.41612601 libvdwxc nonlocal (980.41401s) started
T01 << 1462337903.68879199 libvdwxc nonlocal (986.68667s) stopped
T01 >> 1462337903.68885207 redistribute (172.79032s) started
T01 << 1462337904.42152309 redistribute (173.52299s) stopped
T01 << 1462337904.42270494 van der Waals (1519.74157s) stopped
T01 << 1462337904.60121012 XC 3D grid (1575.08269s) stopped
T01 >> 1462337904.60124993 Poisson (345.95021s) started
T01 << 1462337906.91027904 Poisson (348.25924s) stopped
T01 >> 1462337906.91034889 Hartree integrate/restrict (12.33205s) started
T01 << 1462337906.92580009 Hartree integrate/restrict (12.34750s) stopped
T01 >> 1462337906.92584491 Hartree integrate/restrict (12.34753s) started
T01 << 1462337906.98549104 Hartree integrate/restrict (12.40717s) stopped
T01 >> 1462337907.01222801 Atomic (967.00488s) started
T01 >> 1462337907.02177310 XC Correction (965.06954s) started
T01 << 1462337913.24661112 XC Correction (971.29438s) stopped
T01 << 1462337913.24956799 Atomic (973.24222s) stopped
T01 >> 1462337913.24968910 Communicate (715.01233s) started
T01 << 1462337918.07005906 Communicate (719.83270s) stopped
T01 << 1462337918.07008410 Hamiltonian (3634.08122s) stopped
T01 >> 1462337918.07015300 LCAO eigensolver (1304.10661s) started
T01 >> 1462337918.07016611 Potential matrix (41.23171s) started
T01 << 1462337918.32343888 Potential matrix (41.48498s) stopped
T01 >> 1462337918.32349992 DistributedAtomicCorrection (218.35486s) started
T01 << 1462337919.62385607 DistributedAtomicCorrection (219.65521s) stopped
T01 >> 1462337919.62391591 Distribute overlap matrix (184.73982s) started
T01 >> 1462337919.62393594 blocked summation (175.14496s) started
T01 << 1462337920.75436902 blocked summation (176.27539s) stopped
T01 >> 1462337920.75521588 Scalapack redistribute (9.36225s) started
T01 << 1462337920.81518698 Scalapack redistribute (9.42223s) stopped
T01 << 1462337920.81525707 Distribute overlap matrix (185.93116s) stopped
T01 >> 1462337920.81582594 Blacs Orbital Layouts (444.54842s) started
T01 >> 1462337920.81635189 General diagonalize (435.81266s) started
T01 << 1462337923.40256906 General diagonalize (438.39887s) stopped
T01 >> 1462337923.40262294 Redistribute coefs (0.46425s) started
T01 << 1462337923.40494990 Redistribute coefs (0.46658s) stopped
T01 >> 1462337923.40502310 Send coefs to domains (8.03813s) started
T01 << 1462337923.45239592 Send coefs to domains (8.08550s) stopped
T01 << 1462337923.45244193 Blacs Orbital Layouts (447.18504s) stopped
T01 >> 1462337923.45248389 Calculate projections (415.09518s) started
T01 << 1462337925.93803310 Calculate projections (417.58072s) stopped
T01 << 1462337925.93809891 LCAO eigensolver (1311.97456s) stopped
T01 >> 1462337925.93879390 Density (316.56614s) started
T01 >> 1462337925.93880606 Pseudo density (260.72973s) started
T01 >> 1462337925.93913794 Calculate density matrix (234.10725s) started
T01 << 1462337927.46453094 Calculate density matrix (235.63264s) stopped
T01 >> 1462337927.46459699 Construct density (26.22954s) started
T01 << 1462337927.63248992 Construct density (26.39743s) stopped
T01 >> 1462337927.63361311 Symmetrize density (0.00658s) started
T01 << 1462337927.63364410 Symmetrize density (0.00661s) stopped
T01 << 1462337927.63400507 Pseudo density (262.42493s) stopped
T01 >> 1462337927.63402510 Atomic density matrices (36.95339s) started
T01 << 1462337927.86878800 Atomic density matrices (37.18816s) stopped
T01 >> 1462337927.86882091 Multipole moments (0.56667s) started
T01 << 1462337927.87282491 Multipole moments (0.57068s) stopped
T01 >> 1462337927.87284803 Normalize (0.16049s) started
T01 << 1462337927.87382102 Normalize (0.16146s) stopped
T01 >> 1462337927.87385201 Mix (18.14586s) started
T01 << 1462337927.99074292 Mix (18.26275s) stopped
T01 << 1462337927.99083805 Density (318.61818s) stopped
T01 >> 1462337927.99094892 Hamiltonian (3634.08124s) started
T01 >> 1462337927.99096799 vbar (1.80909s) started
T01 << 1462337928.00168300 vbar (1.81980s) stopped
T01 >> 1462337928.00176811 XC 3D grid (1575.08273s) started
T01 >> 1462337928.18384790 van der Waals (1519.74160s) started
T01 >> 1462337928.22619200 semilocal (347.97292s) started
T01 << 1462337930.45668888 semilocal (350.20342s) stopped
T01 >> 1462337930.48572612 redistribute (173.52303s) started
T01 << 1462337930.86335611 redistribute (173.90066s) stopped
T01 >> 1462337930.86341190 libvdwxc nonlocal (986.68671s) started
T01 << 1462337937.11830807 libvdwxc nonlocal (992.94160s) stopped
T01 >> 1462337937.11836505 redistribute (173.90069s) started
T01 << 1462337937.83999300 redistribute (174.62232s) stopped
T01 << 1462337937.84067798 van der Waals (1529.39843s) stopped
T01 << 1462337938.02320910 XC 3D grid (1585.10417s) stopped
T01 >> 1462337938.02324605 Poisson (348.25929s) started
T01 << 1462337940.31065202 Poisson (350.54669s) stopped
T01 >> 1462337940.31070089 Hartree integrate/restrict (12.40721s) started
T01 << 1462337940.32584310 Hartree integrate/restrict (12.42235s) stopped
T01 >> 1462337940.32588506 Hartree integrate/restrict (12.42238s) started
T01 << 1462337940.38710594 Hartree integrate/restrict (12.48360s) stopped
T01 >> 1462337940.41449094 Atomic (973.24224s) started
T01 >> 1462337940.42413902 XC Correction (971.29440s) started
T01 << 1462337946.58192897 XC Correction (977.45219s) stopped
T01 << 1462337946.58489799 Atomic (979.41265s) stopped
T01 >> 1462337946.58501601 Communicate (719.83272s) started
T01 << 1462337951.44528294 Communicate (724.69299s) stopped
T01 << 1462337951.44530702 Hamiltonian (3657.53559s) stopped
T01 >> 1462337951.44536805 LCAO eigensolver (1311.97457s) started
T01 >> 1462337951.44538093 Potential matrix (41.48501s) started
T01 << 1462337951.69866610 Potential matrix (41.73830s) stopped
T01 >> 1462337951.69872594 DistributedAtomicCorrection (219.65524s) started
T01 << 1462337953.00444293 DistributedAtomicCorrection (220.96096s) stopped
T01 >> 1462337953.00452709 Distribute overlap matrix (185.93117s) started
T01 >> 1462337953.00454903 blocked summation (176.27543s) started
T01 << 1462337954.12434697 blocked summation (177.39523s) stopped
T01 >> 1462337954.12513304 Scalapack redistribute (9.42225s) started
T01 << 1462337954.18552899 Scalapack redistribute (9.48265s) stopped
T01 << 1462337954.18560004 Distribute overlap matrix (187.11225s) stopped
T01 >> 1462337954.18617296 Blacs Orbital Layouts (447.18505s) started
T01 >> 1462337954.18670106 General diagonalize (438.39891s) started
T01 << 1462337956.78464007 General diagonalize (440.99685s) stopped
T01 >> 1462337956.78469110 Redistribute coefs (0.46661s) started
T01 << 1462337956.78752589 Redistribute coefs (0.46945s) stopped
T01 >> 1462337956.78759694 Send coefs to domains (8.08554s) started
T01 << 1462337956.83739710 Send coefs to domains (8.13534s) stopped
T01 << 1462337956.83744097 Blacs Orbital Layouts (449.83632s) stopped
T01 >> 1462337956.83748293 Calculate projections (417.58077s) started
T01 << 1462337959.32287097 Calculate projections (420.06616s) stopped
T01 << 1462337959.32293701 LCAO eigensolver (1319.85214s) stopped
T01 >> 1462337959.32378411 Density (318.61820s) started
T01 >> 1462337959.32379699 Pseudo density (262.42494s) started
T01 >> 1462337959.32413101 Calculate density matrix (235.63268s) started
T01 << 1462337960.85569501 Calculate density matrix (237.16424s) stopped
T01 >> 1462337960.85576105 Construct density (26.39746s) started
T01 << 1462337961.02373600 Construct density (26.56544s) stopped
T01 >> 1462337961.02501988 Symmetrize density (0.00662s) started
T01 << 1462337961.02504992 Symmetrize density (0.00665s) stopped
T01 << 1462337961.02540994 Pseudo density (264.12656s) stopped
T01 >> 1462337961.02542996 Atomic density matrices (37.18818s) started
T01 << 1462337961.26306510 Atomic density matrices (37.42581s) stopped
T01 >> 1462337961.26309800 Multipole moments (0.57069s) started
T01 << 1462337961.26708603 Multipole moments (0.57468s) stopped
T01 >> 1462337961.26710796 Normalize (0.16148s) started
T01 << 1462337961.26808310 Normalize (0.16246s) stopped
T01 >> 1462337961.26811600 Mix (18.26284s) started
T01 << 1462337961.38844109 Mix (18.38317s) stopped
T01 << 1462337961.38849211 Density (320.68291s) stopped
T01 >> 1462337961.38857388 Hamiltonian (3657.53560s) started
T01 >> 1462337961.38859105 vbar (1.81985s) started
T01 << 1462337961.39825702 vbar (1.82952s) stopped
T01 >> 1462337961.39830804 XC 3D grid (1585.10419s) started
T01 >> 1462337961.57470608 van der Waals (1529.39845s) started
T01 >> 1462337961.61737394 semilocal (350.20349s) started
T01 << 1462337963.86182904 semilocal (352.44795s) stopped
T01 >> 1462337963.89105010 redistribute (174.62237s) started
T01 << 1462337964.26156211 redistribute (174.99288s) stopped
T01 >> 1462337964.26161909 libvdwxc nonlocal (992.94163s) started
T01 << 1462337970.54408693 libvdwxc nonlocal (999.22410s) stopped
T01 >> 1462337970.54415607 redistribute (174.99291s) started
T01 << 1462337971.27198696 redistribute (175.72074s) stopped
T01 << 1462337971.27320504 van der Waals (1539.09695s) stopped
T01 << 1462337971.45172811 XC 3D grid (1595.15761s) stopped
T01 >> 1462337971.45176697 Poisson (350.54673s) started
T01 << 1462337973.19071102 Poisson (352.28567s) stopped
T01 >> 1462337973.19075990 Hartree integrate/restrict (12.48365s) started
T01 << 1462337973.20632195 Hartree integrate/restrict (12.49921s) stopped
T01 >> 1462337973.20638490 Hartree integrate/restrict (12.49925s) started
T01 << 1462337973.26789498 Hartree integrate/restrict (12.56076s) stopped
T01 >> 1462337973.29389906 Atomic (979.41266s) started
T01 >> 1462337973.30347800 XC Correction (977.45221s) started
T01 << 1462337979.45278406 XC Correction (983.60152s) stopped
T01 << 1462337979.45578098 Atomic (985.57454s) stopped
T01 >> 1462337979.45589709 Communicate (724.69300s) started
T01 << 1462337984.20924211 Communicate (729.44635s) stopped
T01 << 1462337984.20926499 Hamiltonian (3680.35630s) stopped
T01 >> 1462337984.20932508 LCAO eigensolver (1319.85215s) started
T01 >> 1462337984.20933890 Potential matrix (41.73833s) started
T01 << 1462337984.46590495 Potential matrix (41.99489s) stopped
T01 >> 1462337984.46596408 DistributedAtomicCorrection (220.96101s) started
T01 << 1462337985.76805592 DistributedAtomicCorrection (222.26310s) stopped
T01 >> 1462337985.76811600 Distribute overlap matrix (187.11226s) started
T01 >> 1462337985.76813602 blocked summation (177.39526s) started
T01 << 1462337986.90315199 blocked summation (178.53028s) stopped
T01 >> 1462337986.90401793 Scalapack redistribute (9.48268s) started
T01 << 1462337986.96344709 Scalapack redistribute (9.54211s) stopped
T01 << 1462337986.96351695 Distribute overlap matrix (188.30766s) stopped
T01 >> 1462337986.96409798 Blacs Orbital Layouts (449.83633s) started
T01 >> 1462337986.96462488 General diagonalize (440.99688s) started
T01 << 1462337989.59148788 General diagonalize (443.62374s) stopped
T01 >> 1462337989.59153795 Redistribute coefs (0.46947s) started
T01 << 1462337989.59412098 Redistribute coefs (0.47206s) stopped
T01 >> 1462337989.59418893 Send coefs to domains (8.13537s) started
T01 << 1462337989.64474797 Send coefs to domains (8.18593s) stopped
T01 << 1462337989.64478993 Blacs Orbital Layouts (452.51702s) stopped
T01 >> 1462337989.64483094 Calculate projections (420.06621s) started
T01 << 1462337992.12997198 Calculate projections (422.55135s) stopped
T01 << 1462337992.13003898 LCAO eigensolver (1327.77286s) stopped
T01 >> 1462337992.13074398 Density (320.68292s) started
T01 >> 1462337992.13075590 Pseudo density (264.12657s) started
T01 >> 1462337992.13108110 Calculate density matrix (237.16427s) started
T01 << 1462337993.66000509 Calculate density matrix (238.69320s) stopped
T01 >> 1462337993.66007304 Construct density (26.56547s) started
T01 << 1462337993.82804298 Construct density (26.73344s) stopped
T01 >> 1462337993.82916999 Symmetrize density (0.00666s) started
T01 << 1462337993.82920003 Symmetrize density (0.00669s) stopped
T01 << 1462337993.82956004 Pseudo density (265.82537s) stopped
T01 >> 1462337993.82958007 Atomic density matrices (37.42584s) started
T01 << 1462337994.06488299 Atomic density matrices (37.66114s) stopped
T01 >> 1462337994.06491590 Multipole moments (0.57469s) started
T01 << 1462337994.06893992 Multipole moments (0.57872s) stopped
T01 >> 1462337994.06896210 Normalize (0.16248s) started
T01 << 1462337994.06991410 Normalize (0.16343s) stopped
T01 >> 1462337994.06994605 Mix (18.38322s) started
T01 << 1462337994.19101691 Mix (18.50429s) stopped
T01 << 1462337994.19106603 Density (322.74324s) stopped
T01 >> 1462337994.19116306 Hamiltonian (3680.35631s) started
T01 >> 1462337994.19118309 vbar (1.82955s) started
T01 << 1462337994.20095801 vbar (1.83932s) stopped
T01 >> 1462337994.20104909 XC 3D grid (1595.15764s) started
T01 >> 1462337994.38632393 van der Waals (1539.09703s) started
T01 >> 1462337994.42739797 semilocal (352.44800s) started
T01 << 1462337996.66293812 semilocal (354.68354s) stopped
T01 >> 1462337996.69297600 redistribute (175.72078s) started
T01 << 1462337997.06243801 redistribute (176.09024s) stopped
T01 >> 1462337997.06249404 libvdwxc nonlocal (999.22414s) started
T01 << 1462338003.37985802 libvdwxc nonlocal (1005.54150s) stopped
T01 >> 1462338003.37991595 redistribute (176.09028s) started
T01 << 1462338004.11108994 redistribute (176.82145s) stopped
T01 << 1462338004.11199594 van der Waals (1548.82271s) stopped
T01 << 1462338004.29459405 XC 3D grid (1605.25119s) stopped
T01 >> 1462338004.29463792 Poisson (352.28571s) started
T01 << 1462338006.03962994 Poisson (354.03070s) stopped
T01 >> 1462338006.03968000 Hartree integrate/restrict (12.56080s) started
T01 << 1462338006.05523300 Hartree integrate/restrict (12.57636s) stopped
T01 >> 1462338006.05527091 Hartree integrate/restrict (12.57638s) started
T01 << 1462338006.12132812 Hartree integrate/restrict (12.64244s) stopped
T01 >> 1462338006.13953495 Atomic (985.57456s) started
T01 >> 1462338006.14910698 XC Correction (983.60154s) started
T01 << 1462338012.28791809 XC Correction (989.74035s) stopped
T01 << 1462338012.29091597 Atomic (991.72594s) stopped
T01 >> 1462338012.29103303 Communicate (729.44636s) started
T01 << 1462338017.25766706 Communicate (734.41300s) stopped
T01 << 1462338017.25769091 Hamiltonian (3703.42284s) stopped
T01 >> 1462338017.25775290 LCAO eigensolver (1327.77288s) started
T01 >> 1462338017.25776696 Potential matrix (41.99493s) started
T01 << 1462338017.51103902 Potential matrix (42.24820s) stopped
T01 >> 1462338017.51109791 DistributedAtomicCorrection (222.26313s) started
T01 << 1462338018.82814789 DistributedAtomicCorrection (223.58018s) stopped
T01 >> 1462338018.82820702 Distribute overlap matrix (188.30767s) started
T01 >> 1462338018.82822895 blocked summation (178.53032s) started
T01 << 1462338019.92781901 blocked summation (179.62991s) stopped
T01 >> 1462338019.92867398 Scalapack redistribute (9.54214s) started
T01 << 1462338019.98860598 Scalapack redistribute (9.60207s) stopped
T01 << 1462338019.98867702 Distribute overlap matrix (189.46814s) stopped
T01 >> 1462338019.98924708 Blacs Orbital Layouts (452.51703s) started
T01 >> 1462338019.98977590 General diagonalize (443.62377s) started
T01 << 1462338022.58534694 General diagonalize (446.21934s) stopped
T01 >> 1462338022.58539796 Redistribute coefs (0.47209s) started
T01 << 1462338022.58796000 Redistribute coefs (0.47465s) stopped
T01 >> 1462338022.58803201 Send coefs to domains (8.18596s) started
T01 << 1462338022.63726497 Send coefs to domains (8.23519s) stopped
T01 << 1462338022.63730907 Blacs Orbital Layouts (455.16509s) stopped
T01 >> 1462338022.63735008 Calculate projections (422.55140s) started
T01 << 1462338025.12263489 Calculate projections (425.03669s) stopped
T01 << 1462338025.12270403 LCAO eigensolver (1335.63783s) stopped
T01 >> 1462338025.12338996 Density (322.74326s) started
T01 >> 1462338025.12340212 Pseudo density (265.82539s) started
T01 >> 1462338025.12375402 Calculate density matrix (238.69323s) started
T01 << 1462338026.65560699 Calculate density matrix (240.22509s) stopped
T01 >> 1462338026.65567493 Construct density (26.73347s) started
T01 << 1462338026.82369709 Construct density (26.90149s) stopped
T01 >> 1462338026.82483006 Symmetrize density (0.00670s) started
T01 << 1462338026.82486010 Symmetrize density (0.00673s) stopped
T01 << 1462338026.82522011 Pseudo density (267.52721s) stopped
T01 >> 1462338026.82523894 Atomic density matrices (37.66116s) started
T01 << 1462338027.05919600 Atomic density matrices (37.89512s) stopped
T01 >> 1462338027.05922890 Multipole moments (0.57873s) started
T01 << 1462338027.06328797 Multipole moments (0.58279s) stopped
T01 >> 1462338027.06330991 Normalize (0.16346s) started
T01 << 1462338027.06427407 Normalize (0.16442s) stopped
T01 >> 1462338027.06431389 Mix (18.50434s) started
T01 << 1462338027.18103290 Mix (18.62105s) stopped
T01 << 1462338027.18113303 Density (324.80100s) stopped
T01 >> 1462338027.18123507 Hamiltonian (3703.42285s) started
T01 >> 1462338027.18125510 vbar (1.83938s) started
T01 << 1462338027.19149399 vbar (1.84961s) stopped
T01 >> 1462338027.19159889 XC 3D grid (1605.25122s) started
T01 >> 1462338027.37830997 van der Waals (1548.82273s) started
T01 >> 1462338027.41806793 semilocal (354.68362s) started
T01 << 1462338029.65344405 semilocal (356.91899s) stopped
T01 >> 1462338029.68114710 redistribute (176.82148s) started
T01 << 1462338030.06621194 redistribute (177.20655s) stopped
T01 >> 1462338030.06626606 libvdwxc nonlocal (1005.54154s) started
T01 << 1462338036.39350200 libvdwxc nonlocal (1011.86877s) stopped
T01 >> 1462338036.39355993 redistribute (177.20658s) started
T01 << 1462338037.12950397 redistribute (177.94252s) stopped
T01 << 1462338037.13028908 van der Waals (1558.57471s) stopped
T01 << 1462338037.31016207 XC 3D grid (1615.36979s) stopped
T01 >> 1462338037.31020093 Poisson (354.03074s) started
T01 << 1462338039.04807901 Poisson (355.76861s) stopped
T01 >> 1462338039.04813910 Hartree integrate/restrict (12.64248s) started
T01 << 1462338039.06318212 Hartree integrate/restrict (12.65752s) stopped
T01 >> 1462338039.06322789 Hartree integrate/restrict (12.65755s) started
T01 << 1462338039.12404490 Hartree integrate/restrict (12.71837s) stopped
T01 >> 1462338039.15020490 Atomic (991.72596s) started
T01 >> 1462338039.15986896 XC Correction (989.74039s) started
T01 << 1462338045.27746391 XC Correction (995.85798s) stopped
T01 << 1462338045.28044105 Atomic (997.85619s) stopped
T01 >> 1462338045.28055811 Communicate (734.41301s) started
T01 << 1462338050.28822398 Communicate (739.42068s) stopped
T01 << 1462338050.28824902 Hamiltonian (3726.52986s) stopped
T01 >> 1462338050.28831005 LCAO eigensolver (1335.63784s) started
T01 >> 1462338050.28832293 Potential matrix (42.24823s) started
T01 << 1462338050.54077911 Potential matrix (42.50069s) stopped
T01 >> 1462338050.54083896 DistributedAtomicCorrection (223.58021s) started
T01 << 1462338051.85209394 DistributedAtomicCorrection (224.89147s) stopped
T01 >> 1462338051.85215306 Distribute overlap matrix (189.46816s) started
T01 >> 1462338051.85217309 blocked summation (179.62994s) started
T01 << 1462338052.95698309 blocked summation (180.73475s) stopped
T01 >> 1462338052.95778108 Scalapack redistribute (9.60210s) started
T01 << 1462338053.01630211 Scalapack redistribute (9.66062s) stopped
T01 << 1462338053.01637197 Distribute overlap matrix (190.63238s) stopped
T01 >> 1462338053.01693511 Blacs Orbital Layouts (455.16510s) started
T01 >> 1462338053.01745796 General diagonalize (446.21937s) started
T01 << 1462338055.61815095 General diagonalize (448.82006s) stopped
T01 >> 1462338055.61820102 Redistribute coefs (0.47468s) started
T01 << 1462338055.62074208 Redistribute coefs (0.47722s) stopped
T01 >> 1462338055.62081289 Send coefs to domains (8.23523s) started
T01 << 1462338055.66952610 Send coefs to domains (8.28394s) stopped
T01 << 1462338055.66957092 Blacs Orbital Layouts (457.81774s) stopped
T01 >> 1462338055.66961694 Calculate projections (425.03673s) started
T01 << 1462338058.15466189 Calculate projections (427.52178s) stopped
T01 << 1462338058.15472889 LCAO eigensolver (1343.50426s) stopped
T01 >> 1462338058.15557694 Density (324.80102s) started
T01 >> 1462338058.15558910 Pseudo density (267.52722s) started
T01 >> 1462338058.15594792 Calculate density matrix (240.22512s) started
T01 << 1462338059.71031308 Calculate density matrix (241.77949s) stopped
T01 >> 1462338059.71038103 Construct density (26.90152s) started
T01 << 1462338059.87864208 Construct density (27.06978s) stopped
T01 >> 1462338059.87992811 Symmetrize density (0.00674s) started
T01 << 1462338059.87995696 Symmetrize density (0.00677s) stopped
T01 << 1462338059.88032389 Pseudo density (269.25196s) stopped
T01 >> 1462338059.88034391 Atomic density matrices (37.89514s) started
T01 << 1462338060.11719489 Atomic density matrices (38.13199s) stopped
T01 >> 1462338060.11722803 Multipole moments (0.58281s) started
T01 << 1462338060.12130690 Multipole moments (0.58689s) stopped
T01 >> 1462338060.12132907 Normalize (0.16445s) started
T01 << 1462338060.12228799 Normalize (0.16541s) stopped
T01 >> 1462338060.12232304 Mix (18.62115s) started
T01 << 1462338060.24332809 Mix (18.74216s) stopped
T01 << 1462338060.24340200 Density (326.88884s) stopped
T01 >> 1462338060.24348998 Hamiltonian (3726.52987s) started
T01 >> 1462338060.24350810 vbar (1.84968s) started
T01 << 1462338060.25291896 vbar (1.85909s) stopped
T01 >> 1462338060.25297499 XC 3D grid (1615.36982s) started
T01 >> 1462338060.43247199 van der Waals (1558.57473s) started
T01 >> 1462338060.47482610 semilocal (356.91905s) started
T01 << 1462338062.72194004 semilocal (359.16617s) stopped
T01 >> 1462338062.75126410 redistribute (177.94256s) started
T01 << 1462338063.11356091 redistribute (178.30485s) stopped
T01 >> 1462338063.11361909 libvdwxc nonlocal (1011.86880s) started
T01 << 1462338069.37933493 libvdwxc nonlocal (1018.13452s) stopped
T01 >> 1462338069.37940001 redistribute (178.30488s) started
T01 << 1462338070.10499692 redistribute (179.03048s) stopped
T01 << 1462338070.10587311 van der Waals (1568.24813s) stopped
T01 << 1462338070.28677392 XC 3D grid (1625.40362s) stopped
T01 >> 1462338070.28681207 Poisson (355.76866s) started
T01 << 1462338072.01867294 Poisson (357.50052s) stopped
T01 >> 1462338072.01874804 Hartree integrate/restrict (12.71841s) started
T01 << 1462338072.03410912 Hartree integrate/restrict (12.73378s) stopped
T01 >> 1462338072.03423810 Hartree integrate/restrict (12.73387s) started
T01 << 1462338072.09494495 Hartree integrate/restrict (12.79457s) stopped
T01 >> 1462338072.12278008 Atomic (997.85621s) started
T01 >> 1462338072.13246298 XC Correction (995.85800s) started
T01 << 1462338078.28692794 XC Correction (1002.01247s) stopped
T01 << 1462338078.28992796 Atomic (1004.02336s) stopped
T01 >> 1462338078.29004693 Communicate (739.42070s) started
T01 << 1462338083.27384210 Communicate (744.40449s) stopped
T01 << 1462338083.27386594 Hamiltonian (3749.56025s) stopped
T01 >> 1462338083.27392793 LCAO eigensolver (1343.50427s) started
T01 >> 1462338083.27394199 Potential matrix (42.50072s) started
T01 << 1462338083.53003192 Potential matrix (42.75681s) stopped
T01 >> 1462338083.53009200 DistributedAtomicCorrection (224.89149s) started
T01 << 1462338084.84272099 DistributedAtomicCorrection (226.20412s) stopped
T01 >> 1462338084.84277892 Distribute overlap matrix (190.63239s) started
T01 >> 1462338084.84279990 blocked summation (180.73479s) started
T01 << 1462338085.94129395 blocked summation (181.83328s) stopped
T01 >> 1462338085.94213295 Scalapack redistribute (9.66065s) started
T01 << 1462338086.00045896 Scalapack redistribute (9.71898s) stopped
T01 << 1462338086.00052905 Distribute overlap matrix (191.79014s) stopped
T01 >> 1462338086.00109196 Blacs Orbital Layouts (457.81775s) started
T01 >> 1462338086.00161910 General diagonalize (448.82010s) started
T01 << 1462338088.60271692 General diagonalize (451.42119s) stopped
T01 >> 1462338088.60276890 Redistribute coefs (0.47725s) started
T01 << 1462338088.60538292 Redistribute coefs (0.47987s) stopped
T01 >> 1462338088.60545397 Send coefs to domains (8.28398s) started
T01 << 1462338088.65200496 Send coefs to domains (8.33053s) stopped
T01 << 1462338088.65205097 Blacs Orbital Layouts (460.46871s) stopped
T01 >> 1462338088.65209389 Calculate projections (427.52183s) started
T01 << 1462338091.13709497 Calculate projections (430.00683s) stopped
T01 << 1462338091.13716197 LCAO eigensolver (1351.36751s) stopped
T01 >> 1462338091.13786793 Density (326.88886s) started
T01 >> 1462338091.13788009 Pseudo density (269.25197s) started
T01 >> 1462338091.13821411 Calculate density matrix (241.77953s) started
T01 << 1462338092.68871498 Calculate density matrix (243.33003s) stopped
T01 >> 1462338092.68878102 Construct density (27.06982s) started
T01 << 1462338092.85674810 Construct density (27.23778s) stopped
T01 >> 1462338092.85786390 Symmetrize density (0.00678s) started
T01 << 1462338092.85789299 Symmetrize density (0.00681s) stopped
T01 << 1462338092.85825491 Pseudo density (270.97235s) stopped
T01 >> 1462338092.85827494 Atomic density matrices (38.13202s) started
T01 << 1462338093.09329796 Atomic density matrices (38.36704s) stopped
T01 >> 1462338093.09333110 Multipole moments (0.58690s) started
T01 << 1462338093.09738803 Multipole moments (0.59096s) stopped
T01 >> 1462338093.09741092 Normalize (0.16544s) started
T01 << 1462338093.09836292 Normalize (0.16639s) stopped
T01 >> 1462338093.09840012 Mix (18.74223s) started
T01 << 1462338093.21802306 Mix (18.86185s) stopped
T01 << 1462338093.21811295 Density (328.96910s) stopped
T01 >> 1462338093.21821499 Hamiltonian (3749.56026s) started
T01 >> 1462338093.21823311 vbar (1.85912s) started
T01 << 1462338093.22822404 vbar (1.86911s) stopped
T01 >> 1462338093.22832489 XC 3D grid (1625.40365s) started
T01 >> 1462338093.40286589 van der Waals (1568.24816s) started
T01 >> 1462338093.44566393 semilocal (359.16622s) started
T01 << 1462338095.68893099 semilocal (361.40949s) stopped
T01 >> 1462338095.71989989 redistribute (179.03051s) started
T01 << 1462338096.09254789 redistribute (179.40316s) stopped
T01 >> 1462338096.09260607 libvdwxc nonlocal (1018.13455s) started
T01 << 1462338102.35229301 libvdwxc nonlocal (1024.39424s) stopped
T01 >> 1462338102.35236311 redistribute (179.40319s) started
T01 << 1462338103.08319998 redistribute (180.13403s) stopped
T01 << 1462338103.08422589 van der Waals (1577.92952s) stopped
T01 << 1462338103.26357293 XC 3D grid (1635.43889s) stopped
T01 >> 1462338103.26361489 Poisson (357.50058s) started
T01 << 1462338104.99908805 Poisson (359.23605s) stopped
T01 >> 1462338104.99914789 Hartree integrate/restrict (12.79462s) started
T01 << 1462338105.01471090 Hartree integrate/restrict (12.81018s) stopped
T01 >> 1462338105.01475000 Hartree integrate/restrict (12.81020s) started
T01 << 1462338105.07517600 Hartree integrate/restrict (12.87063s) stopped
T01 >> 1462338105.10125709 Atomic (1004.02337s) started
T01 >> 1462338105.11092496 XC Correction (1002.01249s) started
T01 << 1462338111.29579306 XC Correction (1008.19736s) stopped
T01 << 1462338111.29877090 Atomic (1010.22089s) stopped
T01 >> 1462338111.29888797 Communicate (744.40451s) started
T01 << 1462338116.23140907 Communicate (749.33703s) stopped
T01 << 1462338116.23143291 Hamiltonian (3772.57348s) stopped
T01 >> 1462338116.23149395 LCAO eigensolver (1351.36752s) started
T01 >> 1462338116.23150706 Potential matrix (42.75684s) started
T01 << 1462338116.48442006 Potential matrix (43.00976s) stopped
T01 >> 1462338116.48448205 DistributedAtomicCorrection (226.20415s) started
T01 << 1462338117.79460502 DistributedAtomicCorrection (227.51427s) stopped
T01 >> 1462338117.79466391 Distribute overlap matrix (191.79015s) started
T01 >> 1462338117.79468489 blocked summation (181.83331s) started
T01 << 1462338118.87505794 blocked summation (182.91368s) stopped
T01 >> 1462338118.87585998 Scalapack redistribute (9.71900s) started
T01 << 1462338118.93646097 Scalapack redistribute (9.77960s) stopped
T01 << 1462338118.93652892 Distribute overlap matrix (192.93201s) stopped
T01 >> 1462338118.93709111 Blacs Orbital Layouts (460.46872s) started
T01 >> 1462338118.93761802 General diagonalize (451.42123s) started
T01 << 1462338121.51665401 General diagonalize (454.00026s) stopped
T01 >> 1462338121.51670408 Redistribute coefs (0.47990s) started
T01 << 1462338121.51913095 Redistribute coefs (0.48232s) stopped
T01 >> 1462338121.51919794 Send coefs to domains (8.33056s) started
T01 << 1462338121.56772804 Send coefs to domains (8.37910s) stopped
T01 << 1462338121.56777310 Blacs Orbital Layouts (463.09940s) stopped
T01 >> 1462338121.56781912 Calculate projections (430.00688s) started
T01 << 1462338124.05274510 Calculate projections (432.49180s) stopped
T01 << 1462338124.05281210 LCAO eigensolver (1359.18884s) stopped
T01 >> 1462338124.05350494 Density (328.96912s) started
T01 >> 1462338124.05351710 Pseudo density (270.97236s) started
T01 >> 1462338124.05386305 Calculate density matrix (243.33006s) started
T01 << 1462338125.60529399 Calculate density matrix (244.88149s) stopped
T01 >> 1462338125.60536289 Construct density (27.23782s) started
T01 << 1462338125.77348089 Construct density (27.40594s) stopped
T01 >> 1462338125.77458811 Symmetrize density (0.00683s) started
T01 << 1462338125.77462006 Symmetrize density (0.00686s) stopped
T01 << 1462338125.77499795 Pseudo density (272.69384s) stopped
T01 >> 1462338125.77501798 Atomic density matrices (38.36706s) started
T01 << 1462338126.01057601 Atomic density matrices (38.60262s) stopped
T01 >> 1462338126.01061296 Multipole moments (0.59097s) started
T01 << 1462338126.01466799 Multipole moments (0.59503s) stopped
T01 >> 1462338126.01468992 Normalize (0.16642s) started
T01 << 1462338126.01564288 Normalize (0.16737s) stopped
T01 >> 1462338126.01567507 Mix (18.86194s) started
T01 << 1462338126.13308907 Mix (18.97935s) stopped
T01 << 1462338126.13313389 Density (331.04875s) stopped
T01 >> 1462338126.13321805 Hamiltonian (3772.57349s) started
T01 >> 1462338126.13323498 vbar (1.86916s) started
T01 << 1462338126.14373207 vbar (1.87966s) stopped
T01 >> 1462338126.14383101 XC 3D grid (1635.43893s) started
T01 >> 1462338126.32813191 van der Waals (1577.92954s) started
T01 >> 1462338126.37018108 semilocal (361.40959s) started
T01 << 1462338128.61157203 semilocal (363.65098s) stopped
T01 >> 1462338128.64034200 redistribute (180.13406s) started
T01 << 1462338129.01528811 redistribute (180.50901s) stopped
T01 >> 1462338129.01534295 libvdwxc nonlocal (1024.39428s) started
T01 << 1462338135.29183793 libvdwxc nonlocal (1030.67077s) stopped
T01 >> 1462338135.29190397 redistribute (180.50904s) started
T01 << 1462338136.02395296 redistribute (181.24109s) stopped
T01 << 1462338136.02469301 van der Waals (1587.62610s) stopped
T01 << 1462338136.20584297 XC 3D grid (1645.50094s) stopped
T01 >> 1462338136.20588112 Poisson (359.23609s) started
T01 << 1462338137.92942405 Poisson (360.95964s) stopped
T01 >> 1462338137.92947006 Hartree integrate/restrict (12.87067s) started
T01 << 1462338137.94471908 Hartree integrate/restrict (12.88592s) stopped
T01 >> 1462338137.94481897 Hartree integrate/restrict (12.88600s) started
T01 << 1462338138.00571108 Hartree integrate/restrict (12.94689s) stopped
T01 >> 1462338138.03037095 Atomic (1010.22090s) started
T01 >> 1462338138.04004502 XC Correction (1008.19738s) started
T01 << 1462338144.19639707 XC Correction (1014.35373s) stopped
T01 << 1462338144.19939899 Atomic (1016.38993s) stopped
T01 >> 1462338144.19952011 Communicate (749.33705s) started
T01 << 1462338149.19275093 Communicate (754.33028s) stopped
T01 << 1462338149.19277596 Hamiltonian (3795.63305s) stopped
T01 >> 1462338149.19283700 LCAO eigensolver (1359.18885s) started
T01 >> 1462338149.19285011 Potential matrix (43.00979s) started
T01 << 1462338149.44620395 Potential matrix (43.26314s) stopped
T01 >> 1462338149.44626188 DistributedAtomicCorrection (227.51430s) started
T01 << 1462338150.75580502 DistributedAtomicCorrection (228.82385s) stopped
T01 >> 1462338150.75586295 Distribute overlap matrix (192.93202s) started
T01 >> 1462338150.75588298 blocked summation (182.91372s) started
T01 << 1462338151.85042691 blocked summation (184.00826s) stopped
T01 >> 1462338151.85119605 Scalapack redistribute (9.77963s) started
T01 << 1462338151.90907311 Scalapack redistribute (9.83751s) stopped
T01 << 1462338151.90914202 Distribute overlap matrix (194.08530s) stopped
T01 >> 1462338151.90970993 Blacs Orbital Layouts (463.09941s) started
T01 >> 1462338151.91023493 General diagonalize (454.00029s) started
T01 << 1462338154.55152512 General diagonalize (456.64158s) stopped
T01 >> 1462338154.55157495 Redistribute coefs (0.48235s) started
T01 << 1462338154.55448103 Redistribute coefs (0.48526s) stopped
T01 >> 1462338154.55455303 Send coefs to domains (8.37913s) started
T01 << 1462338154.60231495 Send coefs to domains (8.42689s) stopped
T01 << 1462338154.60236001 Blacs Orbital Layouts (465.79206s) stopped
T01 >> 1462338154.60240293 Calculate projections (432.49185s) started
T01 << 1462338157.08754396 Calculate projections (434.97700s) stopped
T01 << 1462338157.08761191 LCAO eigensolver (1367.08362s) stopped
T01 >> 1462338157.08847904 Density (331.04876s) started
T01 >> 1462338157.08849192 Pseudo density (272.69386s) started
T01 >> 1462338157.08884597 Calculate density matrix (244.88153s) started
T01 << 1462338158.64521694 Calculate density matrix (246.43790s) stopped
T01 >> 1462338158.64528704 Construct density (27.40597s) started
T01 << 1462338158.81350493 Construct density (27.57419s) stopped
T01 >> 1462338158.81476307 Symmetrize density (0.00687s) started
T01 << 1462338158.81479311 Symmetrize density (0.00690s) stopped
T01 << 1462338158.81515408 Pseudo density (274.42052s) stopped
T01 >> 1462338158.81517291 Atomic density matrices (38.60264s) started
T01 << 1462338159.05023789 Atomic density matrices (38.83771s) stopped
T01 >> 1462338159.05027199 Multipole moments (0.59504s) started
T01 << 1462338159.05431700 Multipole moments (0.59909s) stopped
T01 >> 1462338159.05433893 Normalize (0.16739s) started
T01 << 1462338159.05529094 Normalize (0.16834s) stopped
T01 >> 1462338159.05533099 Mix (18.97939s) started
T01 << 1462338159.17275310 Mix (19.09682s) stopped
T01 << 1462338159.17282200 Density (333.13311s) stopped
T01 >> 1462338159.17290497 Hamiltonian (3795.63306s) started
T01 >> 1462338159.17292404 vbar (1.87972s) started
T01 << 1462338159.18386006 vbar (1.89065s) stopped
T01 >> 1462338159.18393493 XC 3D grid (1645.50097s) started
T01 >> 1462338159.36478400 van der Waals (1587.62612s) started
T01 >> 1462338159.40730906 semilocal (363.65108s) started
T01 << 1462338161.65306902 semilocal (365.89684s) stopped
T01 >> 1462338161.68220806 redistribute (181.24114s) started
T01 << 1462338162.06312108 redistribute (181.62206s) stopped
T01 >> 1462338162.06317711 libvdwxc nonlocal (1030.67081s) started
T01 << 1462338168.33861709 libvdwxc nonlocal (1036.94625s) stopped
T01 >> 1462338168.33868289 redistribute (181.62209s) started
T01 << 1462338169.07208395 redistribute (182.35549s) stopped
T01 << 1462338169.07328010 van der Waals (1597.33461s) stopped
T01 << 1462338169.25461698 XC 3D grid (1655.57165s) stopped
T01 >> 1462338169.25465488 Poisson (360.95967s) started
T01 << 1462338170.97519302 Poisson (362.68021s) stopped
T01 >> 1462338170.97524500 Hartree integrate/restrict (12.94693s) started
T01 << 1462338170.99032688 Hartree integrate/restrict (12.96202s) stopped
T01 >> 1462338170.99045205 Hartree integrate/restrict (12.96210s) started
T01 << 1462338171.05123901 Hartree integrate/restrict (13.02289s) stopped
T01 >> 1462338171.07854390 Atomic (1016.38995s) started
T01 >> 1462338171.08827806 XC Correction (1014.35375s) started
T01 << 1462338177.24421310 XC Correction (1020.50969s) stopped
T01 << 1462338177.24720907 Atomic (1022.55861s) stopped
T01 >> 1462338177.24732709 Communicate (754.33029s) started
T01 << 1462338182.23473001 Communicate (759.31770s) stopped
T01 << 1462338182.23476100 Hamiltonian (3818.69492s) stopped
T01 >> 1462338182.23484707 LCAO eigensolver (1367.08364s) started
T01 >> 1462338182.23486090 Potential matrix (43.26317s) started
T01 << 1462338182.49220896 Potential matrix (43.52052s) stopped
T01 >> 1462338182.49227309 DistributedAtomicCorrection (228.82388s) started
T01 << 1462338183.80927992 DistributedAtomicCorrection (230.14088s) stopped
T01 >> 1462338183.80933905 Distribute overlap matrix (194.08532s) started
T01 >> 1462338183.80935907 blocked summation (184.00829s) started
T01 << 1462338184.90562391 blocked summation (185.10456s) stopped
T01 >> 1462338184.90640903 Scalapack redistribute (9.83754s) started
T01 << 1462338184.95654392 Scalapack redistribute (9.88767s) stopped
T01 << 1462338184.95665503 Distribute overlap matrix (195.23263s) stopped
T01 >> 1462338184.95735097 Blacs Orbital Layouts (465.79207s) started
T01 >> 1462338184.95813704 General diagonalize (456.64161s) started
T01 << 1462338187.58336496 General diagonalize (459.26684s) stopped
T01 >> 1462338187.58341694 Redistribute coefs (0.48529s) started
T01 << 1462338187.58607793 Redistribute coefs (0.48795s) stopped
T01 >> 1462338187.58614612 Send coefs to domains (8.42693s) started
T01 << 1462338187.63370800 Send coefs to domains (8.47449s) stopped
T01 << 1462338187.63375211 Blacs Orbital Layouts (468.46848s) stopped
T01 >> 1462338187.63379312 Calculate projections (434.97704s) started
T01 << 1462338190.11888599 Calculate projections (437.46214s) stopped
T01 << 1462338190.11895108 LCAO eigensolver (1374.96774s) stopped
T01 >> 1462338190.11964703 Density (333.13312s) started
T01 >> 1462338190.11965895 Pseudo density (274.42053s) started
T01 >> 1462338190.11999297 Calculate density matrix (246.43794s) started
T01 << 1462338191.66839504 Calculate density matrix (247.98634s) stopped
T01 >> 1462338191.66846108 Construct density (27.57422s) started
T01 << 1462338191.83651400 Construct density (27.74227s) stopped
T01 >> 1462338191.83763289 Symmetrize density (0.00691s) started
T01 << 1462338191.83766389 Symmetrize density (0.00694s) stopped
T01 << 1462338191.83803511 Pseudo density (276.13891s) stopped
T01 >> 1462338191.83805490 Atomic density matrices (38.83773s) started
T01 << 1462338192.07307196 Atomic density matrices (39.07275s) stopped
T01 >> 1462338192.07310510 Multipole moments (0.59910s) started
T01 << 1462338192.07711792 Multipole moments (0.60312s) stopped
T01 >> 1462338192.07714009 Normalize (0.16837s) started
T01 << 1462338192.07809091 Normalize (0.16932s) stopped
T01 >> 1462338192.07815003 Mix (19.09688s) started
T01 << 1462338192.19838190 Mix (19.21711s) stopped
T01 << 1462338192.19847894 Density (335.21195s) stopped
T01 >> 1462338192.19857693 Hamiltonian (3818.69493s) started
T01 >> 1462338192.19859695 vbar (1.89070s) started
T01 << 1462338192.20842695 vbar (1.90053s) stopped
T01 >> 1462338192.20852709 XC 3D grid (1655.57168s) started
T01 >> 1462338192.39121890 van der Waals (1597.33464s) started
T01 >> 1462338192.43440509 semilocal (365.89689s) started
T01 << 1462338194.68461204 semilocal (368.14710s) stopped
T01 >> 1462338194.71528792 redistribute (182.35552s) started
T01 << 1462338195.08312607 redistribute (182.72336s) stopped
T01 >> 1462338195.08318090 libvdwxc nonlocal (1036.94628s) started
T01 << 1462338201.36326194 libvdwxc nonlocal (1043.22637s) stopped
T01 >> 1462338201.36334896 redistribute (182.72339s) started
T01 << 1462338202.08753610 redistribute (183.44758s) stopped
T01 << 1462338202.08857393 van der Waals (1607.03200s) stopped
T01 << 1462338202.27099609 XC 3D grid (1665.63415s) stopped
T01 >> 1462338202.27103901 Poisson (362.68025s) started
T01 << 1462338204.00717592 Poisson (364.41638s) stopped
T01 >> 1462338204.00722694 Hartree integrate/restrict (13.02293s) started
T01 << 1462338204.02286911 Hartree integrate/restrict (13.03857s) stopped
T01 >> 1462338204.02290893 Hartree integrate/restrict (13.03860s) started
T01 << 1462338204.08253694 Hartree integrate/restrict (13.09822s) stopped
T01 >> 1462338204.10976505 Atomic (1022.55863s) started
T01 >> 1462338204.11950994 XC Correction (1020.50971s) started
T01 << 1462338210.27457094 XC Correction (1026.66477s) stopped
T01 << 1462338210.27756310 Atomic (1028.72643s) stopped
T01 >> 1462338210.27768707 Communicate (759.31772s) started
T01 << 1462338215.11568809 Communicate (764.15572s) stopped
T01 << 1462338215.11571193 Hamiltonian (3841.61207s) stopped
T01 >> 1462338215.11577392 LCAO eigensolver (1374.96775s) started
T01 >> 1462338215.11578798 Potential matrix (43.52056s) started
T01 << 1462338215.36886597 Potential matrix (43.77364s) stopped
T01 >> 1462338215.36892605 DistributedAtomicCorrection (230.14091s) started
T01 << 1462338216.67672300 DistributedAtomicCorrection (231.44871s) stopped
T01 >> 1462338216.67678094 Distribute overlap matrix (195.23264s) started
T01 >> 1462338216.67680097 blocked summation (185.10459s) started
T01 << 1462338217.78245306 blocked summation (186.21024s) stopped
T01 >> 1462338217.78329110 Scalapack redistribute (9.88772s) started
T01 << 1462338217.84306908 Scalapack redistribute (9.94750s) stopped
T01 << 1462338217.84313989 Distribute overlap matrix (196.39900s) stopped
T01 >> 1462338217.84370399 Blacs Orbital Layouts (468.46849s) started
T01 >> 1462338217.84422803 General diagonalize (459.26687s) started
T01 << 1462338220.43676209 General diagonalize (461.85941s) stopped
T01 >> 1462338220.43681312 Redistribute coefs (0.48798s) started
T01 << 1462338220.43944812 Redistribute coefs (0.49061s) stopped
T01 >> 1462338220.43951511 Send coefs to domains (8.47452s) started
T01 << 1462338220.48741388 Send coefs to domains (8.52242s) stopped
T01 << 1462338220.48745990 Blacs Orbital Layouts (471.11224s) stopped
T01 >> 1462338220.48750401 Calculate projections (437.46218s) started
T01 << 1462338222.96841908 Calculate projections (439.94310s) stopped
T01 << 1462338222.96848798 LCAO eigensolver (1382.82047s) stopped
T01 >> 1462338222.96916795 Density (335.21197s) started
T01 >> 1462338222.96918106 Pseudo density (276.13892s) started
T01 >> 1462338222.96952200 Calculate density matrix (247.98637s) started
T01 << 1462338224.52775598 Calculate density matrix (249.54461s) stopped
T01 >> 1462338224.52782011 Construct density (27.74230s) started
T01 << 1462338224.69555712 Construct density (27.91004s) stopped
T01 >> 1462338224.69670200 Symmetrize density (0.00695s) started
T01 << 1462338224.69673395 Symmetrize density (0.00698s) stopped
T01 << 1462338224.69709492 Pseudo density (277.86684s) stopped
T01 >> 1462338224.69711494 Atomic density matrices (39.07277s) started
T01 << 1462338224.93178105 Atomic density matrices (39.30744s) stopped
T01 >> 1462338224.93181300 Multipole moments (0.60313s) started
T01 << 1462338224.93585610 Multipole moments (0.60718s) stopped
T01 >> 1462338224.93587804 Normalize (0.16937s) started
T01 << 1462338224.93684697 Normalize (0.17034s) stopped
T01 >> 1462338224.93687701 Mix (19.21721s) started
T01 << 1462338225.05421495 Mix (19.33455s) stopped
T01 << 1462338225.05429101 Density (337.29709s) stopped
T01 >> 1462338225.05438399 Hamiltonian (3841.61208s) started
T01 >> 1462338225.05440402 vbar (1.90058s) started
T01 << 1462338225.06472898 vbar (1.91091s) stopped
T01 >> 1462338225.06482291 XC 3D grid (1665.63418s) started
T01 >> 1462338225.25202203 van der Waals (1607.03202s) started
T01 >> 1462338225.29148293 semilocal (368.14717s) started
T01 << 1462338227.52704811 semilocal (370.38273s) stopped
T01 >> 1462338227.55646610 redistribute (183.44762s) started
T01 << 1462338227.93412399 redistribute (183.82528s) stopped
T01 >> 1462338227.93417907 libvdwxc nonlocal (1043.22642s) started
T01 << 1462338234.22072291 libvdwxc nonlocal (1049.51296s) stopped
T01 >> 1462338234.22079897 redistribute (183.82531s) started
T01 << 1462338234.95145988 redistribute (184.55597s) stopped
T01 << 1462338234.95212603 van der Waals (1616.73212s) stopped
T01 << 1462338235.13478088 XC 3D grid (1675.70414s) stopped
T01 >> 1462338235.13482189 Poisson (364.41642s) started
T01 << 1462338236.87257409 Poisson (366.15417s) stopped
T01 >> 1462338236.87263298 Hartree integrate/restrict (13.09827s) started
T01 << 1462338236.88741589 Hartree integrate/restrict (13.11305s) stopped
T01 >> 1462338236.88748097 Hartree integrate/restrict (13.11309s) started
T01 << 1462338236.94852304 Hartree integrate/restrict (13.17413s) stopped
T01 >> 1462338236.97467589 Atomic (1028.72644s) started
T01 >> 1462338236.98440289 XC Correction (1026.66479s) started
T01 << 1462338243.14675403 XC Correction (1032.82714s) stopped
T01 << 1462338243.14973998 Atomic (1034.90151s) stopped
T01 >> 1462338243.14985609 Communicate (764.15573s) started
T01 << 1462338247.86510801 Communicate (768.87099s) stopped
T01 << 1462338247.86513495 Hamiltonian (3864.42283s) stopped
T01 >> 1462338247.86520505 LCAO eigensolver (1382.82048s) started
T01 >> 1462338247.86521912 Potential matrix (43.77367s) started
T01 << 1462338248.12876296 Potential matrix (44.03721s) stopped
T01 >> 1462338248.12882805 DistributedAtomicCorrection (231.44874s) started
T01 << 1462338249.44538498 DistributedAtomicCorrection (232.76529s) stopped
T01 >> 1462338249.44544601 Distribute overlap matrix (196.39901s) started
T01 >> 1462338249.44546700 blocked summation (186.21028s) started
T01 << 1462338250.55035496 blocked summation (187.31516s) stopped
T01 >> 1462338250.55115795 Scalapack redistribute (9.94753s) started
T01 << 1462338250.61032295 Scalapack redistribute (10.00670s) stopped
T01 << 1462338250.61040902 Distribute overlap matrix (197.56398s) stopped
T01 >> 1462338250.61103201 Blacs Orbital Layouts (471.11226s) started
T01 >> 1462338250.61170006 General diagonalize (461.85944s) started
T01 << 1462338253.22025800 General diagonalize (464.46800s) stopped
T01 >> 1462338253.22030997 Redistribute coefs (0.49064s) started
T01 << 1462338253.22281408 Redistribute coefs (0.49315s) stopped
T01 >> 1462338253.22288108 Send coefs to domains (8.52245s) started
T01 << 1462338253.27198195 Send coefs to domains (8.57156s) stopped
T01 << 1462338253.27202797 Blacs Orbital Layouts (473.77325s) stopped
T01 >> 1462338253.27206898 Calculate projections (439.94315s) started
T01 << 1462338255.75308299 Calculate projections (442.42416s) stopped
T01 << 1462338255.75315189 LCAO eigensolver (1390.70843s) stopped
T01 >> 1462338255.75399494 Density (337.29711s) started
T01 >> 1462338255.75400710 Pseudo density (277.86685s) started
T01 >> 1462338255.75436091 Calculate density matrix (249.54464s) started
T01 << 1462338257.31344891 Calculate density matrix (251.10373s) stopped
T01 >> 1462338257.31351709 Construct density (27.91007s) started
T01 << 1462338257.48136806 Construct density (28.07792s) stopped
T01 >> 1462338257.48265409 Symmetrize density (0.00699s) started
T01 << 1462338257.48270893 Symmetrize density (0.00705s) stopped
T01 << 1462338257.48306990 Pseudo density (279.59592s) stopped
T01 >> 1462338257.48308992 Atomic density matrices (39.30746s) started
T01 << 1462338257.71792412 Atomic density matrices (39.54229s) stopped
T01 >> 1462338257.71795702 Multipole moments (0.60719s) started
T01 << 1462338257.72198200 Multipole moments (0.61122s) stopped
T01 >> 1462338257.72200298 Normalize (0.17037s) started
T01 << 1462338257.72297907 Normalize (0.17134s) stopped
T01 >> 1462338257.72300792 Mix (19.33462s) started
T01 << 1462338257.84298110 Mix (19.45459s) stopped
T01 << 1462338257.84304094 Density (339.38616s) stopped
T01 >> 1462338257.84314108 Hamiltonian (3864.42284s) started
T01 >> 1462338257.84316111 vbar (1.91097s) started
T01 << 1462338257.85303497 vbar (1.92084s) stopped
T01 >> 1462338257.85308790 XC 3D grid (1675.70417s) started
T01 >> 1462338258.03126001 van der Waals (1616.73215s) started
T01 >> 1462338258.07327294 semilocal (370.38278s) started
T01 << 1462338260.30012202 semilocal (372.60963s) stopped
T01 >> 1462338260.33151889 redistribute (184.55601s) started
T01 << 1462338260.71694589 redistribute (184.94143s) stopped
T01 >> 1462338260.71700001 libvdwxc nonlocal (1049.51300s) started
T01 << 1462338266.98540401 libvdwxc nonlocal (1055.78141s) stopped
T01 >> 1462338266.98547697 redistribute (184.94147s) started
T01 << 1462338267.71628189 redistribute (185.67227s) stopped
T01 << 1462338267.71709394 van der Waals (1626.41798s) stopped
T01 << 1462338267.89849806 XC 3D grid (1685.74958s) stopped
T01 >> 1462338267.89853692 Poisson (366.15421s) started
T01 << 1462338269.62937188 Poisson (367.88505s) stopped
T01 >> 1462338269.62945008 Hartree integrate/restrict (13.17418s) started
T01 << 1462338269.64435410 Hartree integrate/restrict (13.18908s) stopped
T01 >> 1462338269.64447999 Hartree integrate/restrict (13.18917s) started
T01 << 1462338269.70515800 Hartree integrate/restrict (13.24985s) stopped
T01 >> 1462338269.73322511 Atomic (1034.90153s) started
T01 >> 1462338269.74293303 XC Correction (1032.82716s) started
T01 << 1462338275.91156006 XC Correction (1038.99579s) stopped
T01 << 1462338275.91454697 Atomic (1041.08285s) stopped
T01 >> 1462338275.91466689 Communicate (768.87100s) started
T01 << 1462338280.70891809 Communicate (773.66526s) stopped
T01 << 1462338280.70896101 Hamiltonian (3887.28866s) stopped
T01 >> 1462338280.70907497 LCAO eigensolver (1390.70844s) started
T01 >> 1462338280.70908999 Potential matrix (44.03725s) started
T01 << 1462338280.96408200 Potential matrix (44.29224s) stopped
T01 >> 1462338280.96414208 DistributedAtomicCorrection (232.76532s) started
T01 << 1462338282.27963805 DistributedAtomicCorrection (234.08082s) stopped
T01 >> 1462338282.27969790 Distribute overlap matrix (197.56399s) started
T01 >> 1462338282.27971792 blocked summation (187.31520s) started
T01 << 1462338283.38697290 blocked summation (188.42246s) stopped
T01 >> 1462338283.38780594 Scalapack redistribute (10.00674s) started
T01 << 1462338283.43783593 Scalapack redistribute (10.05677s) stopped
T01 << 1462338283.43792510 Distribute overlap matrix (198.72222s) stopped
T01 >> 1462338283.43867612 Blacs Orbital Layouts (473.77326s) started
T01 >> 1462338283.43945503 General diagonalize (464.46803s) started
T01 << 1462338286.02777004 General diagonalize (467.05635s) stopped
T01 >> 1462338286.02781892 Redistribute coefs (0.49317s) started
T01 << 1462338286.03039098 Redistribute coefs (0.49575s) stopped
T01 >> 1462338286.03046107 Send coefs to domains (8.57159s) started
T01 << 1462338286.07862496 Send coefs to domains (8.61975s) stopped
T01 << 1462338286.07866597 Blacs Orbital Layouts (476.41325s) stopped
T01 >> 1462338286.07871103 Calculate projections (442.42422s) started
T01 << 1462338288.56010795 Calculate projections (444.90561s) stopped
T01 << 1462338288.56017494 LCAO eigensolver (1398.55954s) stopped
T01 << 1462338288.56085992 SCF-cycle (5625.37432s) stopped
T01 >> 1462338289.45095706 Force calculation (172.59007s) started
T01 >> 1462338289.45101190 LCAO forces (110.59271s) started
T01 >> 1462338289.45134497 Initial (0.00014s) started
T01 << 1462338289.45135498 Initial (0.00015s) stopped
T01 >> 1462338289.45571494 Get density matrix (21.01847s) started
T01 << 1462338290.02468300 Get density matrix (21.58744s) stopped
T01 >> 1462338290.02474499 Potential (8.04564s) started
T01 << 1462338291.36052799 Potential (9.38143s) stopped
T01 >> 1462338291.36058807 Get density matrix (21.58746s) started
T01 << 1462338294.26415610 Get density matrix (24.49103s) stopped
T01 >> 1462338294.26425695 Prepare TCI loop (11.51727s) started
T01 >> 1462338294.26475811 Get neighbors (9.63754s) started
T01 << 1462338295.91290808 Get neighbors (11.28569s) stopped
T01 >> 1462338295.91313291 broadcast dH (1.87565s) started
T01 << 1462338296.11957002 broadcast dH (2.08209s) stopped
T01 << 1462338296.11961198 Prepare TCI loop (13.37263s) stopped
T01 >> 1462338296.11963391 Not so complicated loop (15.27936s) started
T01 << 1462338298.66837692 Not so complicated loop (17.82810s) stopped
T01 >> 1462338298.77300310 Complicated loop (54.00438s) started
T01 << 1462338307.78846002 Complicated loop (63.01984s) stopped
T01 >> 1462338307.79687405 Wait for sum (0.00030s) started
T01 << 1462338307.79691005 Wait for sum (0.00034s) stopped
T01 << 1462338307.79692197 LCAO forces (128.93862s) stopped
T01 << 1462338317.92284489 Force calculation (201.06196s) stopped
T01 >> 1462338317.94018412 Initialization (346.04354s) started
T01 << 1462338317.94034696 Initialization (346.04370s) stopped
T01 >> 1462338317.94055891 Initialization (346.04372s) started
T01 << 1462338317.94069290 Initialization (346.04385s) stopped
T01 >> 1462338317.94082499 Initialization (346.04387s) started
T01 << 1462338317.94095302 Initialization (346.04400s) stopped
T01 >> 1462338338.31814408 Initialization (346.04402s) started
T01 >> 1462338338.34434009 Basic WFS set positions (0.65738s) started
T01 >> 1462338338.34436488 Redistribute (0.01948s) started
T01 << 1462338338.34449792 Redistribute (0.01961s) stopped
T01 << 1462338338.44014597 Basic WFS set positions (0.75318s) stopped
T01 >> 1462338338.44017696 Basis functions set positions (2.98032s) started
T01 << 1462338338.86761189 Basis functions set positions (3.40776s) stopped
T01 >> 1462338338.86845708 TCI: Calculate S, T, P (102.16829s) started
T01 << 1462338353.80269599 TCI: Calculate S, T, P (117.10252s) stopped
T01 >> 1462338353.80277109 blocked summation (27.52522s) started
T01 << 1462338357.71633101 blocked summation (31.43878s) stopped
T01 >> 1462338357.71715498 Scalapack redistribute (1.04190s) started
T01 << 1462338357.76926804 Scalapack redistribute (1.09402s) stopped
T01 >> 1462338357.76971602 blocked summation (31.43882s) started
T01 << 1462338357.94620895 blocked summation (31.61531s) stopped
T01 >> 1462338357.94707799 Scalapack redistribute (1.09407s) started
T01 << 1462338358.14223194 Scalapack redistribute (1.28923s) stopped
T01 >> 1462338358.14354396 Redistribute (0.01224s) started
T01 << 1462338358.14446998 Redistribute (0.01316s) stopped
T01 >> 1462338359.05630708 Redistribute (0.01318s) started
T01 << 1462338359.05722690 Redistribute (0.01410s) stopped
T01 >> 1462338359.06569099 LCAO WFS Initialize (203.07139s) started
T01 >> 1462338359.06571603 Density initialize from wavefunctions (7.14810s) started
T01 >> 1462338359.06610107 Calculate density matrix (4.16238s) started
T01 << 1462338359.76899505 Calculate density matrix (4.86528s) stopped
T01 >> 1462338359.76904511 Construct density (1.00773s) started
T01 << 1462338359.93651009 Construct density (1.17520s) stopped
T01 >> 1462338359.93784094 Symmetrize density (0.00024s) started
T01 << 1462338359.93787003 Symmetrize density (0.00027s) stopped
T01 << 1462338360.26958799 Density initialize from wavefunctions (8.35197s) stopped
T01 >> 1462338360.27032304 Hamiltonian (195.72494s) started
T01 >> 1462338360.27037311 vbar (0.08589s) started
T01 << 1462338360.28174996 vbar (0.09726s) stopped
T01 >> 1462338360.28184009 XC 3D grid (70.49158s) started
T01 >> 1462338360.45208597 van der Waals (68.01707s) started
T01 >> 1462338360.49275088 semilocal (15.62473s) started
T01 << 1462338362.70057201 semilocal (17.83255s) stopped
T01 >> 1462338362.73283410 redistribute (7.72326s) started
T01 << 1462338363.14410400 redistribute (8.13453s) stopped
T01 >> 1462338363.14417195 libvdwxc nonlocal (44.15561s) started
T01 << 1462338369.43294406 libvdwxc nonlocal (50.44438s) stopped
T01 >> 1462338369.43301201 redistribute (8.13458s) started
T01 << 1462338370.14937997 redistribute (8.85095s) stopped
T01 << 1462338370.15034795 van der Waals (77.71533s) stopped
T01 << 1462338370.33457804 XC 3D grid (80.54432s) stopped
T01 >> 1462338370.33461905 Poisson (34.81308s) started
T01 << 1462338374.92837596 Poisson (39.40684s) stopped
T01 >> 1462338374.92843890 Hartree integrate/restrict (0.55062s) started
T01 << 1462338374.94355011 Hartree integrate/restrict (0.56573s) stopped
T01 >> 1462338374.94361591 Hartree integrate/restrict (0.56577s) started
T01 << 1462338375.00586295 Hartree integrate/restrict (0.62802s) stopped
T01 >> 1462338375.03148890 Atomic (46.51093s) started
T01 >> 1462338375.04123712 XC Correction (46.42309s) started
T01 << 1462338381.58480310 XC Correction (52.96665s) stopped
T01 << 1462338381.58780193 Atomic (53.06724s) stopped
T01 >> 1462338381.58799005 Communicate (43.09817s) started
T01 << 1462338387.76865411 Communicate (49.27883s) stopped
T01 << 1462338387.76868105 Hamiltonian (223.22330s) stopped
T01 << 1462338387.76872301 LCAO WFS Initialize (231.77442s) stopped
T01 << 1462338387.78065610 Initialization (395.50653s) stopped
T01 >> 1462338387.80447292 SCF-cycle (5625.37434s) started
T01 >> 1462338387.80450392 LCAO eigensolver (1398.55955s) started
T01 >> 1462338387.80451703 Potential matrix (44.29227s) started
T01 << 1462338388.05726099 Potential matrix (44.54502s) stopped
T01 >> 1462338388.05732298 DistributedAtomicCorrection (234.08085s) started
T01 << 1462338389.36274791 DistributedAtomicCorrection (235.38627s) stopped
T01 >> 1462338389.36280704 Distribute overlap matrix (198.72223s) started
T01 >> 1462338389.36282802 blocked summation (188.42249s) started
T01 << 1462338390.46703100 blocked summation (189.52669s) stopped
T01 >> 1462338390.46792889 Scalapack redistribute (10.05681s) started
T01 << 1462338390.51642990 Scalapack redistribute (10.10531s) stopped
T01 << 1462338390.51652002 Distribute overlap matrix (199.87594s) stopped
T01 >> 1462338390.51714110 Blacs Orbital Layouts (476.41326s) started
T01 >> 1462338390.51781106 General diagonalize (467.05638s) started
T01 << 1462338393.11625099 General diagonalize (469.65481s) stopped
T01 >> 1462338393.11629105 Redistribute coefs (0.49577s) started
T01 << 1462338393.11858010 Redistribute coefs (0.49806s) stopped
T01 >> 1462338393.11868596 Send coefs to domains (8.61979s) started
T01 << 1462338393.16736794 Send coefs to domains (8.66847s) stopped
T01 << 1462338393.16741395 Blacs Orbital Layouts (479.06354s) stopped
T01 >> 1462338393.16743493 Calculate projections (444.90566s) started
T01 << 1462338395.64805889 Calculate projections (447.38629s) stopped
T01 << 1462338395.64812303 LCAO eigensolver (1406.40317s) stopped
T01 >> 1462338395.64869809 Density (339.38617s) started
T01 >> 1462338395.64871001 Pseudo density (279.59593s) started
T01 >> 1462338395.64903998 Calculate density matrix (251.10376s) started
T01 << 1462338397.22124195 Calculate density matrix (252.67597s) stopped
T01 >> 1462338397.22129512 Construct density (28.07796s) started
T01 << 1462338397.38872290 Construct density (28.24538s) stopped
T01 >> 1462338397.38987207 Symmetrize density (0.00706s) started
T01 << 1462338397.38990307 Symmetrize density (0.00709s) stopped
T01 << 1462338397.39026308 Pseudo density (281.33748s) stopped
T01 >> 1462338397.39028311 Atomic density matrices (39.54232s) started
T01 << 1462338397.62578893 Atomic density matrices (39.77782s) stopped
T01 >> 1462338397.62582302 Multipole moments (0.61123s) started
T01 << 1462338397.62974191 Multipole moments (0.61515s) stopped
T01 >> 1462338397.62976408 Normalize (0.17136s) started
T01 << 1462338397.63072300 Normalize (0.17232s) stopped
T01 >> 1462338397.63075590 Mix (19.45465s) started
T01 << 1462338397.73490596 Mix (19.55880s) stopped
T01 << 1462338397.73501492 Density (341.47249s) stopped
T01 >> 1462338397.73513889 Hamiltonian (3887.28868s) started
T01 >> 1462338397.73516107 vbar (1.92087s) started
T01 << 1462338397.74712992 vbar (1.93284s) stopped
T01 >> 1462338397.74718499 XC 3D grid (1685.74961s) started
T01 >> 1462338397.92894197 van der Waals (1626.41800s) started
T01 >> 1462338397.96883512 semilocal (372.60973s) started
T01 << 1462338400.20795107 semilocal (374.84885s) stopped
T01 >> 1462338400.23921299 redistribute (185.67232s) started
T01 << 1462338400.61395311 redistribute (186.04706s) stopped
T01 >> 1462338400.61401010 libvdwxc nonlocal (1055.78145s) started
T01 << 1462338406.90707302 libvdwxc nonlocal (1062.07451s) stopped
T01 >> 1462338406.90712810 redistribute (186.04709s) started
T01 << 1462338407.63110304 redistribute (186.77107s) stopped
T01 << 1462338407.63233209 van der Waals (1636.12139s) stopped
T01 << 1462338407.81398511 XC 3D grid (1695.81641s) stopped
T01 >> 1462338407.81403899 Poisson (367.88511s) started
T01 << 1462338410.12601805 Poisson (370.19709s) stopped
T01 >> 1462338410.12608004 Hartree integrate/restrict (13.24989s) started
T01 << 1462338410.14113808 Hartree integrate/restrict (13.26495s) stopped
T01 >> 1462338410.14126706 Hartree integrate/restrict (13.26504s) started
T01 << 1462338410.20562196 Hartree integrate/restrict (13.32939s) stopped
T01 >> 1462338410.22846508 Atomic (1041.08287s) started
T01 >> 1462338410.23806095 XC Correction (1038.99581s) started
T01 << 1462338416.79439712 XC Correction (1045.55214s) stopped
T01 << 1462338416.79733706 Atomic (1047.65174s) stopped
T01 >> 1462338416.79745793 Communicate (773.66528s) started
T01 << 1462338422.45446610 Communicate (779.32229s) stopped
T01 << 1462338422.45449209 Hamiltonian (3912.00803s) stopped
T01 >> 1462338422.45455503 LCAO eigensolver (1406.40318s) started
T01 >> 1462338422.45456910 Potential matrix (44.54505s) started
T01 << 1462338422.70675802 Potential matrix (44.79724s) stopped
T01 >> 1462338422.70682001 DistributedAtomicCorrection (235.38630s) started
T01 << 1462338424.00998211 DistributedAtomicCorrection (236.68946s) stopped
T01 >> 1462338424.01004100 Distribute overlap matrix (199.87595s) started
T01 >> 1462338424.01006198 blocked summation (189.52673s) started
T01 << 1462338425.11458611 blocked summation (190.63125s) stopped
T01 >> 1462338425.11550403 Scalapack redistribute (10.10535s) started
T01 << 1462338425.16389489 Scalapack redistribute (10.15374s) stopped
T01 << 1462338425.16398597 Distribute overlap matrix (201.02990s) stopped
T01 >> 1462338425.16459608 Blacs Orbital Layouts (479.06355s) started
T01 >> 1462338425.16525006 General diagonalize (469.65485s) started
T01 << 1462338427.78063607 General diagonalize (472.27023s) stopped
T01 >> 1462338427.78068805 Redistribute coefs (0.49815s) started
T01 << 1462338427.78305006 Redistribute coefs (0.50051s) stopped
T01 >> 1462338427.78308702 Send coefs to domains (8.66850s) started
T01 << 1462338427.83162594 Send coefs to domains (8.71704s) stopped
T01 << 1462338427.83166909 Blacs Orbital Layouts (481.73062s) stopped
T01 >> 1462338427.83170700 Calculate projections (447.38633s) started
T01 << 1462338430.31243706 Calculate projections (449.86706s) stopped
T01 << 1462338430.31250191 LCAO eigensolver (1414.26113s) stopped
T01 >> 1462338430.31307793 Density (341.47250s) started
T01 >> 1462338430.31309104 Pseudo density (281.33750s) started
T01 >> 1462338430.31341505 Calculate density matrix (252.67600s) started
T01 << 1462338431.88328910 Calculate density matrix (254.24587s) stopped
T01 >> 1462338431.88333988 Construct density (28.24542s) started
T01 << 1462338432.05087709 Construct density (28.41295s) stopped
T01 >> 1462338432.05199599 Symmetrize density (0.00710s) started
T01 << 1462338432.05202508 Symmetrize density (0.00713s) stopped
T01 << 1462338432.05238390 Pseudo density (283.07679s) stopped
T01 >> 1462338432.05240393 Atomic density matrices (39.77784s) started
T01 << 1462338432.28777909 Atomic density matrices (40.01322s) stopped
T01 >> 1462338432.28783488 Multipole moments (0.61517s) started
T01 << 1462338432.29174089 Multipole moments (0.61907s) stopped
T01 >> 1462338432.29176307 Normalize (0.17234s) started
T01 << 1462338432.29272890 Normalize (0.17331s) stopped
T01 >> 1462338432.29275990 Mix (19.55890s) started
T01 << 1462338432.40328312 Mix (19.66942s) stopped
T01 << 1462338432.40337801 Density (343.56280s) stopped
T01 >> 1462338432.40349388 Hamiltonian (3912.00804s) started
T01 >> 1462338432.40351200 vbar (1.93287s) started
T01 << 1462338432.41408992 vbar (1.94344s) stopped
T01 >> 1462338432.41414905 XC 3D grid (1695.81645s) started
T01 >> 1462338432.59236908 van der Waals (1636.12142s) started
T01 >> 1462338432.63257194 semilocal (374.84895s) started
T01 << 1462338434.86051798 semilocal (377.07690s) stopped
T01 >> 1462338434.89070892 redistribute (186.77110s) started
T01 << 1462338435.27573395 redistribute (187.15612s) stopped
T01 >> 1462338435.27580810 libvdwxc nonlocal (1062.07455s) started
T01 << 1462338441.56473994 libvdwxc nonlocal (1068.36348s) stopped
T01 >> 1462338441.56479502 redistribute (187.15617s) started
T01 << 1462338442.28940511 redistribute (187.88078s) stopped
T01 << 1462338442.29052091 van der Waals (1645.81957s) stopped
T01 << 1462338442.47192311 XC 3D grid (1705.87423s) stopped
T01 >> 1462338442.47196102 Poisson (370.19714s) started
T01 << 1462338444.78322196 Poisson (372.50840s) stopped
T01 >> 1462338444.78328705 Hartree integrate/restrict (13.32942s) started
T01 << 1462338444.79833388 Hartree integrate/restrict (13.34447s) stopped
T01 >> 1462338444.79840493 Hartree integrate/restrict (13.34452s) started
T01 << 1462338444.86778998 Hartree integrate/restrict (13.41390s) stopped
T01 >> 1462338444.88535595 Atomic (1047.65175s) started
T01 >> 1462338444.89501095 XC Correction (1045.55216s) started
T01 << 1462338451.12891889 XC Correction (1051.78607s) stopped
T01 << 1462338451.13190103 Atomic (1053.89830s) stopped
T01 >> 1462338451.13202405 Communicate (779.32231s) started
T01 << 1462338456.36648297 Communicate (784.55677s) stopped
T01 << 1462338456.36650705 Hamiltonian (3935.97105s) stopped
T01 >> 1462338456.36657000 LCAO eigensolver (1414.26114s) started
T01 >> 1462338456.36658406 Potential matrix (44.79727s) started
T01 << 1462338456.61902404 Potential matrix (45.04971s) stopped
T01 >> 1462338456.61908388 DistributedAtomicCorrection (236.68949s) started
T01 << 1462338457.93147898 DistributedAtomicCorrection (238.00188s) stopped
T01 >> 1462338457.93153811 Distribute overlap matrix (201.02991s) started
T01 >> 1462338457.93155909 blocked summation (190.63129s) started
T01 << 1462338459.03065205 blocked summation (191.73038s) stopped
T01 >> 1462338459.03144407 Scalapack redistribute (10.15378s) started
T01 << 1462338459.08149195 Scalapack redistribute (10.20383s) stopped
T01 << 1462338459.08157992 Distribute overlap matrix (202.17995s) stopped
T01 >> 1462338459.08219409 Blacs Orbital Layouts (481.73063s) started
T01 >> 1462338459.08285499 General diagonalize (472.27026s) started
T01 << 1462338461.66879296 General diagonalize (474.85620s) stopped
T01 >> 1462338461.66884398 Redistribute coefs (0.50054s) started
T01 << 1462338461.67107010 Redistribute coefs (0.50276s) stopped
T01 >> 1462338461.67110610 Send coefs to domains (8.71708s) started
T01 << 1462338461.71895194 Send coefs to domains (8.76492s) stopped
T01 << 1462338461.71899796 Blacs Orbital Layouts (484.36744s) stopped
T01 >> 1462338461.71903396 Calculate projections (449.86711s) started
T01 << 1462338464.19977593 Calculate projections (452.34785s) stopped
T01 << 1462338464.19984007 LCAO eigensolver (1422.09441s) stopped
T01 >> 1462338464.20049405 Density (343.56282s) started
T01 >> 1462338464.20050597 Pseudo density (283.07681s) started
T01 >> 1462338464.20085502 Calculate density matrix (254.24591s) started
T01 << 1462338465.77343798 Calculate density matrix (255.81849s) stopped
T01 >> 1462338465.77350211 Construct density (28.41299s) started
T01 << 1462338465.94094205 Construct density (28.58043s) stopped
T01 >> 1462338465.94208503 Symmetrize density (0.00714s) started
T01 << 1462338465.94211507 Symmetrize density (0.00717s) stopped
T01 << 1462338465.94247198 Pseudo density (284.81877s) stopped
T01 >> 1462338465.94249201 Atomic density matrices (40.01326s) started
T01 << 1462338466.17780900 Atomic density matrices (40.24858s) stopped
T01 >> 1462338466.17784190 Multipole moments (0.61909s) started
T01 << 1462338466.18174100 Multipole moments (0.62299s) stopped
T01 >> 1462338466.18176293 Normalize (0.17333s) started
T01 << 1462338466.18277788 Normalize (0.17435s) stopped
T01 >> 1462338466.18280792 Mix (19.66951s) started
T01 << 1462338466.29688811 Mix (19.78359s) stopped
T01 << 1462338466.29700208 Density (345.65932s) stopped
T01 >> 1462338466.29713392 Hamiltonian (3935.97107s) started
T01 >> 1462338466.29715490 vbar (1.94348s) started
T01 << 1462338466.30767608 vbar (1.95400s) stopped
T01 >> 1462338466.30772495 XC 3D grid (1705.87426s) started
T01 >> 1462338466.49083710 van der Waals (1645.81959s) started
T01 >> 1462338466.52999902 semilocal (377.07703s) started
T01 << 1462338468.75801301 semilocal (379.30505s) stopped
T01 >> 1462338468.78763890 redistribute (187.88083s) started
T01 << 1462338469.18029094 redistribute (188.27348s) stopped
T01 >> 1462338469.18034601 libvdwxc nonlocal (1068.36351s) started
T01 << 1462338475.45811296 libvdwxc nonlocal (1074.64128s) stopped
T01 >> 1462338475.45816588 redistribute (188.27351s) started
T01 << 1462338476.18111897 redistribute (188.99647s) stopped
T01 << 1462338476.18223906 van der Waals (1655.51100s) stopped
T01 << 1462338476.36242104 XC 3D grid (1715.92895s) stopped
T01 >> 1462338476.36246109 Poisson (372.50844s) started
T01 << 1462338478.67406201 Poisson (374.82004s) stopped
T01 >> 1462338478.67410803 Hartree integrate/restrict (13.41393s) started
T01 << 1462338478.68966508 Hartree integrate/restrict (13.42949s) stopped
T01 >> 1462338478.68975496 Hartree integrate/restrict (13.42955s) started
T01 << 1462338478.75288296 Hartree integrate/restrict (13.49268s) stopped
T01 >> 1462338478.77552795 Atomic (1053.89832s) started
T01 >> 1462338478.78512812 XC Correction (1051.78609s) started
T01 << 1462338484.97668600 XC Correction (1057.97765s) stopped
T01 << 1462338484.97966409 Atomic (1060.10245s) stopped
T01 >> 1462338484.97978592 Communicate (784.55679s) started
T01 << 1462338489.78924394 Communicate (789.36624s) stopped
T01 << 1462338489.78927112 Hamiltonian (3959.46321s) stopped
T01 >> 1462338489.78933501 LCAO eigensolver (1422.09442s) started
T01 >> 1462338489.78934908 Potential matrix (45.04975s) started
T01 << 1462338490.04156804 Potential matrix (45.30196s) stopped
T01 >> 1462338490.04163289 DistributedAtomicCorrection (238.00191s) started
T01 << 1462338491.34480906 DistributedAtomicCorrection (239.30509s) stopped
T01 >> 1462338491.34486890 Distribute overlap matrix (202.17996s) started
T01 >> 1462338491.34489012 blocked summation (191.73042s) started
T01 << 1462338492.47885990 blocked summation (192.86439s) stopped
T01 >> 1462338492.47967505 Scalapack redistribute (10.20387s) started
T01 << 1462338492.53017092 Scalapack redistribute (10.25437s) stopped
T01 << 1462338492.53027296 Distribute overlap matrix (203.36537s) stopped
T01 >> 1462338492.53103995 Blacs Orbital Layouts (484.36745s) started
T01 >> 1462338492.53182197 General diagonalize (474.85623s) started
T01 << 1462338495.13648200 General diagonalize (477.46089s) stopped
T01 >> 1462338495.13653398 Redistribute coefs (0.50279s) started
T01 << 1462338495.13867688 Redistribute coefs (0.50493s) stopped
T01 >> 1462338495.13871408 Send coefs to domains (8.76496s) started
T01 << 1462338495.18859696 Send coefs to domains (8.81484s) stopped
T01 << 1462338495.18864202 Blacs Orbital Layouts (487.02505s) stopped
T01 >> 1462338495.18868089 Calculate projections (452.34790s) started
T01 << 1462338497.67078590 Calculate projections (454.83000s) stopped
T01 << 1462338497.67085600 LCAO eigensolver (1429.97594s) stopped
T01 >> 1462338497.67151093 Density (345.65934s) started
T01 >> 1462338497.67152405 Pseudo density (284.81879s) started
T01 >> 1462338497.67185712 Calculate density matrix (255.81852s) started
T01 << 1462338499.25228906 Calculate density matrix (257.39896s) stopped
T01 >> 1462338499.25235510 Construct density (28.58046s) started
T01 << 1462338499.41968894 Construct density (28.74779s) stopped
T01 >> 1462338499.42081904 Symmetrize density (0.00719s) started
T01 << 1462338499.42084908 Symmetrize density (0.00722s) stopped
T01 << 1462338499.42120504 Pseudo density (286.56847s) stopped
T01 >> 1462338499.42122412 Atomic density matrices (40.24860s) started
T01 << 1462338499.65708709 Atomic density matrices (40.48447s) stopped
T01 >> 1462338499.65711999 Multipole moments (0.62300s) started
T01 << 1462338499.66105890 Multipole moments (0.62694s) stopped
T01 >> 1462338499.66108108 Normalize (0.17437s) started
T01 << 1462338499.66203499 Normalize (0.17532s) stopped
T01 >> 1462338499.66206503 Mix (19.78370s) started
T01 << 1462338499.77979803 Mix (19.90144s) stopped
T01 << 1462338499.77984691 Density (347.76768s) stopped
T01 >> 1462338499.77996397 Hamiltonian (3959.46322s) started
T01 >> 1462338499.77998495 vbar (1.95403s) started
T01 << 1462338499.79006195 vbar (1.96411s) stopped
T01 >> 1462338499.79011893 XC 3D grid (1715.92898s) started
T01 >> 1462338499.96493411 van der Waals (1655.51102s) started
T01 >> 1462338500.00604606 semilocal (379.30513s) started
T01 << 1462338502.23540592 semilocal (381.53449s) stopped
T01 >> 1462338502.26671004 redistribute (188.99650s) started
T01 << 1462338502.66338491 redistribute (189.39318s) stopped
T01 >> 1462338502.66343999 libvdwxc nonlocal (1074.64131s) started
T01 << 1462338508.98256207 libvdwxc nonlocal (1080.96043s) stopped
T01 >> 1462338508.98263311 redistribute (189.39321s) started
T01 << 1462338509.70940495 redistribute (190.11998s) stopped
T01 << 1462338509.71067595 van der Waals (1665.25676s) stopped
T01 << 1462338509.89178109 XC 3D grid (1726.03064s) stopped
T01 >> 1462338509.89183497 Poisson (374.82008s) started
T01 << 1462338512.19275093 Poisson (377.12099s) stopped
T01 >> 1462338512.19282508 Hartree integrate/restrict (13.49271s) started
T01 << 1462338512.20793891 Hartree integrate/restrict (13.50782s) stopped
T01 >> 1462338512.20808005 Hartree integrate/restrict (13.50792s) started
T01 << 1462338512.27615809 Hartree integrate/restrict (13.57600s) stopped
T01 >> 1462338512.29464602 Atomic (1060.10247s) started
T01 >> 1462338512.30416989 XC Correction (1057.97767s) started
T01 << 1462338518.46812797 XC Correction (1064.14163s) stopped
T01 << 1462338518.47107410 Atomic (1066.27890s) stopped
T01 >> 1462338518.47119904 Communicate (789.36626s) started
T01 << 1462338523.07290792 Communicate (793.96797s) stopped
T01 << 1462338523.07293105 Hamiltonian (3982.75619s) stopped
T01 >> 1462338523.07299304 LCAO eigensolver (1429.97596s) started
T01 >> 1462338523.07300711 Potential matrix (45.30200s) started
T01 << 1462338523.32622600 Potential matrix (45.55522s) stopped
T01 >> 1462338523.32628608 DistributedAtomicCorrection (239.30512s) started
T01 << 1462338524.62837410 DistributedAtomicCorrection (240.60721s) stopped
T01 >> 1462338524.62843299 Distribute overlap matrix (203.36538s) started
T01 >> 1462338524.62845397 blocked summation (192.86442s) started
T01 << 1462338525.73925495 blocked summation (193.97522s) stopped
T01 >> 1462338525.74008703 Scalapack redistribute (10.25442s) started
T01 << 1462338525.79829097 Scalapack redistribute (10.31262s) stopped
T01 << 1462338525.79835796 Distribute overlap matrix (204.53530s) stopped
T01 >> 1462338525.79892612 Blacs Orbital Layouts (487.02506s) started
T01 >> 1462338525.80031490 General diagonalize (477.46093s) started
T01 << 1462338528.40405989 General diagonalize (480.06467s) stopped
T01 >> 1462338528.40410995 Redistribute coefs (0.50496s) started
T01 << 1462338528.40627909 Redistribute coefs (0.50713s) stopped
T01 >> 1462338528.40631390 Send coefs to domains (8.81488s) started
T01 << 1462338528.45614004 Send coefs to domains (8.86470s) stopped
T01 << 1462338528.45637894 Blacs Orbital Layouts (489.68252s) stopped
T01 >> 1462338528.45642591 Calculate projections (454.83005s) started
T01 << 1462338530.93702006 Calculate projections (457.31065s) stopped
T01 << 1462338530.93708396 LCAO eigensolver (1437.84005s) stopped
T01 >> 1462338530.93774390 Density (347.76769s) started
T01 >> 1462338530.93775606 Pseudo density (286.56848s) started
T01 >> 1462338530.93809390 Calculate density matrix (257.39899s) started
T01 << 1462338532.51587605 Calculate density matrix (258.97677s) stopped
T01 >> 1462338532.51593995 Construct density (28.74783s) started
T01 << 1462338532.68340302 Construct density (28.91529s) stopped
T01 >> 1462338532.68453097 Symmetrize density (0.00723s) started
T01 << 1462338532.68456006 Symmetrize density (0.00726s) stopped
T01 << 1462338532.68492699 Pseudo density (288.31565s) stopped
T01 >> 1462338532.68494701 Atomic density matrices (40.48449s) started
T01 << 1462338532.92010808 Atomic density matrices (40.71965s) stopped
T01 >> 1462338532.92014098 Multipole moments (0.62695s) started
T01 << 1462338532.92406893 Multipole moments (0.63088s) stopped
T01 >> 1462338532.92409110 Normalize (0.17535s) started
T01 << 1462338532.92505097 Normalize (0.17631s) stopped
T01 >> 1462338532.92508197 Mix (19.90148s) started
T01 << 1462338533.04720592 Mix (20.02361s) stopped
T01 << 1462338533.04732203 Density (349.87727s) stopped
T01 >> 1462338533.04745603 Hamiltonian (3982.75620s) started
T01 >> 1462338533.04747605 vbar (1.96414s) started
T01 << 1462338533.05762291 vbar (1.97428s) stopped
T01 >> 1462338533.05768394 XC 3D grid (1726.03069s) started
T01 >> 1462338533.24071503 van der Waals (1665.25679s) started
T01 >> 1462338533.28007102 semilocal (381.53458s) started
T01 << 1462338535.50737405 semilocal (383.76188s) stopped
T01 >> 1462338535.53743601 redistribute (190.12001s) started
T01 << 1462338535.91511393 redistribute (190.49769s) stopped
T01 >> 1462338535.91519094 libvdwxc nonlocal (1080.96047s) started
T01 << 1462338542.19971108 libvdwxc nonlocal (1087.24499s) stopped
T01 >> 1462338542.19977093 redistribute (190.49774s) started
T01 << 1462338542.92068005 redistribute (191.21865s) stopped
T01 << 1462338542.92169690 van der Waals (1674.93777s) stopped
T01 << 1462338543.11497688 XC 3D grid (1736.08798s) stopped
T01 >> 1462338543.11501908 Poisson (377.12105s) started
T01 << 1462338545.42209005 Poisson (379.42812s) stopped
T01 >> 1462338545.42214203 Hartree integrate/restrict (13.57604s) started
T01 << 1462338545.43712592 Hartree integrate/restrict (13.59102s) stopped
T01 >> 1462338545.43720007 Hartree integrate/restrict (13.59107s) started
T01 << 1462338545.50217891 Hartree integrate/restrict (13.65605s) stopped
T01 >> 1462338545.52496791 Atomic (1066.27891s) started
T01 >> 1462338545.53468800 XC Correction (1064.14165s) started
T01 << 1462338551.79496288 XC Correction (1070.40192s) stopped
T01 << 1462338551.79793501 Atomic (1072.55188s) stopped
T01 >> 1462338551.79805803 Communicate (793.96799s) started
T01 << 1462338556.34935999 Communicate (798.51929s) stopped
T01 << 1462338556.34938407 Hamiltonian (4006.05813s) stopped
T01 >> 1462338556.34944701 LCAO eigensolver (1437.84006s) started
T01 >> 1462338556.34946108 Potential matrix (45.55525s) started
T01 << 1462338556.60185194 Potential matrix (45.80764s) stopped
T01 >> 1462338556.60191607 DistributedAtomicCorrection (240.60723s) started
T01 << 1462338557.90445805 DistributedAtomicCorrection (241.90978s) stopped
T01 >> 1462338557.90451598 Distribute overlap matrix (204.53532s) started
T01 >> 1462338557.90453696 blocked summation (193.97526s) started
T01 << 1462338559.00099897 blocked summation (195.07172s) stopped
T01 >> 1462338559.00263000 Scalapack redistribute (10.31265s) started
T01 << 1462338559.06178594 Scalapack redistribute (10.37180s) stopped
T01 << 1462338559.06185699 Distribute overlap matrix (205.69266s) stopped
T01 >> 1462338559.06243992 Blacs Orbital Layouts (489.68253s) started
T01 >> 1462338559.06386995 General diagonalize (480.06470s) started
T01 << 1462338561.68775296 General diagonalize (482.68858s) stopped
T01 >> 1462338561.68780398 Redistribute coefs (0.50716s) started
T01 << 1462338561.69088411 Redistribute coefs (0.51024s) stopped
T01 >> 1462338561.69092107 Send coefs to domains (8.86473s) started
T01 << 1462338561.73866105 Send coefs to domains (8.91247s) stopped
T01 << 1462338561.73894405 Blacs Orbital Layouts (492.35904s) stopped
T01 >> 1462338561.73899198 Calculate projections (457.31069s) started
T01 << 1462338564.21968794 Calculate projections (459.79139s) stopped
T01 << 1462338564.21994305 LCAO eigensolver (1445.71055s) stopped
T01 >> 1462338564.22057509 Density (349.87729s) started
T01 >> 1462338564.22058702 Pseudo density (288.31567s) started
T01 >> 1462338564.22093391 Calculate density matrix (258.97681s) started
T01 << 1462338565.81315303 Calculate density matrix (260.56902s) stopped
T01 >> 1462338565.81321907 Construct density (28.91532s) started
T01 << 1462338565.98059106 Construct density (29.08270s) stopped
T01 >> 1462338565.98172498 Symmetrize density (0.00727s) started
T01 << 1462338565.98175597 Symmetrize density (0.00730s) stopped
T01 << 1462338565.98213100 Pseudo density (290.07721s) stopped
T01 >> 1462338565.98215008 Atomic density matrices (40.71967s) started
T01 << 1462338566.21712303 Atomic density matrices (40.95465s) stopped
T01 >> 1462338566.21715593 Multipole moments (0.63090s) started
T01 << 1462338566.22110701 Multipole moments (0.63485s) stopped
T01 >> 1462338566.22112799 Normalize (0.17633s) started
T01 << 1462338566.22208500 Normalize (0.17729s) stopped
T01 >> 1462338566.22211504 Mix (20.02372s) started
T01 << 1462338566.34411812 Mix (20.14572s) stopped
T01 << 1462338566.34417391 Density (352.00089s) stopped
T01 >> 1462338566.34431291 Hamiltonian (4006.05814s) started
T01 >> 1462338566.34433198 vbar (1.97432s) started
T01 << 1462338566.35427904 vbar (1.98426s) stopped
T01 >> 1462338566.35433292 XC 3D grid (1736.08801s) started
T01 >> 1462338566.53373098 van der Waals (1674.93779s) started
T01 >> 1462338566.57392001 semilocal (383.76195s) started
T01 << 1462338568.80569911 semilocal (385.99373s) stopped
T01 >> 1462338568.83599210 redistribute (191.21871s) started
T01 << 1462338569.24920201 redistribute (191.63192s) stopped
T01 >> 1462338569.24925590 libvdwxc nonlocal (1087.24502s) started
T01 << 1462338575.52706289 libvdwxc nonlocal (1093.52283s) stopped
T01 >> 1462338575.52712107 redistribute (191.63195s) started
T01 << 1462338576.24920607 redistribute (192.35403s) stopped
T01 << 1462338576.25060511 van der Waals (1684.65467s) stopped
T01 << 1462338576.43294907 XC 3D grid (1746.16663s) stopped
T01 >> 1462338576.43299007 Poisson (379.42816s) started
T01 << 1462338578.74127698 Poisson (381.73645s) stopped
T01 >> 1462338578.74133611 Hartree integrate/restrict (13.65608s) started
T01 << 1462338578.75675702 Hartree integrate/restrict (13.67150s) stopped
T01 >> 1462338578.75681210 Hartree integrate/restrict (13.67154s) started
T01 << 1462338578.81974506 Hartree integrate/restrict (13.73447s) stopped
T01 >> 1462338578.84402609 Atomic (1072.55190s) started
T01 >> 1462338578.85384107 XC Correction (1070.40195s) started
T01 << 1462338585.18175507 XC Correction (1076.72986s) stopped
T01 << 1462338585.18476105 Atomic (1078.89263s) stopped
T01 >> 1462338585.18488503 Communicate (798.51930s) started
T01 << 1462338589.72607088 Communicate (803.06049s) stopped
T01 << 1462338589.72609711 Hamiltonian (4029.43992s) stopped
T01 >> 1462338589.72616196 LCAO eigensolver (1445.71057s) started
T01 >> 1462338589.72617507 Potential matrix (45.80767s) started
T01 << 1462338589.97962809 Potential matrix (46.06113s) stopped
T01 >> 1462338589.97968888 DistributedAtomicCorrection (241.90980s) started
T01 << 1462338591.28027797 DistributedAtomicCorrection (243.21039s) stopped
T01 >> 1462338591.28033495 Distribute overlap matrix (205.69267s) started
T01 >> 1462338591.28035688 blocked summation (195.07176s) started
T01 << 1462338592.38718510 blocked summation (196.17858s) stopped
T01 >> 1462338592.38908291 Scalapack redistribute (10.37183s) started
T01 << 1462338592.44829893 Scalapack redistribute (10.43105s) stopped
T01 << 1462338592.44837308 Distribute overlap matrix (206.86071s) stopped
T01 >> 1462338592.44896197 Blacs Orbital Layouts (492.35905s) started
T01 >> 1462338592.45043707 General diagonalize (482.68862s) started
T01 << 1462338595.11065793 General diagonalize (485.34884s) stopped
T01 >> 1462338595.11070991 Redistribute coefs (0.51027s) started
T01 << 1462338595.11296606 Redistribute coefs (0.51252s) stopped
T01 >> 1462338595.11300397 Send coefs to domains (8.91251s) started
T01 << 1462338595.16058207 Send coefs to domains (8.96008s) stopped
T01 << 1462338595.16083002 Blacs Orbital Layouts (495.07092s) stopped
T01 >> 1462338595.16088200 Calculate projections (459.79144s) started
T01 << 1462338597.64317989 Calculate projections (462.27374s) stopped
T01 << 1462338597.64359093 LCAO eigensolver (1453.62800s) stopped
T01 >> 1462338597.64422703 Density (352.00091s) started
T01 >> 1462338597.64423895 Pseudo density (290.07722s) started
T01 >> 1462338597.64457512 Calculate density matrix (260.56906s) started
T01 << 1462338599.22413707 Calculate density matrix (262.14862s) stopped
T01 >> 1462338599.22420812 Construct density (29.08273s) started
T01 << 1462338599.39159703 Construct density (29.25012s) stopped
T01 >> 1462338599.39272594 Symmetrize density (0.00731s) started
T01 << 1462338599.39275503 Symmetrize density (0.00734s) stopped
T01 << 1462338599.39311004 Pseudo density (291.82610s) stopped
T01 >> 1462338599.39312911 Atomic density matrices (40.95467s) started
T01 << 1462338599.62858796 Atomic density matrices (41.19013s) stopped
T01 >> 1462338599.62862492 Multipole moments (0.63486s) started
T01 << 1462338599.63253188 Multipole moments (0.63877s) stopped
T01 >> 1462338599.63255405 Normalize (0.17731s) started
T01 << 1462338599.63352203 Normalize (0.17827s) stopped
T01 >> 1462338599.63355207 Mix (20.14577s) started
T01 << 1462338599.75498796 Mix (20.26721s) stopped
T01 << 1462338599.75508904 Density (354.11177s) stopped
T01 >> 1462338599.75523996 Hamiltonian (4029.43993s) started
T01 >> 1462338599.75526309 vbar (1.98429s) started
T01 << 1462338599.76569891 vbar (1.99473s) stopped
T01 >> 1462338599.76575208 XC 3D grid (1746.16666s) started
T01 >> 1462338599.94785094 van der Waals (1684.65470s) started
T01 >> 1462338599.98703098 semilocal (385.99381s) started
T01 << 1462338602.22506499 semilocal (388.23185s) stopped
T01 >> 1462338602.25672603 redistribute (192.35406s) started
T01 << 1462338602.63132691 redistribute (192.72867s) stopped
T01 >> 1462338602.63140297 libvdwxc nonlocal (1093.52286s) started
T01 << 1462338608.89789009 libvdwxc nonlocal (1099.78934s) stopped
T01 >> 1462338608.89795804 redistribute (192.72871s) started
T01 << 1462338609.61991596 redistribute (193.45067s) stopped
T01 << 1462338609.62138200 van der Waals (1694.32823s) stopped
T01 << 1462338609.79991603 XC 3D grid (1756.20082s) stopped
T01 >> 1462338609.79997301 Poisson (381.73649s) started
T01 << 1462338612.10183096 Poisson (384.03835s) stopped
T01 >> 1462338612.10191011 Hartree integrate/restrict (13.73450s) started
T01 << 1462338612.11688209 Hartree integrate/restrict (13.74947s) stopped
T01 >> 1462338612.11703610 Hartree integrate/restrict (13.74958s) started
T01 << 1462338612.18034697 Hartree integrate/restrict (13.81289s) stopped
T01 >> 1462338612.20574188 Atomic (1078.89265s) started
T01 >> 1462338612.21556211 XC Correction (1076.72988s) started
T01 << 1462338618.52170706 XC Correction (1083.03603s) stopped
T01 << 1462338618.52470303 Atomic (1085.21161s) stopped
T01 >> 1462338618.52482295 Communicate (803.06051s) started
T01 << 1462338623.16218996 Communicate (807.69787s) stopped
T01 << 1462338623.16221189 Hamiltonian (4052.84690s) stopped
T01 >> 1462338623.16227388 LCAO eigensolver (1453.62802s) started
T01 >> 1462338623.16228795 Potential matrix (46.06116s) started
T01 << 1462338623.41467500 Potential matrix (46.31355s) stopped
T01 >> 1462338623.41473508 DistributedAtomicCorrection (243.21042s) started
T01 << 1462338624.71846390 DistributedAtomicCorrection (244.51415s) stopped
T01 >> 1462338624.71852303 Distribute overlap matrix (206.86072s) started
T01 >> 1462338624.71854401 blocked summation (196.17862s) started
T01 << 1462338625.81994700 blocked summation (197.28002s) stopped
T01 >> 1462338625.82157803 Scalapack redistribute (10.43108s) started
T01 << 1462338625.88322401 Scalapack redistribute (10.49272s) stopped
T01 << 1462338625.88329911 Distribute overlap matrix (208.02549s) stopped
T01 >> 1462338625.88387299 Blacs Orbital Layouts (495.07094s) started
T01 >> 1462338625.88603902 General diagonalize (485.34887s) started
T01 << 1462338628.49774790 General diagonalize (487.96058s) stopped
T01 >> 1462338628.49780011 Redistribute coefs (0.51255s) started
T01 << 1462338628.50008011 Redistribute coefs (0.51483s) stopped
T01 >> 1462338628.50013494 Send coefs to domains (8.96012s) started
T01 << 1462338628.54962897 Send coefs to domains (9.00961s) stopped
T01 << 1462338628.55006790 Blacs Orbital Layouts (497.73713s) stopped
T01 >> 1462338628.55011511 Calculate projections (462.27378s) started
T01 << 1462338631.03077412 Calculate projections (464.75444s) stopped
T01 << 1462338631.03102803 LCAO eigensolver (1461.49677s) stopped
T01 >> 1462338631.03165793 Density (354.11179s) started
T01 >> 1462338631.03167009 Pseudo density (291.82611s) started
T01 >> 1462338631.03200197 Calculate density matrix (262.14865s) started
T01 << 1462338632.60895896 Calculate density matrix (263.72561s) stopped
T01 >> 1462338632.60902905 Construct density (29.25015s) started
T01 << 1462338632.77657700 Construct density (29.41770s) stopped
T01 >> 1462338632.77772093 Symmetrize density (0.00735s) started
T01 << 1462338632.77775002 Symmetrize density (0.00738s) stopped
T01 << 1462338632.77810693 Pseudo density (293.57255s) stopped
T01 >> 1462338632.77812600 Atomic density matrices (41.19015s) started
T01 << 1462338633.01296401 Atomic density matrices (41.42499s) stopped
T01 >> 1462338633.01299810 Multipole moments (0.63879s) started
T01 << 1462338633.01696801 Multipole moments (0.64276s) stopped
T01 >> 1462338633.01699090 Normalize (0.17830s) started
T01 << 1462338633.01795697 Normalize (0.17926s) stopped
T01 >> 1462338633.01798797 Mix (20.26731s) started
T01 << 1462338633.14037204 Mix (20.38969s) stopped
T01 << 1462338633.14041901 Density (356.22055s) stopped
T01 >> 1462338633.14053607 Hamiltonian (4052.84692s) started
T01 >> 1462338633.14055610 vbar (1.99476s) started
T01 << 1462338633.15048003 vbar (2.00468s) stopped
T01 >> 1462338633.15053511 XC 3D grid (1756.20087s) started
T01 >> 1462338633.32784295 van der Waals (1694.32826s) started
T01 >> 1462338633.36816406 semilocal (388.23192s) started
T01 << 1462338635.59165192 semilocal (390.45541s) stopped
T01 >> 1462338635.62363911 redistribute (193.45070s) started
T01 << 1462338636.02020407 redistribute (193.84727s) stopped
T01 >> 1462338636.02027202 libvdwxc nonlocal (1099.78938s) started
T01 << 1462338642.31516004 libvdwxc nonlocal (1106.08427s) stopped
T01 >> 1462338642.31521893 redistribute (193.84731s) started
T01 << 1462338643.03730607 redistribute (194.56940s) stopped
T01 << 1462338643.03839707 van der Waals (1704.03881s) stopped
T01 << 1462338643.22977400 XC 3D grid (1766.28011s) stopped
T01 >> 1462338643.22981405 Poisson (384.03841s) started
T01 << 1462338645.53766608 Poisson (386.34626s) stopped
T01 >> 1462338645.53772998 Hartree integrate/restrict (13.81293s) started
T01 << 1462338645.55313301 Hartree integrate/restrict (13.82834s) stopped
T01 >> 1462338645.55317712 Hartree integrate/restrict (13.82836s) started
T01 << 1462338645.61631799 Hartree integrate/restrict (13.89151s) stopped
T01 >> 1462338645.63957310 Atomic (1085.21163s) started
T01 >> 1462338645.64942694 XC Correction (1083.03605s) started
T01 << 1462338651.95237899 XC Correction (1089.33900s) stopped
T01 << 1462338651.95538497 Atomic (1091.52744s) stopped
T01 >> 1462338651.95550799 Communicate (807.69789s) started
T01 << 1462338656.60853100 Communicate (812.35091s) stopped
T01 << 1462338656.60855603 Hamiltonian (4076.31494s) stopped
T01 >> 1462338656.60862088 LCAO eigensolver (1461.49679s) started
T01 >> 1462338656.60863590 Potential matrix (46.31358s) started
T01 << 1462338656.86140490 Potential matrix (46.56635s) stopped
T01 >> 1462338656.86146498 DistributedAtomicCorrection (244.51418s) started
T01 << 1462338658.16247296 DistributedAtomicCorrection (245.81518s) stopped
T01 >> 1462338658.16253090 Distribute overlap matrix (208.02551s) started
T01 >> 1462338658.16255093 blocked summation (197.28005s) started
T01 << 1462338659.26719594 blocked summation (198.38470s) stopped
T01 >> 1462338659.26796103 Scalapack redistribute (10.49275s) started
T01 << 1462338659.32819390 Scalapack redistribute (10.55298s) stopped
T01 << 1462338659.32826805 Distribute overlap matrix (209.19124s) stopped
T01 >> 1462338659.32884789 Blacs Orbital Layouts (497.73715s) started
T01 >> 1462338659.33028197 General diagonalize (487.96061s) started
T01 << 1462338661.92725492 General diagonalize (490.55758s) stopped
T01 >> 1462338661.92730594 Redistribute coefs (0.51486s) started
T01 << 1462338661.93035412 Redistribute coefs (0.51791s) stopped
T01 >> 1462338661.93039107 Send coefs to domains (9.00964s) started
T01 << 1462338661.97918892 Send coefs to domains (9.05844s) stopped
T01 << 1462338661.97943091 Blacs Orbital Layouts (500.38773s) stopped
T01 >> 1462338661.97947407 Calculate projections (464.75449s) started
T01 << 1462338664.46026301 Calculate projections (467.23528s) stopped
T01 << 1462338664.46033096 LCAO eigensolver (1469.34850s) stopped
T01 >> 1462338664.46099210 Density (356.22056s) started
T01 >> 1462338664.46100402 Pseudo density (293.57256s) started
T01 >> 1462338664.46134901 Calculate density matrix (263.72565s) started
T01 << 1462338666.05222392 Calculate density matrix (265.31652s) stopped
T01 >> 1462338666.05228901 Construct density (29.41774s) started
T01 << 1462338666.21977401 Construct density (29.58522s) stopped
T01 >> 1462338666.22091794 Symmetrize density (0.00739s) started
T01 << 1462338666.22094798 Symmetrize density (0.00742s) stopped
T01 << 1462338666.22130394 Pseudo density (295.33286s) stopped
T01 >> 1462338666.22132397 Atomic density matrices (41.42501s) started
T01 << 1462338666.45663691 Atomic density matrices (41.66032s) stopped
T01 >> 1462338666.45667005 Multipole moments (0.64277s) started
T01 << 1462338666.46061897 Multipole moments (0.64672s) stopped
T01 >> 1462338666.46064210 Normalize (0.17929s) started
T01 << 1462338666.46158600 Normalize (0.18023s) stopped
T01 >> 1462338666.46162200 Mix (20.38974s) started
T01 << 1462338666.58470201 Mix (20.51282s) stopped
T01 << 1462338666.58478999 Density (358.34436s) stopped
T01 >> 1462338666.58493090 Hamiltonian (4076.31495s) started
T01 >> 1462338666.58495307 vbar (2.00471s) started
T01 << 1462338666.59503508 vbar (2.01479s) stopped
T01 >> 1462338666.59508705 XC 3D grid (1766.28014s) started
T01 >> 1462338666.77774501 van der Waals (1704.03884s) started
T01 >> 1462338666.81675792 semilocal (390.45552s) started
T01 << 1462338669.04436994 semilocal (392.68314s) stopped
T01 >> 1462338669.07356191 redistribute (194.56945s) started
T01 << 1462338669.46001005 redistribute (194.95590s) stopped
T01 >> 1462338669.46006393 libvdwxc nonlocal (1106.08430s) started
T01 << 1462338675.75348902 libvdwxc nonlocal (1112.37773s) stopped
T01 >> 1462338675.75355005 redistribute (194.95593s) started
T01 << 1462338676.47624898 redistribute (195.67863s) stopped
T01 << 1462338676.47725010 van der Waals (1713.73834s) stopped
T01 << 1462338676.65961003 XC 3D grid (1776.34466s) stopped
T01 >> 1462338676.65965295 Poisson (386.34631s) started
T01 << 1462338678.96792793 Poisson (388.65458s) stopped
T01 >> 1462338678.96799207 Hartree integrate/restrict (13.89153s) started
T01 << 1462338678.98330903 Hartree integrate/restrict (13.90685s) stopped
T01 >> 1462338678.98345208 Hartree integrate/restrict (13.90695s) started
T01 << 1462338679.04717898 Hartree integrate/restrict (13.97068s) stopped
T01 >> 1462338679.06974411 Atomic (1091.52746s) started
T01 >> 1462338679.07960010 XC Correction (1089.33902s) started
T01 << 1462338685.31210089 XC Correction (1095.57152s) stopped
T01 << 1462338685.31507993 Atomic (1097.77279s) stopped
T01 >> 1462338685.31520104 Communicate (812.35093s) started
T01 << 1462338690.01388907 Communicate (817.04962s) stopped
T01 << 1462338690.01391506 Hamiltonian (4099.74393s) stopped
T01 >> 1462338690.01397800 LCAO eigensolver (1469.34851s) started
T01 >> 1462338690.01400995 Potential matrix (46.56638s) started
T01 << 1462338690.26609397 Potential matrix (46.81847s) stopped
T01 >> 1462338690.26615691 DistributedAtomicCorrection (245.81521s) started
T01 << 1462338691.58308291 DistributedAtomicCorrection (247.13214s) stopped
T01 >> 1462338691.58314204 Distribute overlap matrix (209.19125s) started
T01 >> 1462338691.58316302 blocked summation (198.38473s) started
T01 << 1462338692.66212106 blocked summation (199.46369s) stopped
T01 >> 1462338692.66412091 Scalapack redistribute (10.55301s) started
T01 << 1462338692.72123003 Scalapack redistribute (10.61012s) stopped
T01 << 1462338692.72130299 Distribute overlap matrix (210.32942s) stopped
T01 >> 1462338692.72188997 Blacs Orbital Layouts (500.38775s) started
T01 >> 1462338692.72332191 General diagonalize (490.55762s) started
T01 << 1462338695.34703398 General diagonalize (493.18133s) stopped
T01 >> 1462338695.34708405 Redistribute coefs (0.51794s) started
T01 << 1462338695.34979200 Redistribute coefs (0.52065s) stopped
T01 >> 1462338695.34982896 Send coefs to domains (9.05847s) started
T01 << 1462338695.39742494 Send coefs to domains (9.10607s) stopped
T01 << 1462338695.39772511 Blacs Orbital Layouts (503.06359s) stopped
T01 >> 1462338695.39777303 Calculate projections (467.23533s) started
T01 << 1462338697.87979889 Calculate projections (469.71736s) stopped
T01 << 1462338697.88021111 LCAO eigensolver (1477.21475s) stopped
T01 >> 1462338697.88086510 Density (358.34438s) started
T01 >> 1462338697.88087797 Pseudo density (295.33288s) started
T01 >> 1462338697.88123488 Calculate density matrix (265.31655s) started
T01 << 1462338699.46176505 Calculate density matrix (266.89708s) stopped
T01 >> 1462338699.46183300 Construct density (29.58525s) started
T01 << 1462338699.62932897 Construct density (29.75275s) stopped
T01 >> 1462338699.63045502 Symmetrize density (0.00743s) started
T01 << 1462338699.63048601 Symmetrize density (0.00746s) stopped
T01 << 1462338699.63085103 Pseudo density (297.08285s) stopped
T01 >> 1462338699.63087106 Atomic density matrices (41.66035s) started
T01 << 1462338699.86648703 Atomic density matrices (41.89596s) stopped
T01 >> 1462338699.86651993 Multipole moments (0.64673s) started
T01 << 1462338699.87047005 Multipole moments (0.65068s) stopped
T01 >> 1462338699.87049198 Normalize (0.18025s) started
T01 << 1462338699.87145495 Normalize (0.18122s) stopped
T01 >> 1462338699.87148690 Mix (20.51290s) started
T01 << 1462338699.99313807 Mix (20.63455s) stopped
T01 << 1462338699.99324894 Density (360.45676s) stopped
T01 >> 1462338699.99338603 Hamiltonian (4099.74395s) started
T01 >> 1462338699.99340701 vbar (2.01482s) started
T01 << 1462338700.00373292 vbar (2.02515s) stopped
T01 >> 1462338700.00379395 XC 3D grid (1776.34469s) started
T01 >> 1462338700.18300700 van der Waals (1713.73836s) started
T01 >> 1462338700.22351098 semilocal (392.68322s) started
T01 << 1462338702.46239710 semilocal (394.92211s) stopped
T01 >> 1462338702.49229789 redistribute (195.67866s) started
T01 << 1462338702.88187408 redistribute (196.06823s) stopped
T01 >> 1462338702.88195395 libvdwxc nonlocal (1112.37776s) started
T01 << 1462338709.24115705 libvdwxc nonlocal (1118.73697s) stopped
T01 >> 1462338709.24122906 redistribute (196.06828s) started
T01 << 1462338709.97492003 redistribute (196.80198s) stopped
T01 << 1462338709.97706008 van der Waals (1723.53241s) stopped
T01 << 1462338710.14932799 XC 3D grid (1786.49022s) stopped
T01 >> 1462338710.14937806 Poisson (388.65463s) started
T01 << 1462338711.88946891 Poisson (390.39472s) stopped
T01 >> 1462338711.88953900 Hartree integrate/restrict (13.97072s) started
T01 << 1462338711.90484691 Hartree integrate/restrict (13.98603s) stopped
T01 >> 1462338711.90500593 Hartree integrate/restrict (13.98614s) started
T01 << 1462338711.97305202 Hartree integrate/restrict (14.05418s) stopped
T01 >> 1462338711.99131608 Atomic (1097.77281s) started
T01 >> 1462338712.00112796 XC Correction (1095.57154s) started
T01 << 1462338718.23727393 XC Correction (1101.80769s) stopped
T01 << 1462338718.24027991 Atomic (1104.02177s) stopped
T01 >> 1462338718.24040198 Communicate (817.04963s) started
T01 << 1462338722.84316397 Communicate (821.65240s) stopped
T01 << 1462338722.84318900 Hamiltonian (4122.59375s) stopped
T01 >> 1462338722.84325409 LCAO eigensolver (1477.21477s) started
T01 >> 1462338722.84326696 Potential matrix (46.81850s) started
T01 << 1462338723.09633088 Potential matrix (47.07157s) stopped
T01 >> 1462338723.09639096 DistributedAtomicCorrection (247.13217s) started
T01 << 1462338724.41259789 DistributedAtomicCorrection (248.44837s) stopped
T01 >> 1462338724.41266108 Distribute overlap matrix (210.32943s) started
T01 >> 1462338724.41268206 blocked summation (199.46372s) started
T01 << 1462338725.50071192 blocked summation (200.55175s) stopped
T01 >> 1462338725.50225806 Scalapack redistribute (10.61015s) started
T01 << 1462338725.56155801 Scalapack redistribute (10.66945s) stopped
T01 << 1462338725.56163096 Distribute overlap matrix (211.47840s) stopped
T01 >> 1462338725.56218600 Blacs Orbital Layouts (503.06360s) started
T01 >> 1462338725.56435800 General diagonalize (493.18136s) started
T01 << 1462338728.17021799 General diagonalize (495.78722s) stopped
T01 >> 1462338728.17026997 Redistribute coefs (0.52068s) started
T01 << 1462338728.17265701 Redistribute coefs (0.52307s) stopped
T01 >> 1462338728.17269397 Send coefs to domains (9.10611s) started
T01 << 1462338728.22096395 Send coefs to domains (9.15438s) stopped
T01 << 1462338728.22140288 Blacs Orbital Layouts (505.72282s) stopped
T01 >> 1462338728.22145605 Calculate projections (469.71741s) started
T01 << 1462338730.70210099 Calculate projections (472.19805s) stopped
T01 << 1462338730.70235205 LCAO eigensolver (1485.07386s) stopped
T01 >> 1462338730.70299506 Density (360.45678s) started
T01 >> 1462338730.70300698 Pseudo density (297.08286s) started
T01 >> 1462338730.70335507 Calculate density matrix (266.89712s) started
T01 << 1462338732.28659797 Calculate density matrix (268.48036s) stopped
T01 >> 1462338732.28667092 Construct density (29.75278s) started
T01 << 1462338732.45421004 Construct density (29.92032s) stopped
T01 >> 1462338732.45626807 Symmetrize density (0.00747s) started
T01 << 1462338732.45629692 Symmetrize density (0.00750s) stopped
T01 << 1462338732.45666409 Pseudo density (298.83652s) stopped
T01 >> 1462338732.45668411 Atomic density matrices (41.89599s) started
T01 << 1462338732.69080591 Atomic density matrices (42.13011s) stopped
T01 >> 1462338732.69083905 Multipole moments (0.65070s) started
T01 << 1462338732.69480300 Multipole moments (0.65466s) stopped
T01 >> 1462338732.69482493 Normalize (0.18124s) started
T01 << 1462338732.69578099 Normalize (0.18219s) stopped
T01 >> 1462338732.69581509 Mix (20.63466s) started
T01 << 1462338732.81885505 Mix (20.75770s) stopped
T01 << 1462338732.81896305 Density (362.57275s) stopped
T01 >> 1462338732.81909204 Hamiltonian (4122.59376s) started
T01 >> 1462338732.81911206 vbar (2.02518s) started
T01 << 1462338732.82958889 vbar (2.03566s) stopped
T01 >> 1462338732.82964993 XC 3D grid (1786.49026s) started
T01 >> 1462338733.01360106 van der Waals (1723.53253s) started
T01 >> 1462338733.05344510 semilocal (394.92215s) started
T01 << 1462338735.28518200 semilocal (397.15389s) stopped
T01 >> 1462338735.31679392 redistribute (196.80209s) started
T01 << 1462338735.69921398 redistribute (197.18451s) stopped
T01 >> 1462338735.69929504 libvdwxc nonlocal (1118.73701s) started
T01 << 1462338741.97968888 libvdwxc nonlocal (1125.01740s) stopped
T01 >> 1462338741.97974610 redistribute (197.18456s) started
T01 << 1462338742.71007705 redistribute (197.91489s) stopped
T01 << 1462338742.71116996 van der Waals (1733.23010s) stopped
T01 << 1462338742.89212799 XC 3D grid (1796.55274s) stopped
T01 >> 1462338742.89216709 Poisson (390.39478s) started
T01 << 1462338744.64669609 Poisson (392.14931s) stopped
T01 >> 1462338744.64674592 Hartree integrate/restrict (14.05422s) started
T01 << 1462338744.66202807 Hartree integrate/restrict (14.06950s) stopped
T01 >> 1462338744.66209507 Hartree integrate/restrict (14.06954s) started
T01 << 1462338744.72530603 Hartree integrate/restrict (14.13275s) stopped
T01 >> 1462338744.74881506 Atomic (1104.02179s) started
T01 >> 1462338744.75845194 XC Correction (1101.80771s) started
T01 << 1462338750.94584107 XC Correction (1107.99510s) stopped
T01 << 1462338750.94882989 Atomic (1110.22181s) stopped
T01 >> 1462338750.94895005 Communicate (821.65241s) started
T01 << 1462338755.57681799 Communicate (826.28028s) stopped
T01 << 1462338755.57684207 Hamiltonian (4145.35151s) stopped
T01 >> 1462338755.57690597 LCAO eigensolver (1485.07388s) started
T01 >> 1462338755.57692003 Potential matrix (47.07160s) started
T01 << 1462338755.82878494 Potential matrix (47.32346s) stopped
T01 >> 1462338755.82884693 DistributedAtomicCorrection (248.44840s) started
T01 << 1462338757.14169407 DistributedAtomicCorrection (249.76125s) stopped
T01 >> 1462338757.14175296 Distribute overlap matrix (211.47841s) started
T01 >> 1462338757.14177394 blocked summation (200.55178s) started
T01 << 1462338758.23786592 blocked summation (201.64787s) stopped
T01 >> 1462338758.23947501 Scalapack redistribute (10.66948s) started
T01 << 1462338758.30031705 Scalapack redistribute (10.73032s) stopped
T01 << 1462338758.30038500 Distribute overlap matrix (212.63704s) stopped
T01 >> 1462338758.30096793 Blacs Orbital Layouts (505.72284s) started
T01 >> 1462338758.30239511 General diagonalize (495.78725s) started
T01 << 1462338760.89558911 General diagonalize (498.38045s) stopped
T01 >> 1462338760.89564395 Redistribute coefs (0.52309s) started
T01 << 1462338760.89861107 Redistribute coefs (0.52606s) stopped
T01 >> 1462338760.89865088 Send coefs to domains (9.15441s) started
T01 << 1462338760.94842601 Send coefs to domains (9.20418s) stopped
T01 << 1462338760.94866800 Blacs Orbital Layouts (508.37054s) stopped
T01 >> 1462338760.94871712 Calculate projections (472.19810s) started
T01 << 1462338763.42929006 Calculate projections (474.67867s) stopped
T01 << 1462338763.42954493 LCAO eigensolver (1492.92652s) stopped
T01 >> 1462338763.43014908 Density (362.57276s) started
T01 >> 1462338763.43016100 Pseudo density (298.83653s) started
T01 >> 1462338763.43049502 Calculate density matrix (268.48040s) started
T01 << 1462338765.02239394 Calculate density matrix (270.07230s) stopped
T01 >> 1462338765.02246189 Construct density (29.92036s) started
T01 << 1462338765.18987989 Construct density (30.08777s) stopped
T01 >> 1462338765.19101810 Symmetrize density (0.00751s) started
T01 << 1462338765.19104910 Symmetrize density (0.00754s) stopped
T01 << 1462338765.19140792 Pseudo density (300.59778s) stopped
T01 >> 1462338765.19142699 Atomic density matrices (42.13013s) started
T01 << 1462338765.42672610 Atomic density matrices (42.36543s) stopped
T01 >> 1462338765.42675805 Multipole moments (0.65468s) started
T01 << 1462338765.43079495 Multipole moments (0.65871s) stopped
T01 >> 1462338765.43081689 Normalize (0.18222s) started
T01 << 1462338765.43178105 Normalize (0.18318s) stopped
T01 >> 1462338765.43181300 Mix (20.75780s) started
T01 << 1462338765.55460191 Mix (20.88059s) stopped
T01 << 1462338765.55465889 Density (364.69727s) stopped
T01 >> 1462338765.55479002 Hamiltonian (4145.35153s) started
T01 >> 1462338765.55480790 vbar (2.03569s) started
T01 << 1462338765.56450105 vbar (2.04538s) stopped
T01 >> 1462338765.56455493 XC 3D grid (1796.55277s) started
T01 >> 1462338765.74291301 van der Waals (1733.23013s) started
T01 >> 1462338765.78286099 semilocal (397.15394s) started
T01 << 1462338768.01035905 semilocal (399.38143s) stopped
T01 >> 1462338768.04096389 redistribute (197.91495s) started
T01 << 1462338768.44177699 redistribute (198.31576s) stopped
T01 >> 1462338768.44182897 libvdwxc nonlocal (1125.01743s) started
T01 << 1462338774.70730090 libvdwxc nonlocal (1131.28291s) stopped
T01 >> 1462338774.70736599 redistribute (198.31579s) started
T01 << 1462338775.48213911 redistribute (199.09056s) stopped
T01 << 1462338775.48334408 van der Waals (1742.97056s) stopped
T01 << 1462338775.67088199 XC 3D grid (1806.65910s) stopped
T01 >> 1462338775.67092299 Poisson (392.14934s) started
T01 << 1462338777.43715310 Poisson (393.91557s) stopped
T01 >> 1462338777.43722892 Hartree integrate/restrict (14.13278s) started
T01 << 1462338777.45231390 Hartree integrate/restrict (14.14787s) stopped
T01 >> 1462338777.45240903 Hartree integrate/restrict (14.14793s) started
T01 << 1462338777.51725101 Hartree integrate/restrict (14.21277s) stopped
T01 >> 1462338777.54225111 Atomic (1110.22182s) started
T01 >> 1462338777.55202508 XC Correction (1107.99512s) started
T01 << 1462338783.82235408 XC Correction (1114.26545s) stopped
T01 << 1462338783.82533598 Atomic (1116.50491s) stopped
T01 >> 1462338783.82545900 Communicate (826.28030s) started
T01 << 1462338788.39491105 Communicate (830.84975s) stopped
T01 << 1462338788.39493799 Hamiltonian (4168.19167s) stopped
T01 >> 1462338788.39500999 LCAO eigensolver (1492.92654s) started
T01 >> 1462338788.39502406 Potential matrix (47.32350s) started
T01 << 1462338788.64801002 Potential matrix (47.57648s) stopped
T01 >> 1462338788.64807200 DistributedAtomicCorrection (249.76128s) started
T01 << 1462338789.94900608 DistributedAtomicCorrection (251.06221s) stopped
T01 >> 1462338789.94906402 Distribute overlap matrix (212.63705s) started
T01 >> 1462338789.94908500 blocked summation (201.64790s) started
T01 << 1462338791.05052209 blocked summation (202.74934s) stopped
T01 >> 1462338791.05236697 Scalapack redistribute (10.73035s) started
T01 << 1462338791.11157298 Scalapack redistribute (10.78955s) stopped
T01 << 1462338791.11164808 Distribute overlap matrix (213.79964s) stopped
T01 >> 1462338791.11222410 Blacs Orbital Layouts (508.37055s) started
T01 >> 1462338791.11368895 General diagonalize (498.38048s) started
T01 << 1462338793.82761598 General diagonalize (501.09441s) stopped
T01 >> 1462338793.82767105 Redistribute coefs (0.52609s) started
T01 << 1462338793.82989597 Redistribute coefs (0.52832s) stopped
T01 >> 1462338793.82993388 Send coefs to domains (9.20422s) started
T01 << 1462338793.87555504 Send coefs to domains (9.24984s) stopped
T01 << 1462338793.87580705 Blacs Orbital Layouts (511.13414s) stopped
T01 >> 1462338793.87585592 Calculate projections (474.67872s) started
T01 << 1462338796.35598493 Calculate projections (477.15885s) stopped
T01 << 1462338796.35639691 LCAO eigensolver (1500.88792s) stopped
T01 >> 1462338796.35702801 Density (364.69729s) started
T01 >> 1462338796.35703993 Pseudo density (300.59780s) started
T01 >> 1462338796.35736609 Calculate density matrix (270.07233s) started
T01 << 1462338797.93562794 Calculate density matrix (271.65060s) stopped
T01 >> 1462338797.93569899 Construct density (30.08781s) started
T01 << 1462338798.10303998 Construct density (30.25515s) stopped
T01 >> 1462338798.10418606 Symmetrize density (0.00755s) started
T01 << 1462338798.10421705 Symmetrize density (0.00759s) stopped
T01 << 1462338798.10457206 Pseudo density (302.34533s) stopped
T01 >> 1462338798.10459208 Atomic density matrices (42.36545s) started
T01 << 1462338798.34094906 Atomic density matrices (42.60181s) stopped
T01 >> 1462338798.34098196 Multipole moments (0.65873s) started
T01 << 1462338798.34498596 Multipole moments (0.66273s) stopped
T01 >> 1462338798.34500790 Normalize (0.18321s) started
T01 << 1462338798.34595108 Normalize (0.18415s) stopped
T01 >> 1462338798.34598088 Mix (20.88065s) started
T01 << 1462338798.47023106 Mix (21.00490s) stopped
T01 << 1462338798.47031999 Density (366.81058s) stopped
T01 >> 1462338798.47044492 Hamiltonian (4168.19169s) started
T01 >> 1462338798.47046494 vbar (2.04541s) started
T01 << 1462338798.48288989 vbar (2.05784s) stopped
T01 >> 1462338798.48297310 XC 3D grid (1806.65913s) started
T01 >> 1462338798.65709400 van der Waals (1742.97058s) started
T01 >> 1462338798.69790101 semilocal (399.38148s) started
T01 << 1462338800.90248799 semilocal (401.58607s) stopped
T01 >> 1462338800.93586612 redistribute (199.09062s) started
T01 << 1462338801.33639002 redistribute (199.49114s) stopped
T01 >> 1462338801.33644605 libvdwxc nonlocal (1131.28295s) started
T01 << 1462338807.64553189 libvdwxc nonlocal (1137.59203s) stopped
T01 >> 1462338807.64561391 redistribute (199.49117s) started
T01 << 1462338808.38222289 redistribute (200.22778s) stopped
T01 << 1462338808.38343096 van der Waals (1752.69691s) stopped
T01 << 1462338808.56803489 XC 3D grid (1816.74419s) stopped
T01 >> 1462338808.56809402 Poisson (393.91563s) started
T01 << 1462338810.31808090 Poisson (395.66562s) stopped
T01 >> 1462338810.31816411 Hartree integrate/restrict (14.21281s) started
T01 << 1462338810.33332491 Hartree integrate/restrict (14.22797s) stopped
T01 >> 1462338810.33347607 Hartree integrate/restrict (14.22807s) started
T01 << 1462338810.39678192 Hartree integrate/restrict (14.29138s) stopped
T01 >> 1462338810.41742802 Atomic (1116.50492s) started
T01 >> 1462338810.42728591 XC Correction (1114.26547s) started
T01 << 1462338816.70839405 XC Correction (1120.54657s) stopped
T01 << 1462338816.71140909 Atomic (1122.79891s) stopped
T01 >> 1462338816.71153402 Communicate (830.84977s) started
T01 << 1462338821.28079200 Communicate (835.41902s) stopped
T01 << 1462338821.28081799 Hamiltonian (4191.00206s) stopped
T01 >> 1462338821.28088403 LCAO eigensolver (1500.88794s) started
T01 >> 1462338821.28089809 Potential matrix (47.57652s) started
T01 << 1462338821.53405404 Potential matrix (47.82967s) stopped
T01 >> 1462338821.53411293 DistributedAtomicCorrection (251.06224s) started
T01 << 1462338822.84854388 DistributedAtomicCorrection (252.37667s) stopped
T01 >> 1462338822.84860396 Distribute overlap matrix (213.79965s) started
T01 >> 1462338822.84862900 blocked summation (202.74937s) started
T01 << 1462338823.95411897 blocked summation (203.85486s) stopped
T01 >> 1462338823.95575690 Scalapack redistribute (10.78958s) started
T01 << 1462338824.01451302 Scalapack redistribute (10.84834s) stopped
T01 << 1462338824.01459098 Distribute overlap matrix (214.96564s) stopped
T01 >> 1462338824.01516891 Blacs Orbital Layouts (511.13415s) started
T01 >> 1462338824.01732707 General diagonalize (501.09444s) started
T01 << 1462338826.69171095 General diagonalize (503.76883s) stopped
T01 >> 1462338826.69176292 Redistribute coefs (0.52835s) started
T01 << 1462338826.69385505 Redistribute coefs (0.53044s) stopped
T01 >> 1462338826.69389606 Send coefs to domains (9.24987s) started
T01 << 1462338826.73702002 Send coefs to domains (9.29300s) stopped
T01 << 1462338826.73746991 Blacs Orbital Layouts (513.85645s) stopped
T01 >> 1462338826.73752403 Calculate projections (477.15889s) started
T01 << 1462338829.21902299 Calculate projections (479.64039s) stopped
T01 << 1462338829.21928000 LCAO eigensolver (1508.82634s) stopped
T01 >> 1462338829.21991491 Density (366.81060s) started
T01 >> 1462338829.21992803 Pseudo density (302.34534s) started
T01 >> 1462338829.22025490 Calculate density matrix (271.65063s) started
T01 << 1462338830.79458308 Calculate density matrix (273.22496s) stopped
T01 >> 1462338830.79465699 Construct density (30.25518s) started
T01 << 1462338830.96210098 Construct density (30.42262s) stopped
T01 >> 1462338830.96321201 Symmetrize density (0.00760s) started
T01 << 1462338830.96324205 Symmetrize density (0.00763s) stopped
T01 << 1462338830.96359897 Pseudo density (304.08901s) stopped
T01 >> 1462338830.96362209 Atomic density matrices (42.60183s) started
T01 << 1462338831.19934011 Atomic density matrices (42.83755s) stopped
T01 >> 1462338831.19937491 Multipole moments (0.66275s) started
T01 << 1462338831.20344496 Multipole moments (0.66682s) stopped
T01 >> 1462338831.20346689 Normalize (0.18417s) started
T01 << 1462338831.20442390 Normalize (0.18513s) stopped
T01 >> 1462338831.20445395 Mix (21.00498s) started
T01 << 1462338831.32332897 Mix (21.12386s) stopped
T01 << 1462338831.32337403 Density (368.91406s) stopped
T01 >> 1462338831.32349110 Hamiltonian (4191.00207s) started
T01 >> 1462338831.32351303 vbar (2.05789s) started
T01 << 1462338831.33698392 vbar (2.07136s) stopped
T01 >> 1462338831.33703804 XC 3D grid (1816.74424s) started
T01 >> 1462338831.51001692 van der Waals (1752.69694s) started
T01 >> 1462338831.55106711 semilocal (401.58616s) started
T01 << 1462338833.76647496 semilocal (403.80156s) stopped
T01 >> 1462338833.79835606 redistribute (200.22783s) started
T01 << 1462338834.19706702 redistribute (200.62654s) stopped
T01 >> 1462338834.19712090 libvdwxc nonlocal (1137.59209s) started
T01 << 1462338840.51430511 libvdwxc nonlocal (1143.90927s) stopped
T01 >> 1462338840.51437211 redistribute (200.62657s) started
T01 << 1462338841.25450802 redistribute (201.36671s) stopped
T01 << 1462338841.25582504 van der Waals (1762.44274s) stopped
T01 << 1462338841.43768001 XC 3D grid (1826.84488s) stopped
T01 >> 1462338841.43772006 Poisson (395.66569s) started
T01 << 1462338843.19158411 Poisson (397.41955s) stopped
T01 >> 1462338843.19164610 Hartree integrate/restrict (14.29145s) started
T01 << 1462338843.20662594 Hartree integrate/restrict (14.30643s) stopped
T01 >> 1462338843.20673990 Hartree integrate/restrict (14.30651s) started
T01 << 1462338843.26986098 Hartree integrate/restrict (14.36963s) stopped
T01 >> 1462338843.28953004 Atomic (1122.79892s) started
T01 >> 1462338843.29935694 XC Correction (1120.54660s) started
T01 << 1462338849.52147889 XC Correction (1126.76872s) stopped
T01 << 1462338849.52447391 Atomic (1129.03387s) stopped
T01 >> 1462338849.52459311 Communicate (835.41904s) started
T01 << 1462338854.17877698 Communicate (840.07323s) stopped
T01 << 1462338854.17880011 Hamiltonian (4213.85738s) stopped
T01 >> 1462338854.17886209 LCAO eigensolver (1508.82635s) started
T01 >> 1462338854.17887592 Potential matrix (47.82971s) started
T01 << 1462338854.43117094 Potential matrix (48.08200s) stopped
T01 >> 1462338854.43123293 DistributedAtomicCorrection (252.37670s) started
T01 << 1462338855.74656892 DistributedAtomicCorrection (253.69204s) stopped
T01 >> 1462338855.74663091 Distribute overlap matrix (214.96565s) started
T01 >> 1462338855.74665189 blocked summation (203.85489s) started
T01 << 1462338856.85215998 blocked summation (204.96040s) stopped
T01 >> 1462338856.85295010 Scalapack redistribute (10.84837s) started
T01 << 1462338856.91217399 Scalapack redistribute (10.90759s) stopped
T01 << 1462338856.91224599 Distribute overlap matrix (216.13126s) stopped
T01 >> 1462338856.91280198 Blacs Orbital Layouts (513.85647s) started
T01 >> 1462338856.91416693 General diagonalize (503.76886s) started
T01 << 1462338859.60423589 General diagonalize (506.45893s) stopped
T01 >> 1462338859.60428810 Redistribute coefs (0.53047s) started
T01 << 1462338859.60724497 Redistribute coefs (0.53343s) stopped
T01 >> 1462338859.60728192 Send coefs to domains (9.29303s) started
T01 << 1462338859.65091705 Send coefs to domains (9.33666s) stopped
T01 << 1462338859.65115499 Blacs Orbital Layouts (516.59482s) stopped
T01 >> 1462338859.65120292 Calculate projections (479.64044s) started
T01 << 1462338862.13095498 Calculate projections (482.12019s) stopped
T01 << 1462338862.13102102 LCAO eigensolver (1516.77851s) stopped
T01 >> 1462338862.13165903 Density (368.91407s) started
T01 >> 1462338862.13167095 Pseudo density (304.08903s) started
T01 >> 1462338862.13200307 Calculate density matrix (273.22499s) started
T01 << 1462338863.71338797 Calculate density matrix (274.80638s) stopped
T01 >> 1462338863.71345901 Construct density (30.42266s) started
T01 << 1462338863.88080192 Construct density (30.59000s) stopped
T01 >> 1462338863.88192892 Symmetrize density (0.00764s) started
T01 << 1462338863.88195896 Symmetrize density (0.00767s) stopped
T01 << 1462338863.88231492 Pseudo density (305.83967s) stopped
T01 >> 1462338863.88233399 Atomic density matrices (42.83757s) started
T01 << 1462338864.11832690 Atomic density matrices (43.07356s) stopped
T01 >> 1462338864.11836100 Multipole moments (0.66683s) started
T01 << 1462338864.12243009 Multipole moments (0.67090s) stopped
T01 >> 1462338864.12245202 Normalize (0.18515s) started
T01 << 1462338864.12340808 Normalize (0.18610s) stopped
T01 >> 1462338864.12343907 Mix (21.12390s) started
T01 << 1462338864.24437189 Mix (21.24483s) stopped
T01 << 1462338864.24442506 Density (371.02684s) stopped
T01 >> 1462338864.24456596 Hamiltonian (4213.85739s) started
T01 >> 1462338864.24458790 vbar (2.07139s) started
T01 << 1462338864.25606489 vbar (2.08286s) stopped
T01 >> 1462338864.25616908 XC 3D grid (1826.84491s) started
T01 >> 1462338864.43698096 van der Waals (1762.44277s) started
T01 >> 1462338864.47683096 semilocal (403.80161s) started
T01 << 1462338866.69942403 semilocal (406.02421s) stopped
T01 >> 1462338866.73050809 redistribute (201.36676s) started
T01 << 1462338867.12702394 redistribute (201.76327s) stopped
T01 >> 1462338867.12707806 libvdwxc nonlocal (1143.90931s) started
T01 << 1462338873.43631101 libvdwxc nonlocal (1150.21854s) stopped
T01 >> 1462338873.43636489 redistribute (201.76330s) started
T01 << 1462338874.18087912 redistribute (202.50782s) stopped
T01 << 1462338874.18211293 van der Waals (1772.18790s) stopped
T01 << 1462338874.36575007 XC 3D grid (1836.95449s) stopped
T01 >> 1462338874.36579204 Poisson (397.41960s) started
T01 << 1462338876.10198593 Poisson (399.15579s) stopped
T01 >> 1462338876.10204911 Hartree integrate/restrict (14.36969s) started
T01 << 1462338876.11734009 Hartree integrate/restrict (14.38498s) stopped
T01 >> 1462338876.11745596 Hartree integrate/restrict (14.38506s) started
T01 << 1462338876.18536091 Hartree integrate/restrict (14.45296s) stopped
T01 >> 1462338876.20344996 Atomic (1129.03388s) started
T01 >> 1462338876.21331096 XC Correction (1126.76874s) started
T01 << 1462338882.54801512 XC Correction (1133.10344s) stopped
T01 << 1462338882.55102205 Atomic (1135.38145s) stopped
T01 >> 1462338882.55114508 Communicate (840.07324s) started
T01 << 1462338887.10532999 Communicate (844.62743s) stopped
T01 << 1462338887.10535693 Hamiltonian (4236.71818s) stopped
T01 >> 1462338887.10542297 LCAO eigensolver (1516.77853s) started
T01 >> 1462338887.10543704 Potential matrix (48.08203s) started
T01 << 1462338887.35798097 Potential matrix (48.33458s) stopped
T01 >> 1462338887.35804391 DistributedAtomicCorrection (253.69206s) started
T01 << 1462338888.66314292 DistributedAtomicCorrection (254.99716s) stopped
T01 >> 1462338888.66320205 Distribute overlap matrix (216.13128s) started
T01 >> 1462338888.66322207 blocked summation (204.96043s) started
T01 << 1462338889.78652191 blocked summation (206.08373s) stopped
T01 >> 1462338889.78858209 Scalapack redistribute (10.90762s) started
T01 << 1462338889.84526610 Scalapack redistribute (10.96430s) stopped
T01 << 1462338889.84534001 Distribute overlap matrix (217.31341s) stopped
T01 >> 1462338889.84592104 Blacs Orbital Layouts (516.59484s) started
T01 >> 1462338889.84732294 General diagonalize (506.45896s) started
T01 << 1462338892.54325294 General diagonalize (509.15489s) stopped
T01 >> 1462338892.54330397 Redistribute coefs (0.53346s) started
T01 << 1462338892.54577494 Redistribute coefs (0.53593s) stopped
T01 >> 1462338892.54581499 Send coefs to domains (9.33669s) started
T01 << 1462338892.58730292 Send coefs to domains (9.37818s) stopped
T01 << 1462338892.58755708 Blacs Orbital Layouts (519.33648s) stopped
T01 >> 1462338892.58760405 Calculate projections (482.12024s) started
T01 << 1462338895.06753492 Calculate projections (484.60017s) stopped
T01 << 1462338895.06795311 LCAO eigensolver (1524.74106s) stopped
T01 >> 1462338895.06858206 Density (371.02685s) started
T01 >> 1462338895.06859398 Pseudo density (305.83969s) started
T01 >> 1462338895.06893396 Calculate density matrix (274.80642s) started
T01 << 1462338896.64607596 Calculate density matrix (276.38356s) stopped
T01 >> 1462338896.64614701 Construct density (30.59003s) started
T01 << 1462338896.81355309 Construct density (30.75744s) stopped
T01 >> 1462338896.81467390 Symmetrize density (0.00768s) started
T01 << 1462338896.81470394 Symmetrize density (0.00771s) stopped
T01 << 1462338896.81505799 Pseudo density (307.58615s) stopped
T01 >> 1462338896.81507707 Atomic density matrices (43.07359s) started
T01 << 1462338897.05120206 Atomic density matrices (43.30971s) stopped
T01 >> 1462338897.05123591 Multipole moments (0.67092s) started
T01 << 1462338897.05528688 Multipole moments (0.67497s) stopped
T01 >> 1462338897.05530906 Normalize (0.18613s) started
T01 << 1462338897.05709291 Normalize (0.18791s) stopped
T01 >> 1462338897.05712390 Mix (21.24488s) started
T01 << 1462338897.17851496 Mix (21.36628s) stopped
T01 << 1462338897.17862797 Density (373.13690s) stopped
T01 >> 1462338897.17878199 Hamiltonian (4236.71820s) started
T01 >> 1462338897.17880297 vbar (2.08293s) started
T01 << 1462338897.18999505 vbar (2.09412s) stopped
T01 >> 1462338897.19005108 XC 3D grid (1836.95452s) started
T01 >> 1462338897.37555695 van der Waals (1772.18793s) started
T01 >> 1462338897.41385102 semilocal (406.02429s) started
T01 << 1462338899.63771892 semilocal (408.24815s) stopped
T01 >> 1462338899.66834402 redistribute (202.50785s) started
T01 << 1462338900.06403899 redistribute (202.90354s) stopped
T01 >> 1462338900.06412005 libvdwxc nonlocal (1150.21858s) started
T01 << 1462338906.37526608 libvdwxc nonlocal (1156.52972s) stopped
T01 >> 1462338906.37532997 redistribute (202.90360s) started
T01 << 1462338907.12658095 redistribute (203.65485s) stopped
T01 << 1462338907.12848711 van der Waals (1781.94086s) stopped
T01 << 1462338907.30040002 XC 3D grid (1847.06487s) stopped
T01 >> 1462338907.30045509 Poisson (399.15584s) started
T01 << 1462338909.05444193 Poisson (400.90983s) stopped
T01 >> 1462338909.05452299 Hartree integrate/restrict (14.45300s) started
T01 << 1462338909.06993294 Hartree integrate/restrict (14.46841s) stopped
T01 >> 1462338909.07007790 Hartree integrate/restrict (14.46851s) started
T01 << 1462338909.13353992 Hartree integrate/restrict (14.53197s) stopped
T01 >> 1462338909.15719199 Atomic (1135.38147s) started
T01 >> 1462338909.16700506 XC Correction (1133.10346s) started
T01 << 1462338915.40563989 XC Correction (1139.34210s) stopped
T01 << 1462338915.40864110 Atomic (1141.63292s) stopped
T01 >> 1462338915.40876007 Communicate (844.62745s) started
T01 << 1462338920.05764008 Communicate (849.27633s) stopped
T01 << 1462338920.05766702 Hamiltonian (4259.59708s) stopped
T01 >> 1462338920.05773807 LCAO eigensolver (1524.74107s) started
T01 >> 1462338920.05775189 Potential matrix (48.33461s) started
T01 << 1462338920.31079197 Potential matrix (48.58765s) stopped
T01 >> 1462338920.31085610 DistributedAtomicCorrection (254.99719s) started
T01 << 1462338921.62723207 DistributedAtomicCorrection (256.31357s) stopped
T01 >> 1462338921.62729001 Distribute overlap matrix (217.31343s) started
T01 >> 1462338921.62731099 blocked summation (206.08376s) started
T01 << 1462338922.72077894 blocked summation (207.17723s) stopped
T01 >> 1462338922.72238708 Scalapack redistribute (10.96433s) started
T01 << 1462338922.77994108 Scalapack redistribute (11.02188s) stopped
T01 << 1462338922.78001094 Distribute overlap matrix (218.46615s) stopped
T01 >> 1462338922.78057408 Blacs Orbital Layouts (519.33649s) started
T01 >> 1462338922.78271389 General diagonalize (509.15492s) started
T01 << 1462338925.49320292 General diagonalize (511.86541s) stopped
T01 >> 1462338925.49325490 Redistribute coefs (0.53596s) started
T01 << 1462338925.49560094 Redistribute coefs (0.53830s) stopped
T01 >> 1462338925.49564195 Send coefs to domains (9.37821s) started
T01 << 1462338925.53821611 Send coefs to domains (9.42079s) stopped
T01 << 1462338925.53869009 Blacs Orbital Layouts (522.09461s) stopped
T01 >> 1462338925.53874111 Calculate projections (484.60022s) started
T01 << 1462338928.02018499 Calculate projections (487.08166s) stopped
T01 << 1462338928.02044010 LCAO eigensolver (1532.70378s) stopped
T01 >> 1462338928.02110505 Density (373.13691s) started
T01 >> 1462338928.02111697 Pseudo density (307.58617s) started
T01 >> 1462338928.02146506 Calculate density matrix (276.38360s) started
T01 << 1462338929.59820700 Calculate density matrix (277.96034s) stopped
T01 >> 1462338929.59827495 Construct density (30.75747s) started
T01 << 1462338929.76568890 Construct density (30.92488s) stopped
T01 >> 1462338929.76775908 Symmetrize density (0.00772s) started
T01 << 1462338929.76778698 Symmetrize density (0.00775s) stopped
T01 << 1462338929.76814699 Pseudo density (309.33320s) stopped
T01 >> 1462338929.76816702 Atomic density matrices (43.30973s) started
T01 << 1462338930.00342107 Atomic density matrices (43.54499s) stopped
T01 >> 1462338930.00345302 Multipole moments (0.67498s) started
T01 << 1462338930.00746608 Multipole moments (0.67900s) stopped
T01 >> 1462338930.00748801 Normalize (0.18793s) started
T01 << 1462338930.00844002 Normalize (0.18889s) stopped
T01 >> 1462338930.00847006 Mix (21.36638s) started
T01 << 1462338930.12882400 Mix (21.48673s) stopped
T01 << 1462338930.12887311 Density (375.24468s) stopped
T01 >> 1462338930.12897897 Hamiltonian (4259.59710s) started
T01 >> 1462338930.12899804 vbar (2.09415s) started
T01 << 1462338930.14205098 vbar (2.10720s) stopped
T01 >> 1462338930.14212704 XC 3D grid (1847.06492s) started
T01 >> 1462338930.31576705 van der Waals (1781.94095s) started
T01 >> 1462338930.35559893 semilocal (408.24826s) started
T01 << 1462338932.55662704 semilocal (410.44928s) stopped
T01 >> 1462338932.58848190 redistribute (203.65493s) started
T01 << 1462338932.98709106 redistribute (204.05354s) stopped
T01 >> 1462338932.98714590 libvdwxc nonlocal (1156.52976s) started
T01 << 1462338939.36846399 libvdwxc nonlocal (1162.91108s) stopped
T01 >> 1462338939.36854196 redistribute (204.05357s) started
T01 << 1462338940.10030794 redistribute (204.78534s) stopped
T01 << 1462338940.10167789 van der Waals (1791.72686s) stopped
T01 << 1462338940.28334904 XC 3D grid (1857.20614s) stopped
T01 >> 1462338940.28338790 Poisson (400.90989s) started
T01 << 1462338942.02658606 Poisson (402.65309s) stopped
T01 >> 1462338942.02665401 Hartree integrate/restrict (14.53201s) started
T01 << 1462338942.04208899 Hartree integrate/restrict (14.54745s) stopped
T01 >> 1462338942.04214406 Hartree integrate/restrict (14.54748s) started
T01 << 1462338942.10492206 Hartree integrate/restrict (14.61026s) stopped
T01 >> 1462338942.12857008 Atomic (1141.63294s) started
T01 >> 1462338942.13838696 XC Correction (1139.34212s) started
T01 << 1462338948.38426590 XC Correction (1145.58800s) stopped
T01 << 1462338948.38725710 Atomic (1147.89162s) stopped
T01 >> 1462338948.38738108 Communicate (849.27634s) started
T01 << 1462338952.97147107 Communicate (853.86043s) stopped
T01 << 1462338952.97149396 Hamiltonian (4282.43961s) stopped
T01 >> 1462338952.97155690 LCAO eigensolver (1532.70379s) started
T01 >> 1462338952.97157001 Potential matrix (48.58769s) started
T01 << 1462338953.22511792 Potential matrix (48.84123s) stopped
T01 >> 1462338953.22518206 DistributedAtomicCorrection (256.31360s) started
T01 << 1462338954.53388691 DistributedAtomicCorrection (257.62230s) stopped
T01 >> 1462338954.53394699 Distribute overlap matrix (218.46616s) started
T01 >> 1462338954.53396797 blocked summation (207.17726s) started
T01 << 1462338955.63777900 blocked summation (208.28107s) stopped
T01 >> 1462338955.63941693 Scalapack redistribute (11.02191s) started
T01 << 1462338955.69769192 Scalapack redistribute (11.08019s) stopped
T01 << 1462338955.69776392 Distribute overlap matrix (219.62998s) stopped
T01 >> 1462338955.69833899 Blacs Orbital Layouts (522.09463s) started
T01 >> 1462338955.69975901 General diagonalize (511.86544s) started
T01 << 1462338958.36418390 General diagonalize (514.52987s) stopped
T01 >> 1462338958.36423492 Redistribute coefs (0.53833s) started
T01 << 1462338958.36717606 Redistribute coefs (0.54128s) stopped
T01 >> 1462338958.36721301 Send coefs to domains (9.42082s) started
T01 << 1462338958.40907407 Send coefs to domains (9.46268s) stopped
T01 << 1462338958.40932798 Blacs Orbital Layouts (524.80562s) stopped
T01 >> 1462338958.40937901 Calculate projections (487.08171s) started
T01 << 1462338960.88914895 Calculate projections (489.56148s) stopped
T01 << 1462338960.88940811 LCAO eigensolver (1540.62165s) stopped
T01 << 1462338960.89002204 SCF-cycle (6198.45989s) stopped
T01 >> 1462338961.77802706 Force calculation (201.06198s) started
T01 >> 1462338961.77808189 LCAO forces (128.93863s) started
T01 >> 1462338961.77841592 Initial (0.00016s) started
T01 << 1462338961.77842593 Initial (0.00017s) stopped
T01 >> 1462338961.78274989 Get density matrix (24.49108s) started
T01 << 1462338962.38734007 Get density matrix (25.09567s) stopped
T01 >> 1462338962.38740206 Potential (9.38146s) started
T01 << 1462338963.71077394 Potential (10.70483s) stopped
T01 >> 1462338963.71083307 Get density matrix (25.09570s) started
T01 << 1462338966.65828395 Get density matrix (28.04315s) stopped
T01 >> 1462338966.65841293 Prepare TCI loop (13.37265s) started
T01 >> 1462338966.65887594 Get neighbors (11.28573s) started
T01 << 1462338968.30254889 Get neighbors (12.92941s) stopped
T01 >> 1462338968.30278301 broadcast dH (2.08211s) started
T01 << 1462338968.62431598 broadcast dH (2.40364s) stopped
T01 << 1462338968.62435889 Prepare TCI loop (15.33859s) stopped
T01 >> 1462338968.62437701 Not so complicated loop (17.82813s) started
T01 << 1462338971.17658401 Not so complicated loop (20.38034s) stopped
T01 >> 1462338971.27603698 Complicated loop (63.01988s) started
T01 << 1462338980.28203392 Complicated loop (72.02587s) stopped
T01 >> 1462338980.29024601 Wait for sum (0.00035s) started
T01 << 1462338980.29028201 Wait for sum (0.00038s) stopped
T01 << 1462338980.29029393 LCAO forces (147.45084s) stopped
T01 << 1462338990.67658901 Force calculation (229.96055s) stopped
T01 >> 1462338990.69390106 Initialization (395.50654s) started
T01 << 1462338990.69406104 Initialization (395.50670s) stopped
T01 >> 1462338990.69427490 Initialization (395.50672s) started
T01 << 1462338990.69440389 Initialization (395.50685s) stopped
T01 >> 1462338990.69453597 Initialization (395.50686s) started
T01 << 1462338990.69466710 Initialization (395.50699s) stopped
T01 >> 1462339011.02807212 Initialization (395.50701s) started
T01 >> 1462339011.12877607 Basic WFS set positions (0.75321s) started
T01 >> 1462339011.12879992 Redistribute (0.01963s) started
T01 << 1462339011.12893391 Redistribute (0.01976s) stopped
T01 << 1462339011.22405100 Basic WFS set positions (0.84848s) stopped
T01 >> 1462339011.22408009 Basis functions set positions (3.40779s) started
T01 << 1462339011.63960409 Basis functions set positions (3.82331s) stopped
T01 >> 1462339011.64021492 TCI: Calculate S, T, P (117.10255s) started
T01 << 1462339026.51065707 TCI: Calculate S, T, P (131.97300s) stopped
T01 >> 1462339026.51073289 blocked summation (31.61535s) started
T01 << 1462339030.41779399 blocked summation (35.52241s) stopped
T01 >> 1462339030.41943598 Scalapack redistribute (1.28926s) started
T01 << 1462339030.47621989 Scalapack redistribute (1.34604s) stopped
T01 >> 1462339030.47654510 blocked summation (35.52245s) started
T01 << 1462339030.63170099 blocked summation (35.67760s) stopped
T01 >> 1462339030.63324594 Scalapack redistribute (1.34609s) started
T01 << 1462339030.83113194 Scalapack redistribute (1.54398s) stopped
T01 >> 1462339030.83212590 Redistribute (0.01414s) started
T01 << 1462339030.83306098 Redistribute (0.01508s) stopped
T01 >> 1462339031.75355697 Redistribute (0.01509s) started
T01 << 1462339031.75447893 Redistribute (0.01601s) stopped
T01 >> 1462339031.76290607 LCAO WFS Initialize (231.77443s) started
T01 >> 1462339031.76293111 Density initialize from wavefunctions (8.35206s) started
T01 >> 1462339031.76325703 Calculate density matrix (4.86531s) started
T01 << 1462339032.46003699 Calculate density matrix (5.56209s) stopped
T01 >> 1462339032.46009111 Construct density (1.17523s) started
T01 << 1462339032.62776899 Construct density (1.34291s) stopped
T01 >> 1462339032.62909794 Symmetrize density (0.00028s) started
T01 << 1462339032.62912607 Symmetrize density (0.00031s) stopped
T01 << 1462339032.95995998 Density initialize from wavefunctions (9.54909s) stopped
T01 >> 1462339032.96055388 Hamiltonian (223.22331s) started
T01 >> 1462339032.96058106 vbar (0.09731s) started
T01 << 1462339032.97359610 vbar (0.11033s) stopped
T01 >> 1462339032.97365689 XC 3D grid (80.54435s) started
T01 >> 1462339033.15114594 van der Waals (77.71535s) started
T01 >> 1462339033.19188809 semilocal (17.83263s) started
T01 << 1462339035.40953994 semilocal (20.05029s) stopped
T01 >> 1462339035.44166088 redistribute (8.85099s) started
T01 << 1462339035.83550596 redistribute (9.24483s) stopped
T01 >> 1462339035.83557200 libvdwxc nonlocal (50.44443s) started
T01 << 1462339042.14878893 libvdwxc nonlocal (56.75765s) stopped
T01 >> 1462339042.14883089 redistribute (9.24488s) started
T01 << 1462339042.88650799 redistribute (9.98256s) stopped
T01 << 1462339042.88770509 van der Waals (87.45191s) stopped
T01 << 1462339043.07222009 XC 3D grid (90.64291s) stopped
T01 >> 1462339043.07227206 Poisson (39.40688s) started
T01 << 1462339047.68434596 Poisson (44.01896s) stopped
T01 >> 1462339047.68442392 Hartree integrate/restrict (0.62807s) started
T01 << 1462339047.69944811 Hartree integrate/restrict (0.64309s) stopped
T01 >> 1462339047.69959307 Hartree integrate/restrict (0.64320s) started
T01 << 1462339047.76757598 Hartree integrate/restrict (0.71118s) stopped
T01 >> 1462339047.78553605 Atomic (53.06726s) started
T01 >> 1462339047.79515791 XC Correction (52.96667s) started
T01 << 1462339054.37279510 XC Correction (59.54431s) stopped
T01 << 1462339054.37580490 Atomic (59.65753s) stopped
T01 >> 1462339054.37598491 Communicate (49.27885s) started
T01 << 1462339061.22950196 Communicate (56.13237s) stopped
T01 << 1462339061.22952795 Hamiltonian (251.49229s) stopped
T01 << 1462339061.22956991 LCAO WFS Initialize (261.24110s) stopped
T01 << 1462339061.24144411 Initialization (445.72038s) stopped
T01 >> 1462339061.26513791 SCF-cycle (6198.45990s) started
T01 >> 1462339061.26517010 LCAO eigensolver (1540.62166s) started
T01 >> 1462339061.26518297 Potential matrix (48.84127s) started
T01 << 1462339061.51861191 Potential matrix (49.09470s) stopped
T01 >> 1462339061.51867700 DistributedAtomicCorrection (257.62233s) started
T01 << 1462339062.82433009 DistributedAtomicCorrection (258.92798s) stopped
T01 >> 1462339062.82438803 Distribute overlap matrix (219.62999s) started
T01 >> 1462339062.82440901 blocked summation (208.28110s) started
T01 << 1462339063.92182302 blocked summation (209.37852s) stopped
T01 >> 1462339063.92261004 Scalapack redistribute (11.08021s) started
T01 << 1462339063.98129296 Scalapack redistribute (11.13890s) stopped
T01 << 1462339063.98137403 Distribute overlap matrix (220.78697s) stopped
T01 >> 1462339063.98194003 Blacs Orbital Layouts (524.80563s) started
T01 >> 1462339063.98248410 General diagonalize (514.52990s) started
T01 << 1462339066.66086888 General diagonalize (517.20828s) stopped
T01 >> 1462339066.66091108 Redistribute coefs (0.54130s) started
T01 << 1462339066.66345310 Redistribute coefs (0.54385s) stopped
T01 >> 1462339066.66349196 Send coefs to domains (9.46271s) started
T01 << 1462339066.70613289 Send coefs to domains (9.50535s) stopped
T01 << 1462339066.70617890 Blacs Orbital Layouts (527.52987s) stopped
T01 >> 1462339066.70619988 Calculate projections (489.56153s) started
T01 << 1462339069.18743396 Calculate projections (492.04276s) stopped
T01 << 1462339069.18750095 LCAO eigensolver (1548.54399s) stopped
T01 >> 1462339069.18809390 Density (375.24470s) started
T01 >> 1462339069.18810606 Pseudo density (309.33321s) started
T01 >> 1462339069.18846512 Calculate density matrix (277.96037s) started
T01 << 1462339070.73334193 Calculate density matrix (279.50525s) stopped
T01 >> 1462339070.73339510 Construct density (30.92492s) started
T01 << 1462339070.90099406 Construct density (31.09251s) stopped
T01 >> 1462339070.90212488 Symmetrize density (0.00776s) started
T01 << 1462339070.90215707 Symmetrize density (0.00779s) stopped
T01 << 1462339070.90252495 Pseudo density (311.04763s) stopped
T01 >> 1462339070.90254402 Atomic density matrices (43.54501s) started
T01 << 1462339071.13996410 Atomic density matrices (43.78243s) stopped
T01 >> 1462339071.13999701 Multipole moments (0.67901s) started
T01 << 1462339071.14408898 Multipole moments (0.68311s) stopped
T01 >> 1462339071.14411092 Normalize (0.18891s) started
T01 << 1462339071.14519811 Normalize (0.18999s) stopped
T01 >> 1462339071.14522910 Mix (21.48678s) started
T01 << 1462339071.25072002 Mix (21.59227s) stopped
T01 << 1462339071.25076795 Density (377.30737s) stopped
T01 >> 1462339071.25088096 Hamiltonian (4282.43962s) started
T01 >> 1462339071.25090194 vbar (2.10724s) started
T01 << 1462339071.26371193 vbar (2.12005s) stopped
T01 >> 1462339071.26376510 XC 3D grid (1857.20617s) started
T01 >> 1462339071.44200897 van der Waals (1791.72688s) started
T01 >> 1462339071.48266196 semilocal (410.44938s) started
T01 << 1462339073.72570896 semilocal (412.69243s) stopped
T01 >> 1462339073.75677991 redistribute (204.78539s) started
T01 << 1462339074.13058591 redistribute (205.15919s) stopped
T01 >> 1462339074.13064408 libvdwxc nonlocal (1162.91112s) started
T01 << 1462339080.49301100 libvdwxc nonlocal (1169.27349s) stopped
T01 >> 1462339080.49306393 redistribute (205.15922s) started
T01 << 1462339081.22917700 redistribute (205.89534s) stopped
T01 << 1462339081.23010302 van der Waals (1801.51498s) stopped
T01 << 1462339081.41227794 XC 3D grid (1867.35468s) stopped
T01 >> 1462339081.41231608 Poisson (402.65314s) started
T01 << 1462339083.73559403 Poisson (404.97642s) stopped
T01 >> 1462339083.73564792 Hartree integrate/restrict (14.61029s) started
T01 << 1462339083.75087404 Hartree integrate/restrict (14.62552s) stopped
T01 >> 1462339083.75096703 Hartree integrate/restrict (14.62559s) started
T01 << 1462339083.81528497 Hartree integrate/restrict (14.68991s) stopped
T01 >> 1462339083.83862591 Atomic (1147.89164s) started
T01 >> 1462339083.84810305 XC Correction (1145.58802s) started
T01 << 1462339090.48370004 XC Correction (1152.22361s) stopped
T01 << 1462339090.48664689 Atomic (1154.53966s) stopped
T01 >> 1462339090.48676205 Communicate (853.86045s) started
T01 << 1462339096.91568589 Communicate (860.28937s) stopped
T01 << 1462339096.91571093 Hamiltonian (4308.10445s) stopped
T01 >> 1462339096.91577196 LCAO eigensolver (1548.54401s) started
T01 >> 1462339096.91578603 Potential matrix (49.09474s) started
T01 << 1462339097.17370701 Potential matrix (49.35266s) stopped
T01 >> 1462339097.17377210 DistributedAtomicCorrection (258.92801s) started
T01 << 1462339098.47615409 DistributedAtomicCorrection (260.23039s) stopped
T01 >> 1462339098.47621202 Distribute overlap matrix (220.78699s) started
T01 >> 1462339098.47623301 blocked summation (209.37855s) started
T01 << 1462339099.58121896 blocked summation (210.48354s) stopped
T01 >> 1462339099.58202505 Scalapack redistribute (11.13893s) started
T01 << 1462339099.63790393 Scalapack redistribute (11.19481s) stopped
T01 << 1462339099.63797903 Distribute overlap matrix (221.94875s) stopped
T01 >> 1462339099.63854504 Blacs Orbital Layouts (527.52988s) started
T01 >> 1462339099.63908601 General diagonalize (517.20832s) started
T01 << 1462339102.29767299 General diagonalize (519.86690s) stopped
T01 >> 1462339102.29772401 Redistribute coefs (0.54388s) started
T01 << 1462339102.30000806 Redistribute coefs (0.54616s) stopped
T01 >> 1462339102.30008292 Send coefs to domains (9.50539s) started
T01 << 1462339102.34259009 Send coefs to domains (9.54790s) stopped
T01 << 1462339102.34263706 Blacs Orbital Layouts (530.23398s) stopped
T01 >> 1462339102.34267592 Calculate projections (492.04281s) started
T01 << 1462339104.82247710 Calculate projections (494.52261s) stopped
T01 << 1462339104.82254195 LCAO eigensolver (1556.45078s) stopped
T01 >> 1462339104.82314992 Density (377.30739s) started
T01 >> 1462339104.82316208 Pseudo density (311.04764s) started
T01 >> 1462339104.82353592 Calculate density matrix (279.50528s) started
T01 << 1462339106.36692905 Calculate density matrix (281.04868s) stopped
T01 >> 1462339106.36698103 Construct density (31.09255s) started
T01 << 1462339106.53492808 Construct density (31.26049s) stopped
T01 >> 1462339106.53606296 Symmetrize density (0.00780s) started
T01 << 1462339106.53609300 Symmetrize density (0.00783s) stopped
T01 << 1462339106.53645897 Pseudo density (312.76094s) stopped
T01 >> 1462339106.53647900 Atomic density matrices (43.78245s) started
T01 << 1462339106.77149105 Atomic density matrices (44.01747s) stopped
T01 >> 1462339106.77152610 Multipole moments (0.68312s) started
T01 << 1462339106.77563095 Multipole moments (0.68723s) stopped
T01 >> 1462339106.77565289 Normalize (0.19002s) started
T01 << 1462339106.77663898 Normalize (0.19100s) stopped
T01 >> 1462339106.77669692 Mix (21.59232s) started
T01 << 1462339106.88480091 Mix (21.70042s) stopped
T01 << 1462339106.88488102 Density (379.36912s) stopped
T01 >> 1462339106.88498902 Hamiltonian (4308.10446s) started
T01 >> 1462339106.88500690 vbar (2.12008s) started
T01 << 1462339106.89798594 vbar (2.13306s) stopped
T01 >> 1462339106.89806008 XC 3D grid (1867.35471s) started
T01 >> 1462339107.07400799 van der Waals (1801.51500s) started
T01 >> 1462339107.11555791 semilocal (412.69252s) started
T01 << 1462339109.34307909 semilocal (414.92004s) stopped
T01 >> 1462339109.37412095 redistribute (205.89537s) started
T01 << 1462339109.75034595 redistribute (206.27160s) stopped
T01 >> 1462339109.75039697 libvdwxc nonlocal (1169.27353s) started
T01 << 1462339116.04878998 libvdwxc nonlocal (1175.57192s) stopped
T01 >> 1462339116.04884696 redistribute (206.27163s) started
T01 << 1462339116.79360795 redistribute (207.01639s) stopped
T01 << 1462339116.79484701 van der Waals (1811.23584s) stopped
T01 << 1462339116.97668695 XC 3D grid (1877.43334s) stopped
T01 >> 1462339116.97672796 Poisson (404.97646s) started
T01 << 1462339119.30342793 Poisson (407.30316s) stopped
T01 >> 1462339119.30347610 Hartree integrate/restrict (14.68993s) started
T01 << 1462339119.31870794 Hartree integrate/restrict (14.70516s) stopped
T01 >> 1462339119.31882000 Hartree integrate/restrict (14.70525s) started
T01 << 1462339119.38320088 Hartree integrate/restrict (14.76963s) stopped
T01 >> 1462339119.40671206 Atomic (1154.53968s) started
T01 >> 1462339119.41617703 XC Correction (1152.22364s) started
T01 << 1462339125.72440696 XC Correction (1158.53187s) stopped
T01 << 1462339125.72736192 Atomic (1160.86033s) stopped
T01 >> 1462339125.72747707 Communicate (860.28939s) started
T01 << 1462339131.63888192 Communicate (866.20080s) stopped
T01 << 1462339131.63890791 Hamiltonian (4332.85838s) stopped
T01 >> 1462339131.63896990 LCAO eigensolver (1556.45079s) started
T01 >> 1462339131.63898396 Potential matrix (49.35269s) started
T01 << 1462339131.89274693 Potential matrix (49.60646s) stopped
T01 >> 1462339131.89281011 DistributedAtomicCorrection (260.23042s) started
T01 << 1462339133.20252609 DistributedAtomicCorrection (261.54014s) stopped
T01 >> 1462339133.20258403 Distribute overlap matrix (221.94876s) started
T01 >> 1462339133.20260406 blocked summation (210.48357s) started
T01 << 1462339134.30257893 blocked summation (211.58354s) stopped
T01 >> 1462339134.30335903 Scalapack redistribute (11.19484s) started
T01 << 1462339134.36110210 Scalapack redistribute (11.25258s) stopped
T01 << 1462339134.36117601 Distribute overlap matrix (223.10736s) stopped
T01 >> 1462339134.36174798 Blacs Orbital Layouts (530.23399s) started
T01 >> 1462339134.36227202 General diagonalize (519.86693s) started
T01 << 1462339137.03457808 General diagonalize (522.53924s) stopped
T01 >> 1462339137.03463292 Redistribute coefs (0.54619s) started
T01 << 1462339137.03716803 Redistribute coefs (0.54873s) stopped
T01 >> 1462339137.03723598 Send coefs to domains (9.54793s) started
T01 << 1462339137.07922411 Send coefs to domains (9.58992s) stopped
T01 << 1462339137.07926393 Blacs Orbital Layouts (532.95150s) stopped
T01 >> 1462339137.07930708 Calculate projections (494.52266s) started
T01 << 1462339139.55900407 Calculate projections (497.00236s) stopped
T01 << 1462339139.55907011 LCAO eigensolver (1564.37089s) stopped
T01 >> 1462339139.55974102 Density (379.36913s) started
T01 >> 1462339139.55975294 Pseudo density (312.76096s) started
T01 >> 1462339139.56012511 Calculate density matrix (281.04871s) started
T01 << 1462339141.09940195 Calculate density matrix (282.58799s) stopped
T01 >> 1462339141.09947205 Construct density (31.26053s) started
T01 << 1462339141.26711893 Construct density (31.42817s) stopped
T01 >> 1462339141.26825905 Symmetrize density (0.00784s) started
T01 << 1462339141.26829004 Symmetrize density (0.00787s) stopped
T01 << 1462339141.26868105 Pseudo density (314.46988s) stopped
T01 >> 1462339141.26870108 Atomic density matrices (44.01749s) started
T01 << 1462339141.50465894 Atomic density matrices (44.25345s) stopped
T01 >> 1462339141.50469303 Multipole moments (0.68724s) started
T01 << 1462339141.50877595 Multipole moments (0.69132s) stopped
T01 >> 1462339141.50879788 Normalize (0.19105s) started
T01 << 1462339141.50976896 Normalize (0.19202s) stopped
T01 >> 1462339141.50980806 Mix (21.70050s) started
T01 << 1462339141.62095308 Mix (21.81164s) stopped
T01 << 1462339141.62100291 Density (381.43039s) stopped
T01 >> 1462339141.62111902 Hamiltonian (4332.85839s) started
T01 >> 1462339141.62113905 vbar (2.13310s) started
T01 << 1462339141.63400006 vbar (2.14596s) stopped
T01 >> 1462339141.63405395 XC 3D grid (1877.43337s) started
T01 >> 1462339141.80497694 van der Waals (1811.23586s) started
T01 >> 1462339141.84579206 semilocal (414.92010s) started
T01 << 1462339144.06920409 semilocal (417.14351s) stopped
T01 >> 1462339144.10159802 redistribute (207.01642s) started
T01 << 1462339144.50380707 redistribute (207.41863s) stopped
T01 >> 1462339144.50386000 libvdwxc nonlocal (1175.57197s) started
T01 << 1462339150.86489511 libvdwxc nonlocal (1181.93300s) stopped
T01 >> 1462339150.86496305 redistribute (207.41867s) started
T01 << 1462339151.60430193 redistribute (208.15800s) stopped
T01 << 1462339151.60541701 van der Waals (1821.03630s) stopped
T01 << 1462339151.78803706 XC 3D grid (1887.58736s) stopped
T01 >> 1462339151.78809404 Poisson (407.30320s) started
T01 << 1462339154.10490394 Poisson (409.62001s) stopped
T01 >> 1462339154.10499001 Hartree integrate/restrict (14.76965s) started
T01 << 1462339154.12002707 Hartree integrate/restrict (14.78469s) stopped
T01 >> 1462339154.12016392 Hartree integrate/restrict (14.78479s) started
T01 << 1462339154.18289089 Hartree integrate/restrict (14.84751s) stopped
T01 >> 1462339154.20831108 Atomic (1160.86034s) started
T01 >> 1462339154.21776295 XC Correction (1158.53189s) started
T01 << 1462339160.32811189 XC Correction (1164.64223s) stopped
T01 << 1462339160.33106804 Atomic (1166.98310s) stopped
T01 >> 1462339160.33118296 Communicate (866.20081s) started
T01 << 1462339165.85096192 Communicate (871.72059s) stopped
T01 << 1462339165.85098600 Hamiltonian (4357.08826s) stopped
T01 >> 1462339165.85104704 LCAO eigensolver (1564.37090s) started
T01 >> 1462339165.85106111 Potential matrix (49.60649s) started
T01 << 1462339166.10390210 Potential matrix (49.85933s) stopped
T01 >> 1462339166.10396194 DistributedAtomicCorrection (261.54017s) started
T01 << 1462339167.41026306 DistributedAtomicCorrection (262.84647s) stopped
T01 >> 1462339167.41032100 Distribute overlap matrix (223.10737s) started
T01 >> 1462339167.41034198 blocked summation (211.58358s) started
T01 << 1462339168.51911712 blocked summation (212.69235s) stopped
T01 >> 1462339168.51990008 Scalapack redistribute (11.25261s) started
T01 << 1462339168.57717896 Scalapack redistribute (11.30989s) stopped
T01 << 1462339168.57725096 Distribute overlap matrix (224.27430s) stopped
T01 >> 1462339168.57782602 Blacs Orbital Layouts (532.95151s) started
T01 >> 1462339168.57835293 General diagonalize (522.53927s) started
T01 << 1462339171.24776196 General diagonalize (525.20868s) stopped
T01 >> 1462339171.24781394 Redistribute coefs (0.54875s) started
T01 << 1462339171.25032496 Redistribute coefs (0.55127s) stopped
T01 >> 1462339171.25039291 Send coefs to domains (9.58995s) started
T01 << 1462339171.29257107 Send coefs to domains (9.63213s) stopped
T01 << 1462339171.29262304 Blacs Orbital Layouts (535.66631s) stopped
T01 >> 1462339171.29266500 Calculate projections (497.00240s) started
T01 << 1462339173.77236605 Calculate projections (499.48211s) stopped
T01 << 1462339173.77243090 LCAO eigensolver (1572.29228s) stopped
T01 >> 1462339173.77310491 Density (381.43041s) started
T01 >> 1462339173.77311802 Pseudo density (314.46990s) started
T01 >> 1462339173.77348709 Calculate density matrix (282.58802s) started
T01 << 1462339175.31717396 Calculate density matrix (284.13171s) stopped
T01 >> 1462339175.31724906 Construct density (31.42821s) started
T01 << 1462339175.48480201 Construct density (31.59576s) stopped
T01 >> 1462339175.48594189 Symmetrize density (0.00789s) started
T01 << 1462339175.48599505 Symmetrize density (0.00794s) stopped
T01 << 1462339175.48638010 Pseudo density (316.18316s) stopped
T01 >> 1462339175.48639989 Atomic density matrices (44.25347s) started
T01 << 1462339175.72221398 Atomic density matrices (44.48928s) stopped
T01 >> 1462339175.72224689 Multipole moments (0.69134s) started
T01 << 1462339175.72629809 Multipole moments (0.69539s) stopped
T01 >> 1462339175.72632003 Normalize (0.19205s) started
T01 << 1462339175.72728705 Normalize (0.19302s) stopped
T01 >> 1462339175.72732091 Mix (21.81169s) started
T01 << 1462339175.84261203 Mix (21.92698s) stopped
T01 << 1462339175.84268689 Density (383.49999s) stopped
T01 >> 1462339175.84280610 Hamiltonian (4357.08827s) started
T01 >> 1462339175.84282708 vbar (2.14599s) started
T01 << 1462339175.85555196 vbar (2.15872s) stopped
T01 >> 1462339175.85562301 XC 3D grid (1887.58741s) started
T01 >> 1462339176.02976203 van der Waals (1821.03633s) started
T01 >> 1462339176.07104802 semilocal (417.14358s) started
T01 << 1462339178.30151701 semilocal (419.37405s) stopped
T01 >> 1462339178.33269095 redistribute (208.15804s) started
T01 << 1462339178.71943498 redistribute (208.54478s) stopped
T01 >> 1462339178.71948695 libvdwxc nonlocal (1181.93304s) started
T01 << 1462339185.07229304 libvdwxc nonlocal (1188.28585s) stopped
T01 >> 1462339185.07236099 redistribute (208.54481s) started
T01 << 1462339185.82779789 redistribute (209.30025s) stopped
T01 << 1462339185.82900095 van der Waals (1830.83557s) stopped
T01 << 1462339186.01178408 XC 3D grid (1897.74357s) stopped
T01 >> 1462339186.01182508 Poisson (409.62008s) started
T01 << 1462339188.91751409 Poisson (412.52576s) stopped
T01 >> 1462339188.91757607 Hartree integrate/restrict (14.84756s) started
T01 << 1462339188.93250394 Hartree integrate/restrict (14.86249s) stopped
T01 >> 1462339188.93260908 Hartree integrate/restrict (14.86256s) started
T01 << 1462339188.99780512 Hartree integrate/restrict (14.92776s) stopped
T01 >> 1462339189.02096105 Atomic (1166.98312s) started
T01 >> 1462339189.03028893 XC Correction (1164.64225s) started
T01 << 1462339195.17459702 XC Correction (1170.78656s) stopped
T01 << 1462339195.17753792 Atomic (1173.13970s) stopped
T01 >> 1462339195.17765689 Communicate (871.72061s) started
T01 << 1462339200.22256398 Communicate (876.76552s) stopped
T01 << 1462339200.22258902 Hamiltonian (4381.46806s) stopped
T01 >> 1462339200.22265601 LCAO eigensolver (1572.29230s) started
T01 >> 1462339200.22267008 Potential matrix (49.85937s) started
T01 << 1462339200.47626305 Potential matrix (50.11296s) stopped
T01 >> 1462339200.47632599 DistributedAtomicCorrection (262.84650s) started
T01 << 1462339201.78319311 DistributedAtomicCorrection (264.15337s) stopped
T01 >> 1462339201.78325200 Distribute overlap matrix (224.27431s) started
T01 >> 1462339201.78327298 blocked summation (212.69238s) started
T01 << 1462339202.89768791 blocked summation (213.80680s) stopped
T01 >> 1462339202.89850092 Scalapack redistribute (11.30992s) started
T01 << 1462339202.95647597 Scalapack redistribute (11.36789s) stopped
T01 << 1462339202.95654607 Distribute overlap matrix (225.44760s) stopped
T01 >> 1462339202.95712399 Blacs Orbital Layouts (535.66632s) started
T01 >> 1462339202.95770311 General diagonalize (525.20871s) started
T01 << 1462339205.64721608 General diagonalize (527.89823s) stopped
T01 >> 1462339205.64726806 Redistribute coefs (0.55130s) started
T01 << 1462339205.64955091 Redistribute coefs (0.55358s) stopped
T01 >> 1462339205.64962697 Send coefs to domains (9.63217s) started
T01 << 1462339205.69770288 Send coefs to domains (9.68024s) stopped
T01 << 1462339205.69774604 Blacs Orbital Layouts (538.40695s) stopped
T01 >> 1462339205.69779801 Calculate projections (499.48215s) started
T01 << 1462339208.17895103 Calculate projections (501.96331s) stopped
T01 << 1462339208.17902207 LCAO eigensolver (1580.24866s) stopped
T01 >> 1462339208.17966509 Density (383.50001s) started
T01 >> 1462339208.17967701 Pseudo density (316.18318s) started
T01 >> 1462339208.18000793 Calculate density matrix (284.13174s) started
T01 << 1462339209.75246692 Calculate density matrix (285.70420s) stopped
T01 >> 1462339209.75254107 Construct density (31.59579s) started
T01 << 1462339209.92049289 Construct density (31.76374s) stopped
T01 >> 1462339209.92164803 Symmetrize density (0.00795s) started
T01 << 1462339209.92167592 Symmetrize density (0.00798s) stopped
T01 << 1462339209.92206097 Pseudo density (317.92556s) stopped
T01 >> 1462339209.92208004 Atomic density matrices (44.48931s) started
T01 << 1462339210.15728211 Atomic density matrices (44.72451s) stopped
T01 >> 1462339210.15731502 Multipole moments (0.69540s) started
T01 << 1462339210.16138101 Multipole moments (0.69947s) stopped
T01 >> 1462339210.16140389 Normalize (0.19305s) started
T01 << 1462339210.16236711 Normalize (0.19401s) stopped
T01 >> 1462339210.16240311 Mix (21.92705s) started
T01 << 1462339210.28205800 Mix (22.04670s) stopped
T01 << 1462339210.28216290 Density (385.60251s) stopped
T01 >> 1462339210.28226709 Hamiltonian (4381.46807s) started
T01 >> 1462339210.28228688 vbar (2.15875s) started
T01 << 1462339210.29583001 vbar (2.17230s) stopped
T01 >> 1462339210.29591393 XC 3D grid (1897.74360s) started
T01 >> 1462339210.46878409 van der Waals (1830.83561s) started
T01 >> 1462339210.51038504 semilocal (419.37415s) started
T01 << 1462339212.73251891 semilocal (421.59628s) stopped
T01 >> 1462339212.76423502 redistribute (209.30029s) started
T01 << 1462339213.16336703 redistribute (209.69942s) stopped
T01 >> 1462339213.16341805 libvdwxc nonlocal (1188.28589s) started
T01 << 1462339219.55985188 libvdwxc nonlocal (1194.68232s) stopped
T01 >> 1462339219.55993104 redistribute (209.69945s) started
T01 << 1462339220.31429100 redistribute (210.45381s) stopped
T01 << 1462339220.31560802 van der Waals (1840.68243s) stopped
T01 << 1462339220.49440908 XC 3D grid (1907.94209s) stopped
T01 >> 1462339220.49444604 Poisson (412.52581s) started
T01 << 1462339222.82337904 Poisson (414.85474s) stopped
T01 >> 1462339222.82345295 Hartree integrate/restrict (14.92779s) started
T01 << 1462339222.83852005 Hartree integrate/restrict (14.94285s) stopped
T01 >> 1462339222.83861399 Hartree integrate/restrict (14.94292s) started
T01 << 1462339222.90263104 Hartree integrate/restrict (15.00694s) stopped
T01 >> 1462339222.92641592 Atomic (1173.13971s) started
T01 >> 1462339222.93583012 XC Correction (1170.78659s) started
T01 << 1462339229.13206506 XC Correction (1176.98282s) stopped
T01 << 1462339229.13501000 Atomic (1179.34831s) stopped
T01 >> 1462339229.13512611 Communicate (876.76553s) started
T01 << 1462339234.16171908 Communicate (881.79213s) stopped
T01 << 1462339234.16174197 Hamiltonian (4405.34754s) stopped
T01 >> 1462339234.16180301 LCAO eigensolver (1580.24867s) started
T01 >> 1462339234.16181588 Potential matrix (50.11299s) started
T01 << 1462339234.41490793 Potential matrix (50.36608s) stopped
T01 >> 1462339234.41496897 DistributedAtomicCorrection (264.15340s) started
T01 << 1462339235.73462892 DistributedAtomicCorrection (265.47306s) stopped
T01 >> 1462339235.73468804 Distribute overlap matrix (225.44761s) started
T01 >> 1462339235.73470902 blocked summation (213.80683s) started
T01 << 1462339236.81886411 blocked summation (214.89099s) stopped
T01 >> 1462339236.81965303 Scalapack redistribute (11.36792s) started
T01 << 1462339236.87832403 Scalapack redistribute (11.42659s) stopped
T01 << 1462339236.87839699 Distribute overlap matrix (226.59132s) stopped
T01 >> 1462339236.87897706 Blacs Orbital Layouts (538.40696s) started
T01 >> 1462339236.88030910 General diagonalize (527.89826s) started
T01 << 1462339239.53443003 General diagonalize (530.55238s) stopped
T01 >> 1462339239.53448105 Redistribute coefs (0.55361s) started
T01 << 1462339239.53641105 Redistribute coefs (0.55554s) stopped
T01 >> 1462339239.53648496 Send coefs to domains (9.68028s) started
T01 << 1462339239.58387399 Send coefs to domains (9.72767s) stopped
T01 << 1462339239.58413911 Blacs Orbital Layouts (541.11212s) stopped
T01 >> 1462339239.58418489 Calculate projections (501.96336s) started
T01 << 1462339242.06399012 Calculate projections (504.44316s) stopped
T01 << 1462339242.06405592 LCAO eigensolver (1588.15093s) stopped
T01 >> 1462339242.06469607 Density (385.60252s) started
T01 >> 1462339242.06470799 Pseudo density (317.92557s) started
T01 >> 1462339242.06504393 Calculate density matrix (285.70424s) started
T01 << 1462339243.66201901 Calculate density matrix (287.30121s) stopped
T01 >> 1462339243.66209006 Construct density (31.76378s) started
T01 << 1462339243.83167791 Construct density (31.93336s) stopped
T01 >> 1462339243.83280110 Symmetrize density (0.00799s) started
T01 << 1462339243.83283210 Symmetrize density (0.00802s) stopped
T01 << 1462339243.83319712 Pseudo density (319.69406s) stopped
T01 >> 1462339243.83321691 Atomic density matrices (44.72453s) started
T01 << 1462339244.06661201 Atomic density matrices (44.95793s) stopped
T01 >> 1462339244.06664896 Multipole moments (0.69949s) started
T01 << 1462339244.07071090 Multipole moments (0.70355s) stopped
T01 >> 1462339244.07073307 Normalize (0.19404s) started
T01 << 1462339244.07171297 Normalize (0.19502s) stopped
T01 >> 1462339244.07174611 Mix (22.04681s) started
T01 << 1462339244.19253898 Mix (22.16760s) stopped
T01 << 1462339244.19265294 Density (387.73048s) stopped
T01 >> 1462339244.19279099 Hamiltonian (4405.34756s) started
T01 >> 1462339244.19281292 vbar (2.17234s) started
T01 << 1462339244.20498800 vbar (2.18452s) stopped
T01 >> 1462339244.20507407 XC 3D grid (1907.94212s) started
T01 >> 1462339244.38239002 van der Waals (1840.68248s) started
T01 >> 1462339244.42347693 semilocal (421.59636s) started
T01 << 1462339246.66375303 semilocal (423.83663s) stopped
T01 >> 1462339246.69460297 redistribute (210.45384s) started
T01 << 1462339247.07486200 redistribute (210.83410s) stopped
T01 >> 1462339247.07491493 libvdwxc nonlocal (1194.68237s) started
T01 << 1462339253.44531703 libvdwxc nonlocal (1201.05277s) stopped
T01 >> 1462339253.44539404 redistribute (210.83414s) started
T01 << 1462339254.19480705 redistribute (211.58355s) stopped
T01 << 1462339254.19586611 van der Waals (1850.49596s) stopped
T01 << 1462339254.37557697 XC 3D grid (1918.11263s) stopped
T01 >> 1462339254.37563205 Poisson (414.85480s) started
T01 << 1462339256.70693207 Poisson (417.18610s) stopped
T01 >> 1462339256.70702910 Hartree integrate/restrict (15.00698s) started
T01 << 1462339256.72211695 Hartree integrate/restrict (15.02207s) stopped
T01 >> 1462339256.72218299 Hartree integrate/restrict (15.02211s) started
T01 << 1462339256.78581691 Hartree integrate/restrict (15.08574s) stopped
T01 >> 1462339256.80862689 Atomic (1179.34832s) started
T01 >> 1462339256.81813407 XC Correction (1176.98284s) started
T01 << 1462339263.01751208 XC Correction (1183.18222s) stopped
T01 << 1462339263.02048802 Atomic (1185.56018s) stopped
T01 >> 1462339263.02060103 Communicate (881.79214s) started
T01 << 1462339268.18809509 Communicate (886.95964s) stopped
T01 << 1462339268.18811989 Hamiltonian (4429.34289s) stopped
T01 >> 1462339268.18818307 LCAO eigensolver (1588.15094s) started
T01 >> 1462339268.18819594 Potential matrix (50.36612s) started
T01 << 1462339268.44120598 Potential matrix (50.61913s) stopped
T01 >> 1462339268.44126701 DistributedAtomicCorrection (265.47309s) started
T01 << 1462339269.76247811 DistributedAtomicCorrection (266.79430s) stopped
T01 >> 1462339269.76253605 Distribute overlap matrix (226.59134s) started
T01 >> 1462339269.76255703 blocked summation (214.89102s) started
T01 << 1462339270.86152792 blocked summation (215.98999s) stopped
T01 >> 1462339270.86231995 Scalapack redistribute (11.42662s) started
T01 << 1462339270.92178202 Scalapack redistribute (11.48608s) stopped
T01 << 1462339270.92185593 Distribute overlap matrix (227.75066s) stopped
T01 >> 1462339270.92243695 Blacs Orbital Layouts (541.11214s) started
T01 >> 1462339270.92460108 General diagonalize (530.55241s) started
T01 << 1462339273.59376693 General diagonalize (533.22158s) stopped
T01 >> 1462339273.59381700 Redistribute coefs (0.55557s) started
T01 << 1462339273.59650612 Redistribute coefs (0.55826s) stopped
T01 >> 1462339273.59654403 Send coefs to domains (9.72770s) started
T01 << 1462339273.64362788 Send coefs to domains (9.77479s) stopped
T01 << 1462339273.64410710 Blacs Orbital Layouts (543.83381s) stopped
T01 >> 1462339273.64415193 Calculate projections (504.44321s) started
T01 << 1462339276.12979889 Calculate projections (506.92886s) stopped
T01 << 1462339276.12986803 LCAO eigensolver (1596.09262s) stopped
T01 >> 1462339276.13066292 Density (387.73050s) started
T01 >> 1462339276.13067603 Pseudo density (319.69408s) started
T01 >> 1462339276.13103294 Calculate density matrix (287.30125s) started
T01 << 1462339277.70682907 Calculate density matrix (288.87704s) stopped
T01 >> 1462339277.70690203 Construct density (31.93340s) started
T01 << 1462339277.87440801 Construct density (32.10090s) stopped
T01 >> 1462339277.87554193 Symmetrize density (0.00803s) started
T01 << 1462339277.87557292 Symmetrize density (0.00806s) stopped
T01 << 1462339277.87593889 Pseudo density (321.43934s) stopped
T01 >> 1462339277.87595892 Atomic density matrices (44.95795s) started
T01 << 1462339278.11187601 Atomic density matrices (45.19387s) stopped
T01 >> 1462339278.11190891 Multipole moments (0.70356s) started
T01 << 1462339278.11597991 Multipole moments (0.70764s) stopped
T01 >> 1462339278.11600208 Normalize (0.19504s) started
T01 << 1462339278.11697006 Normalize (0.19601s) stopped
T01 >> 1462339278.11700201 Mix (22.16771s) started
T01 << 1462339278.23640299 Mix (22.28711s) stopped
T01 << 1462339278.23648691 Density (389.83632s) stopped
T01 >> 1462339278.23660111 Hamiltonian (4429.34290s) started
T01 >> 1462339278.23662496 vbar (2.18457s) started
T01 << 1462339278.24925590 vbar (2.19720s) stopped
T01 >> 1462339278.24934411 XC 3D grid (1918.11267s) started
T01 >> 1462339278.41872096 van der Waals (1850.49598s) started
T01 >> 1462339278.46010900 semilocal (423.83671s) started
T01 << 1462339280.66450000 semilocal (426.04110s) stopped
T01 >> 1462339280.69688606 redistribute (211.58358s) started
T01 << 1462339281.10235190 redistribute (211.98905s) stopped
T01 >> 1462339281.10240507 libvdwxc nonlocal (1201.05282s) started
T01 << 1462339287.44992089 libvdwxc nonlocal (1207.40033s) stopped
T01 >> 1462339287.44999099 redistribute (211.98908s) started
T01 << 1462339288.20156193 redistribute (212.74065s) stopped
T01 << 1462339288.20285702 van der Waals (1860.28012s) stopped
T01 << 1462339288.38214207 XC 3D grid (1928.24547s) stopped
T01 >> 1462339288.38219094 Poisson (417.18618s) started
T01 << 1462339290.71699309 Poisson (419.52098s) stopped
T01 >> 1462339290.71706390 Hartree integrate/restrict (15.08579s) started
T01 << 1462339290.73196912 Hartree integrate/restrict (15.10069s) stopped
T01 >> 1462339290.73209906 Hartree integrate/restrict (15.10078s) started
T01 << 1462339290.79592490 Hartree integrate/restrict (15.16461s) stopped
T01 >> 1462339290.81912303 Atomic (1185.56020s) started
T01 >> 1462339290.82866406 XC Correction (1183.18224s) started
T01 << 1462339297.03701997 XC Correction (1189.39060s) stopped
T01 << 1462339297.04001999 Atomic (1191.78110s) stopped
T01 >> 1462339297.04013395 Communicate (886.95965s) started
T01 << 1462339302.19893503 Communicate (892.11845s) stopped
T01 << 1462339302.19895792 Hamiltonian (4453.30526s) stopped
T01 >> 1462339302.19901800 LCAO eigensolver (1596.09264s) started
T01 >> 1462339302.19903111 Potential matrix (50.61916s) started
T01 << 1462339302.45437789 Potential matrix (50.87451s) stopped
T01 >> 1462339302.45443892 DistributedAtomicCorrection (266.79433s) started
T01 << 1462339303.77441001 DistributedAtomicCorrection (268.11430s) stopped
T01 >> 1462339303.77446795 Distribute overlap matrix (227.75067s) started
T01 >> 1462339303.77448893 blocked summation (215.99002s) started
T01 << 1462339304.85982394 blocked summation (217.07536s) stopped
T01 >> 1462339304.86060190 Scalapack redistribute (11.48611s) started
T01 << 1462339304.91952300 Scalapack redistribute (11.54504s) stopped
T01 << 1462339304.91959596 Distribute overlap matrix (228.89579s) stopped
T01 >> 1462339304.92017198 Blacs Orbital Layouts (543.83383s) started
T01 >> 1462339304.92155504 General diagonalize (533.22161s) started
T01 << 1462339307.59515500 General diagonalize (535.89521s) stopped
T01 >> 1462339307.59520602 Redistribute coefs (0.55829s) started
T01 << 1462339307.59733605 Redistribute coefs (0.56042s) stopped
T01 >> 1462339307.59741092 Send coefs to domains (9.77483s) started
T01 << 1462339307.64401388 Send coefs to domains (9.82143s) stopped
T01 << 1462339307.64428496 Blacs Orbital Layouts (546.55794s) stopped
T01 >> 1462339307.64433599 Calculate projections (506.92890s) started
T01 << 1462339310.12977290 Calculate projections (509.41434s) stopped
T01 << 1462339310.12984109 LCAO eigensolver (1604.02346s) stopped
T01 >> 1462339310.13053489 Density (389.83634s) started
T01 >> 1462339310.13054705 Pseudo density (321.43935s) started
T01 >> 1462339310.13088703 Calculate density matrix (288.87708s) started
T01 << 1462339311.69937301 Calculate density matrix (290.44557s) stopped
T01 >> 1462339311.69944906 Construct density (32.10094s) started
T01 << 1462339311.86734796 Construct density (32.26884s) stopped
T01 >> 1462339311.86848903 Symmetrize density (0.00807s) started
T01 << 1462339311.86851811 Symmetrize density (0.00810s) stopped
T01 << 1462339311.86890888 Pseudo density (323.17772s) stopped
T01 >> 1462339311.86892891 Atomic density matrices (45.19389s) started
T01 << 1462339312.10399199 Atomic density matrices (45.42896s) stopped
T01 >> 1462339312.10402608 Multipole moments (0.70765s) started
T01 << 1462339312.10816312 Multipole moments (0.71179s) stopped
T01 >> 1462339312.10818505 Normalize (0.19603s) started
T01 << 1462339312.10915208 Normalize (0.19700s) stopped
T01 >> 1462339312.10918903 Mix (22.28719s) started
T01 << 1462339312.22853088 Mix (22.40653s) stopped
T01 << 1462339312.22860193 Density (391.93440s) stopped
T01 >> 1462339312.22870493 Hamiltonian (4453.30527s) started
T01 >> 1462339312.22872305 vbar (2.19726s) started
T01 << 1462339312.24174500 vbar (2.21028s) stopped
T01 >> 1462339312.24182701 XC 3D grid (1928.24551s) started
T01 >> 1462339312.42035007 van der Waals (1860.28015s) started
T01 >> 1462339312.46156597 semilocal (426.04121s) started
T01 << 1462339314.69930410 semilocal (428.27895s) stopped
T01 >> 1462339314.72982788 redistribute (212.74069s) started
T01 << 1462339315.10368395 redistribute (213.11454s) stopped
T01 >> 1462339315.10373497 libvdwxc nonlocal (1207.40037s) started
T01 << 1462339321.45331097 libvdwxc nonlocal (1213.74995s) stopped
T01 >> 1462339321.45337892 redistribute (213.11457s) started
T01 << 1462339322.20695996 redistribute (213.86815s) stopped
T01 << 1462339322.20818591 van der Waals (1870.06798s) stopped
T01 << 1462339322.38658404 XC 3D grid (1938.39027s) stopped
T01 >> 1462339322.38662791 Poisson (419.52104s) started
T01 << 1462339324.71964407 Poisson (421.85405s) stopped
T01 >> 1462339324.71970105 Hartree integrate/restrict (15.16464s) started
T01 << 1462339324.73465705 Hartree integrate/restrict (15.17960s) stopped
T01 >> 1462339324.73470902 Hartree integrate/restrict (15.17963s) started
T01 << 1462339324.80036592 Hartree integrate/restrict (15.24529s) stopped
T01 >> 1462339324.82137203 Atomic (1191.78111s) started
T01 >> 1462339324.83090591 XC Correction (1189.39062s) started
T01 << 1462339331.10070491 XC Correction (1195.66042s) stopped
T01 << 1462339331.10368204 Atomic (1198.06342s) stopped
T01 >> 1462339331.10379696 Communicate (892.11847s) started
T01 << 1462339336.13822794 Communicate (897.15290s) stopped
T01 << 1462339336.13825202 Hamiltonian (4477.21482s) stopped
T01 >> 1462339336.13831210 LCAO eigensolver (1604.02347s) started
T01 >> 1462339336.13832593 Potential matrix (50.87454s) started
T01 << 1462339336.39142299 Potential matrix (51.12764s) stopped
T01 >> 1462339336.39148498 DistributedAtomicCorrection (268.11433s) started
T01 << 1462339337.71137094 DistributedAtomicCorrection (269.43422s) stopped
T01 >> 1462339337.71143007 Distribute overlap matrix (228.89581s) started
T01 >> 1462339337.71145105 blocked summation (217.07539s) started
T01 << 1462339338.81804705 blocked summation (218.18199s) stopped
T01 >> 1462339338.81884193 Scalapack redistribute (11.54506s) started
T01 << 1462339338.87679505 Scalapack redistribute (11.60302s) stopped
T01 << 1462339338.87686896 Distribute overlap matrix (230.06125s) stopped
T01 >> 1462339338.87743092 Blacs Orbital Layouts (546.55796s) started
T01 >> 1462339338.87800789 General diagonalize (535.89524s) started
T01 << 1462339341.54435492 General diagonalize (538.56158s) stopped
T01 >> 1462339341.54440689 Redistribute coefs (0.56045s) started
T01 << 1462339341.54754305 Redistribute coefs (0.56359s) stopped
T01 >> 1462339341.54758096 Send coefs to domains (9.82146s) started
T01 << 1462339341.59394908 Send coefs to domains (9.86783s) stopped
T01 << 1462339341.59399700 Blacs Orbital Layouts (549.27452s) stopped
T01 >> 1462339341.59404707 Calculate projections (509.41439s) started
T01 << 1462339344.07895899 Calculate projections (511.89930s) stopped
T01 << 1462339344.07902598 LCAO eigensolver (1611.96418s) stopped
T01 >> 1462339344.07980800 Density (391.93442s) started
T01 >> 1462339344.07982111 Pseudo density (323.17773s) started
T01 >> 1462339344.08017898 Calculate density matrix (290.44560s) started
T01 << 1462339345.65402293 Calculate density matrix (292.01944s) stopped
T01 >> 1462339345.65409803 Construct density (32.26887s) started
T01 << 1462339345.82154608 Construct density (32.43632s) stopped
T01 >> 1462339345.82269311 Symmetrize density (0.00811s) started
T01 << 1462339345.82272291 Symmetrize density (0.00814s) stopped
T01 << 1462339345.82308698 Pseudo density (324.92100s) stopped
T01 >> 1462339345.82310700 Atomic density matrices (45.42898s) started
T01 << 1462339346.05895305 Atomic density matrices (45.66483s) stopped
T01 >> 1462339346.05898595 Multipole moments (0.71180s) started
T01 << 1462339346.06321001 Multipole moments (0.71603s) stopped
T01 >> 1462339346.06323195 Normalize (0.19703s) started
T01 << 1462339346.06420493 Normalize (0.19800s) stopped
T01 >> 1462339346.06424499 Mix (22.40659s) started
T01 << 1462339346.18396091 Mix (22.52631s) stopped
T01 << 1462339346.18405104 Density (394.03866s) stopped
T01 >> 1462339346.18414998 Hamiltonian (4477.21483s) started
T01 >> 1462339346.18416905 vbar (2.21033s) started
T01 << 1462339346.19666791 vbar (2.22282s) stopped
T01 >> 1462339346.19674802 XC 3D grid (1938.39030s) started
T01 >> 1462339346.37371206 van der Waals (1870.06802s) started
T01 >> 1462339346.41481400 semilocal (428.27899s) started
T01 << 1462339348.65142202 semilocal (430.51559s) stopped
T01 >> 1462339348.68245792 redistribute (213.86819s) started
T01 << 1462339349.06438708 redistribute (214.25012s) stopped
T01 >> 1462339349.06444001 libvdwxc nonlocal (1213.74999s) started
T01 << 1462339355.43353009 libvdwxc nonlocal (1220.11908s) stopped
T01 >> 1462339355.43361402 redistribute (214.25015s) started
T01 << 1462339356.18619800 redistribute (215.00273s) stopped
T01 << 1462339356.18747902 van der Waals (1879.88178s) stopped
T01 << 1462339356.36941409 XC 3D grid (1948.56297s) stopped
T01 >> 1462339356.36947107 Poisson (421.85410s) started
T01 << 1462339358.12562203 Poisson (423.61025s) stopped
T01 >> 1462339358.12571502 Hartree integrate/restrict (15.24532s) started
T01 << 1462339358.14056396 Hartree integrate/restrict (15.26017s) stopped
T01 >> 1462339358.14069700 Hartree integrate/restrict (15.26026s) started
T01 << 1462339358.20527601 Hartree integrate/restrict (15.32484s) stopped
T01 >> 1462339358.22801995 Atomic (1198.06344s) started
T01 >> 1462339358.23756909 XC Correction (1195.66044s) started
T01 << 1462339364.43920994 XC Correction (1201.86208s) stopped
T01 << 1462339364.44218802 Atomic (1204.27761s) stopped
T01 >> 1462339364.44230103 Communicate (897.15292s) started
T01 << 1462339369.79838490 Communicate (902.50900s) stopped
T01 << 1462339369.79841089 Hamiltonian (4500.82909s) stopped
T01 >> 1462339369.79848003 LCAO eigensolver (1611.96420s) started
T01 >> 1462339369.79849410 Potential matrix (51.12767s) started
T01 << 1462339370.05135393 Potential matrix (51.38053s) stopped
T01 >> 1462339370.05141592 DistributedAtomicCorrection (269.43425s) started
T01 << 1462339371.36969090 DistributedAtomicCorrection (270.75252s) stopped
T01 >> 1462339371.36975002 Distribute overlap matrix (230.06126s) started
T01 >> 1462339371.36977005 blocked summation (218.18202s) started
T01 << 1462339372.46932793 blocked summation (219.28158s) stopped
T01 >> 1462339372.47011590 Scalapack redistribute (11.60305s) started
T01 << 1462339372.52760506 Scalapack redistribute (11.66054s) stopped
T01 << 1462339372.52768302 Distribute overlap matrix (231.21919s) stopped
T01 >> 1462339372.52826595 Blacs Orbital Layouts (549.27454s) started
T01 >> 1462339372.52884293 General diagonalize (538.56162s) started
T01 << 1462339375.20986700 General diagonalize (541.24264s) stopped
T01 >> 1462339375.20991802 Redistribute coefs (0.56361s) started
T01 << 1462339375.21298504 Redistribute coefs (0.56668s) stopped
T01 >> 1462339375.21302199 Send coefs to domains (9.86787s) started
T01 << 1462339375.25939608 Send coefs to domains (9.91424s) stopped
T01 << 1462339375.25943995 Blacs Orbital Layouts (552.00571s) stopped
T01 >> 1462339375.25948310 Calculate projections (511.89935s) started
T01 << 1462339377.74074888 Calculate projections (514.38062s) stopped
T01 << 1462339377.74081898 LCAO eigensolver (1619.90654s) stopped
T01 >> 1462339377.74147391 Density (394.03867s) started
T01 >> 1462339377.74148607 Pseudo density (324.92101s) started
T01 >> 1462339377.74181700 Calculate density matrix (292.01948s) started
T01 << 1462339379.33552694 Calculate density matrix (293.61319s) stopped
T01 >> 1462339379.33560300 Construct density (32.43635s) started
T01 << 1462339379.50307798 Construct density (32.60383s) stopped
T01 >> 1462339379.50423193 Symmetrize density (0.00815s) started
T01 << 1462339379.50426292 Symmetrize density (0.00819s) stopped
T01 << 1462339379.50463009 Pseudo density (326.68415s) stopped
T01 >> 1462339379.50465012 Atomic density matrices (45.66485s) started
T01 << 1462339379.74582410 Atomic density matrices (45.90602s) stopped
T01 >> 1462339379.74585605 Multipole moments (0.71604s) started
T01 << 1462339379.75006390 Multipole moments (0.72025s) stopped
T01 >> 1462339379.75008607 Normalize (0.19803s) started
T01 << 1462339379.75108004 Normalize (0.19902s) stopped
T01 >> 1462339379.75111890 Mix (22.52640s) started
T01 << 1462339379.87040401 Mix (22.64568s) stopped
T01 << 1462339379.87050104 Density (396.16770s) stopped
T01 >> 1462339379.87061691 Hamiltonian (4500.82910s) started
T01 >> 1462339379.87064099 vbar (2.22287s) started
T01 << 1462339379.88321495 vbar (2.23545s) stopped
T01 >> 1462339379.88329411 XC 3D grid (1948.56301s) started
T01 >> 1462339380.06010890 van der Waals (1879.88182s) started
T01 >> 1462339380.10212708 semilocal (430.51568s) started
T01 << 1462339382.33135796 semilocal (432.74491s) stopped
T01 >> 1462339382.36245298 redistribute (215.00277s) started
T01 << 1462339382.74715209 redistribute (215.38747s) stopped
T01 >> 1462339382.74724507 libvdwxc nonlocal (1220.11913s) started
T01 << 1462339389.10558391 libvdwxc nonlocal (1226.47747s) stopped
T01 >> 1462339389.10565305 redistribute (215.38752s) started
T01 << 1462339389.86003089 redistribute (216.14190s) stopped
T01 << 1462339389.86142802 van der Waals (1889.68314s) stopped
T01 << 1462339390.04296708 XC 3D grid (1958.72268s) stopped
T01 >> 1462339390.04300904 Poisson (423.61032s) started
T01 << 1462339391.80020690 Poisson (425.36751s) stopped
T01 >> 1462339391.80025792 Hartree integrate/restrict (15.32487s) started
T01 << 1462339391.81514597 Hartree integrate/restrict (15.33976s) stopped
T01 >> 1462339391.81524801 Hartree integrate/restrict (15.33983s) started
T01 << 1462339391.88054299 Hartree integrate/restrict (15.40512s) stopped
T01 >> 1462339391.90204597 Atomic (1204.27762s) started
T01 >> 1462339391.91158891 XC Correction (1201.86210s) started
T01 << 1462339398.09415293 XC Correction (1208.04466s) stopped
T01 << 1462339398.09714198 Atomic (1210.47272s) stopped
T01 >> 1462339398.09725904 Communicate (902.50902s) started
T01 << 1462339403.34246993 Communicate (907.75423s) stopped
T01 << 1462339403.34250402 Hamiltonian (4524.30099s) stopped
T01 >> 1462339403.34261107 LCAO eigensolver (1619.90655s) started
T01 >> 1462339403.34262896 Potential matrix (51.38057s) started
T01 << 1462339403.59700489 Potential matrix (51.63495s) stopped
T01 >> 1462339403.59706807 DistributedAtomicCorrection (270.75255s) started
T01 << 1462339404.92075706 DistributedAtomicCorrection (272.07624s) stopped
T01 >> 1462339404.92081499 Distribute overlap matrix (231.21920s) started
T01 >> 1462339404.92083597 blocked summation (219.28161s) started
T01 << 1462339406.03239703 blocked summation (220.39317s) stopped
T01 >> 1462339406.03402400 Scalapack redistribute (11.66057s) started
T01 << 1462339406.09268188 Scalapack redistribute (11.71923s) stopped
T01 << 1462339406.09275103 Distribute overlap matrix (232.39114s) stopped
T01 >> 1462339406.09333205 Blacs Orbital Layouts (552.00572s) started
T01 >> 1462339406.09547091 General diagonalize (541.24267s) started
T01 << 1462339408.77797008 General diagonalize (543.92517s) stopped
T01 >> 1462339408.77802110 Redistribute coefs (0.56671s) started
T01 << 1462339408.78044701 Redistribute coefs (0.56914s) stopped
T01 >> 1462339408.78051496 Send coefs to domains (9.91427s) started
T01 << 1462339408.83265209 Send coefs to domains (9.96641s) stopped
T01 << 1462339408.83309889 Blacs Orbital Layouts (554.74549s) stopped
T01 >> 1462339408.83314705 Calculate projections (514.38067s) started
T01 << 1462339411.31261992 Calculate projections (516.86014s) stopped
T01 << 1462339411.31287694 LCAO eigensolver (1627.87681s) stopped
T01 >> 1462339411.31354189 Density (396.16772s) started
T01 >> 1462339411.31355405 Pseudo density (326.68417s) started
T01 >> 1462339411.31390190 Calculate density matrix (293.61322s) started
T01 << 1462339412.89606404 Calculate density matrix (295.19538s) stopped
T01 >> 1462339412.89613509 Construct density (32.60386s) started
T01 << 1462339413.06397510 Construct density (32.77170s) stopped
T01 >> 1462339413.06511688 Symmetrize density (0.00820s) started
T01 << 1462339413.06514597 Symmetrize density (0.00823s) stopped
T01 << 1462339413.06551194 Pseudo density (328.43613s) stopped
T01 >> 1462339413.06553197 Atomic density matrices (45.90604s) started
T01 << 1462339413.30130696 Atomic density matrices (46.14182s) stopped
T01 >> 1462339413.30134010 Multipole moments (0.72026s) started
T01 << 1462339413.30554390 Multipole moments (0.72447s) stopped
T01 >> 1462339413.30556703 Normalize (0.19905s) started
T01 << 1462339413.30654812 Normalize (0.20003s) stopped
T01 >> 1462339413.30658197 Mix (22.64577s) started
T01 << 1462339413.42679095 Mix (22.76598s) stopped
T01 << 1462339413.42688107 Density (398.28106s) stopped
T01 >> 1462339413.42699003 Hamiltonian (4524.30100s) started
T01 >> 1462339413.42701006 vbar (2.23549s) started
T01 << 1462339413.43988895 vbar (2.24837s) stopped
T01 >> 1462339413.43997502 XC 3D grid (1958.72272s) started
T01 >> 1462339413.60928607 van der Waals (1889.68317s) started
T01 >> 1462339413.65127110 semilocal (432.74497s) started
T01 << 1462339415.85753608 semilocal (434.95124s) stopped
T01 >> 1462339415.88950706 redistribute (216.14194s) started
T01 << 1462339416.28844500 redistribute (216.54088s) stopped
T01 >> 1462339416.28849912 libvdwxc nonlocal (1226.47751s) started
T01 << 1462339422.65172195 libvdwxc nonlocal (1232.84073s) stopped
T01 >> 1462339422.65177989 redistribute (216.54091s) started
T01 << 1462339423.40452409 redistribute (217.29365s) stopped
T01 << 1462339423.40563512 van der Waals (1899.47952s) stopped
T01 << 1462339423.58589101 XC 3D grid (1968.86863s) stopped
T01 >> 1462339423.58592796 Poisson (425.36755s) started
T01 << 1462339425.34627199 Poisson (427.12790s) stopped
T01 >> 1462339425.34635210 Hartree integrate/restrict (15.40515s) started
T01 << 1462339425.36146498 Hartree integrate/restrict (15.42026s) stopped
T01 >> 1462339425.36156797 Hartree integrate/restrict (15.42033s) started
T01 << 1462339425.42703390 Hartree integrate/restrict (15.48580s) stopped
T01 >> 1462339425.44940901 Atomic (1210.47274s) started
T01 >> 1462339425.45896602 XC Correction (1208.04468s) started
T01 << 1462339431.62578797 XC Correction (1214.21151s) stopped
T01 << 1462339431.62879395 Atomic (1216.65212s) stopped
T01 >> 1462339431.62891197 Communicate (907.75425s) started
T01 << 1462339436.91312003 Communicate (913.03846s) stopped
T01 << 1462339436.91315389 Hamiltonian (4547.78717s) stopped
T01 >> 1462339436.91326094 LCAO eigensolver (1627.87683s) started
T01 >> 1462339436.91327500 Potential matrix (51.63498s) started
T01 << 1462339437.16843510 Potential matrix (51.89014s) stopped
T01 >> 1462339437.16850495 DistributedAtomicCorrection (272.07627s) started
T01 << 1462339438.48960304 DistributedAtomicCorrection (273.39737s) stopped
T01 >> 1462339438.48966599 Distribute overlap matrix (232.39115s) started
T01 >> 1462339438.48968792 blocked summation (220.39320s) started
T01 << 1462339439.59619093 blocked summation (221.49970s) stopped
T01 >> 1462339439.59697390 Scalapack redistribute (11.71926s) started
T01 << 1462339439.65672994 Scalapack redistribute (11.77901s) stopped
T01 << 1462339439.65680099 Distribute overlap matrix (233.55828s) stopped
T01 >> 1462339439.65737009 Blacs Orbital Layouts (554.74551s) started
T01 >> 1462339439.65869308 General diagonalize (543.92520s) started
T01 << 1462339442.31812000 General diagonalize (546.58463s) stopped
T01 >> 1462339442.31817007 Redistribute coefs (0.56917s) started
T01 << 1462339442.32131290 Redistribute coefs (0.57231s) stopped
T01 >> 1462339442.32135010 Send coefs to domains (9.96645s) started
T01 << 1462339442.36878800 Send coefs to domains (10.01388s) stopped
T01 << 1462339442.36905193 Blacs Orbital Layouts (557.45719s) stopped
T01 >> 1462339442.36910105 Calculate projections (516.86019s) started
T01 << 1462339444.84850693 Calculate projections (519.33959s) stopped
T01 << 1462339444.84857512 LCAO eigensolver (1635.81215s) stopped
T01 >> 1462339444.84923792 Density (398.28107s) started
T01 >> 1462339444.84925103 Pseudo density (328.43614s) started
T01 >> 1462339444.84958601 Calculate density matrix (295.19542s) started
T01 << 1462339446.42830110 Calculate density matrix (296.77413s) stopped
T01 >> 1462339446.42837191 Construct density (32.77174s) started
T01 << 1462339446.59591389 Construct density (32.93928s) stopped
T01 >> 1462339446.59705901 Symmetrize density (0.00824s) started
T01 << 1462339446.59708810 Symmetrize density (0.00827s) stopped
T01 << 1462339446.59747410 Pseudo density (330.18437s) stopped
T01 >> 1462339446.59749389 Atomic density matrices (46.14184s) started
T01 << 1462339446.83289504 Atomic density matrices (46.37724s) stopped
T01 >> 1462339446.83292794 Multipole moments (0.72448s) started
T01 << 1462339446.83714890 Multipole moments (0.72870s) stopped
T01 >> 1462339446.83717108 Normalize (0.20006s) started
T01 << 1462339446.83814096 Normalize (0.20103s) stopped
T01 >> 1462339446.83817697 Mix (22.76607s) started
T01 << 1462339446.95907497 Mix (22.88697s) stopped
T01 << 1462339446.95918012 Density (400.39102s) stopped
T01 >> 1462339446.95929408 Hamiltonian (4547.78718s) started
T01 >> 1462339446.95931506 vbar (2.24842s) started
T01 << 1462339446.97066092 vbar (2.25977s) stopped
T01 >> 1462339446.97073007 XC 3D grid (1968.86866s) started
T01 >> 1462339447.14548302 van der Waals (1899.47954s) started
T01 >> 1462339447.18640089 semilocal (434.95129s) started
T01 << 1462339449.41279006 semilocal (437.17768s) stopped
T01 >> 1462339449.44391203 redistribute (217.29369s) started
T01 << 1462339449.85572100 redistribute (217.70549s) stopped
T01 >> 1462339449.85577393 libvdwxc nonlocal (1232.84077s) started
T01 << 1462339456.22709990 libvdwxc nonlocal (1239.21209s) stopped
T01 >> 1462339456.22717905 redistribute (217.70553s) started
T01 << 1462339456.98025894 redistribute (218.45861s) stopped
T01 << 1462339456.98138690 van der Waals (1909.31544s) stopped
T01 << 1462339457.16175508 XC 3D grid (1979.05969s) stopped
T01 >> 1462339457.16180301 Poisson (427.12796s) started
T01 << 1462339458.91537404 Poisson (428.88153s) stopped
T01 >> 1462339458.91547203 Hartree integrate/restrict (15.48583s) started
T01 << 1462339458.93030500 Hartree integrate/restrict (15.50066s) stopped
T01 >> 1462339458.93044591 Hartree integrate/restrict (15.50077s) started
T01 << 1462339459.00022411 Hartree integrate/restrict (15.57054s) stopped
T01 >> 1462339459.01733899 Atomic (1216.65214s) started
T01 >> 1462339459.02686000 XC Correction (1214.21154s) started
T01 << 1462339465.22540092 XC Correction (1220.41008s) stopped
T01 << 1462339465.22838593 Atomic (1222.86319s) stopped
T01 >> 1462339465.22850490 Communicate (913.03848s) started
T01 << 1462339470.50765705 Communicate (918.31764s) stopped
T01 << 1462339470.50768304 Hamiltonian (4571.33557s) stopped
T01 >> 1462339470.50774598 LCAO eigensolver (1635.81216s) started
T01 >> 1462339470.50775909 Potential matrix (51.89018s) started
T01 << 1462339470.76098204 Potential matrix (52.14340s) stopped
T01 >> 1462339470.76104593 DistributedAtomicCorrection (273.39741s) started
T01 << 1462339472.08322906 DistributedAtomicCorrection (274.71959s) stopped
T01 >> 1462339472.08328700 Distribute overlap matrix (233.55830s) started
T01 >> 1462339472.08330798 blocked summation (221.49974s) started
T01 << 1462339473.19762611 blocked summation (222.61405s) stopped
T01 >> 1462339473.19974089 Scalapack redistribute (11.77905s) started
T01 << 1462339473.25602198 Scalapack redistribute (11.83533s) stopped
T01 << 1462339473.25609708 Distribute overlap matrix (234.73111s) stopped
T01 >> 1462339473.25668907 Blacs Orbital Layouts (557.45721s) started
T01 >> 1462339473.25804210 General diagonalize (546.58466s) started
T01 << 1462339475.93998694 General diagonalize (549.26661s) stopped
T01 >> 1462339475.94003892 Redistribute coefs (0.57234s) started
T01 << 1462339475.94247794 Redistribute coefs (0.57478s) stopped
T01 >> 1462339475.94251895 Send coefs to domains (10.01392s) started
T01 << 1462339475.98871207 Send coefs to domains (10.06011s) stopped
T01 << 1462339475.98899007 Blacs Orbital Layouts (560.18951s) stopped
T01 >> 1462339475.98904395 Calculate projections (519.33964s) started
T01 << 1462339478.47033191 Calculate projections (521.82093s) stopped
T01 << 1462339478.47075009 LCAO eigensolver (1643.77516s) stopped
T01 >> 1462339478.47141004 Density (400.39103s) started
T01 >> 1462339478.47142196 Pseudo density (330.18438s) started
T01 >> 1462339478.47176909 Calculate density matrix (296.77417s) started
T01 << 1462339480.04746890 Calculate density matrix (298.34987s) stopped
T01 >> 1462339480.04754496 Construct density (32.93931s) started
T01 << 1462339480.21513104 Construct density (33.10690s) stopped
T01 >> 1462339480.21626091 Symmetrize density (0.00828s) started
T01 << 1462339480.21628904 Symmetrize density (0.00831s) stopped
T01 << 1462339480.21666408 Pseudo density (331.92962s) stopped
T01 >> 1462339480.21668291 Atomic density matrices (46.37727s) started
T01 << 1462339480.45237494 Atomic density matrices (46.61296s) stopped
T01 >> 1462339480.45240903 Multipole moments (0.72872s) started
T01 << 1462339480.45662808 Multipole moments (0.73294s) stopped
T01 >> 1462339480.45665097 Normalize (0.20106s) started
T01 << 1462339480.45760894 Normalize (0.20201s) stopped
T01 >> 1462339480.45764899 Mix (22.88707s) started
T01 << 1462339480.57686996 Mix (23.00629s) stopped
T01 << 1462339480.57691789 Density (402.49654s) stopped
T01 >> 1462339480.57701492 Hamiltonian (4571.33558s) started
T01 >> 1462339480.57703304 vbar (2.25981s) started
T01 << 1462339480.58960009 vbar (2.27237s) stopped
T01 >> 1462339480.58968210 XC 3D grid (1979.05972s) started
T01 >> 1462339480.76180506 van der Waals (1909.31547s) started
T01 >> 1462339480.80314708 semilocal (437.17776s) started
T01 << 1462339483.02828312 semilocal (439.40290s) stopped
T01 >> 1462339483.06014991 redistribute (218.45864s) started
T01 << 1462339483.44869494 redistribute (218.84718s) stopped
T01 >> 1462339483.44874811 libvdwxc nonlocal (1239.21214s) started
T01 << 1462339489.84664989 libvdwxc nonlocal (1245.61004s) stopped
T01 >> 1462339489.84673405 redistribute (218.84722s) started
T01 << 1462339490.60073209 redistribute (219.60121s) stopped
T01 << 1462339490.60214996 van der Waals (1919.15581s) stopped
T01 << 1462339490.78008795 XC 3D grid (1989.25013s) stopped
T01 >> 1462339490.78015304 Poisson (428.88161s) started
T01 << 1462339491.96576095 Poisson (430.06722s) stopped
T01 >> 1462339491.96583700 Hartree integrate/restrict (15.57058s) started
T01 << 1462339491.98090696 Hartree integrate/restrict (15.58565s) stopped
T01 >> 1462339491.98100996 Hartree integrate/restrict (15.58573s) started
T01 << 1462339492.04548311 Hartree integrate/restrict (15.65020s) stopped
T01 >> 1462339492.06894207 Atomic (1222.86320s) started
T01 >> 1462339492.07848597 XC Correction (1220.41010s) started
T01 << 1462339498.28003192 XC Correction (1226.61165s) stopped
T01 << 1462339498.28299689 Atomic (1229.07726s) stopped
T01 >> 1462339498.28311610 Communicate (918.31765s) started
T01 << 1462339503.51474190 Communicate (923.54928s) stopped
T01 << 1462339503.51476502 Hamiltonian (4594.27333s) stopped
T01 >> 1462339503.51482606 LCAO eigensolver (1643.77518s) started
T01 >> 1462339503.51483893 Potential matrix (52.14343s) started
T01 << 1462339503.77028108 Potential matrix (52.39888s) stopped
T01 >> 1462339503.77033997 DistributedAtomicCorrection (274.71962s) started
T01 << 1462339505.10255694 DistributedAtomicCorrection (276.05184s) stopped
T01 >> 1462339505.10261512 Distribute overlap matrix (234.73112s) started
T01 >> 1462339505.10263991 blocked summation (222.61409s) started
T01 << 1462339506.17854595 blocked summation (223.68999s) stopped
T01 >> 1462339506.18022895 Scalapack redistribute (11.83536s) started
T01 << 1462339506.24019790 Scalapack redistribute (11.89533s) stopped
T01 << 1462339506.24026895 Distribute overlap matrix (235.86877s) stopped
T01 >> 1462339506.24087191 Blacs Orbital Layouts (560.18952s) started
T01 >> 1462339506.24303389 General diagonalize (549.26664s) started
T01 << 1462339508.92075610 General diagonalize (551.94436s) stopped
T01 >> 1462339508.92080593 Redistribute coefs (0.57481s) started
T01 << 1462339508.92286992 Redistribute coefs (0.57687s) stopped
T01 >> 1462339508.92294693 Send coefs to domains (10.06015s) started
T01 << 1462339508.97034907 Send coefs to domains (10.10755s) stopped
T01 << 1462339508.97082496 Blacs Orbital Layouts (562.91948s) stopped
T01 >> 1462339508.97087693 Calculate projections (521.82098s) started
T01 << 1462339511.45034695 Calculate projections (524.30045s) stopped
T01 << 1462339511.45060110 LCAO eigensolver (1651.71095s) stopped
T01 >> 1462339511.45124888 Density (402.49656s) started
T01 >> 1462339511.45126104 Pseudo density (331.92964s) started
T01 >> 1462339511.45160699 Calculate density matrix (298.34991s) started
T01 << 1462339513.02567101 Calculate density matrix (299.92397s) stopped
T01 >> 1462339513.02574205 Construct density (33.10694s) started
T01 << 1462339513.19361401 Construct density (33.27481s) stopped
T01 >> 1462339513.19476390 Symmetrize density (0.00832s) started
T01 << 1462339513.19479489 Symmetrize density (0.00835s) stopped
T01 << 1462339513.19515896 Pseudo density (333.67353s) stopped
T01 >> 1462339513.19517899 Atomic density matrices (46.61298s) started
T01 << 1462339513.43065190 Atomic density matrices (46.84846s) stopped
T01 >> 1462339513.43068504 Multipole moments (0.73296s) started
T01 << 1462339513.43485904 Multipole moments (0.73713s) stopped
T01 >> 1462339513.43488097 Normalize (0.20205s) started
T01 << 1462339513.43584800 Normalize (0.20301s) stopped
T01 >> 1462339513.43588495 Mix (23.00634s) started
T01 << 1462339513.55516291 Mix (23.12561s) stopped
T01 << 1462339513.55520892 Density (404.60052s) stopped
T01 >> 1462339513.55531001 Hamiltonian (4594.27334s) started
T01 >> 1462339513.55533004 vbar (2.27242s) started
T01 << 1462339513.56777406 vbar (2.28487s) stopped
T01 >> 1462339513.56786394 XC 3D grid (1989.25019s) started
T01 >> 1462339513.74683094 van der Waals (1919.15585s) started
T01 >> 1462339513.78748989 semilocal (439.40299s) started
T01 << 1462339516.01787496 semilocal (441.63338s) stopped
T01 >> 1462339516.04886794 redistribute (219.60125s) started
T01 << 1462339516.43299103 redistribute (219.98537s) stopped
T01 >> 1462339516.43304396 libvdwxc nonlocal (1245.61009s) started
T01 << 1462339522.78623509 libvdwxc nonlocal (1251.96329s) stopped
T01 >> 1462339522.78631496 redistribute (219.98540s) started
T01 << 1462339523.53929901 redistribute (220.73839s) stopped
T01 << 1462339523.54051709 van der Waals (1928.94953s) stopped
T01 << 1462339523.72277093 XC 3D grid (1999.40509s) stopped
T01 >> 1462339523.72281098 Poisson (430.06728s) started
T01 << 1462339524.90673804 Poisson (431.25121s) stopped
T01 >> 1462339524.90679693 Hartree integrate/restrict (15.65023s) started
T01 << 1462339524.92164397 Hartree integrate/restrict (15.66507s) stopped
T01 >> 1462339524.92169309 Hartree integrate/restrict (15.66511s) started
T01 << 1462339524.98710394 Hartree integrate/restrict (15.73052s) stopped
T01 >> 1462339525.00903201 Atomic (1229.07727s) started
T01 >> 1462339525.01856804 XC Correction (1226.61167s) started
T01 << 1462339531.18992591 XC Correction (1232.78303s) stopped
T01 << 1462339531.19290996 Atomic (1235.26115s) stopped
T01 >> 1462339531.19302702 Communicate (923.54929s) started
T01 << 1462339536.39856410 Communicate (928.75483s) stopped
T01 << 1462339536.39860892 Hamiltonian (4617.11664s) stopped
T01 >> 1462339536.39872408 LCAO eigensolver (1651.71097s) started
T01 >> 1462339536.39874005 Potential matrix (52.39891s) started
T01 << 1462339536.65182090 Potential matrix (52.65199s) stopped
T01 >> 1462339536.65188408 DistributedAtomicCorrection (276.05187s) started
T01 << 1462339537.98759508 DistributedAtomicCorrection (277.38758s) stopped
T01 >> 1462339537.98765802 Distribute overlap matrix (235.86878s) started
T01 >> 1462339537.98767996 blocked summation (223.69002s) started
T01 << 1462339539.05212092 blocked summation (224.75447s) stopped
T01 >> 1462339539.05298901 Scalapack redistribute (11.89536s) started
T01 << 1462339539.11004806 Scalapack redistribute (11.95242s) stopped
T01 << 1462339539.11012101 Distribute overlap matrix (236.99125s) stopped
T01 >> 1462339539.11070108 Blacs Orbital Layouts (562.91950s) started
T01 >> 1462339539.11127496 General diagonalize (551.94439s) started
T01 << 1462339541.78019190 General diagonalize (554.61331s) stopped
T01 >> 1462339541.78024292 Redistribute coefs (0.57690s) started
T01 << 1462339541.78330398 Redistribute coefs (0.57996s) stopped
T01 >> 1462339541.78334093 Send coefs to domains (10.10758s) started
T01 << 1462339541.83000302 Send coefs to domains (10.15424s) stopped
T01 << 1462339541.83004808 Blacs Orbital Layouts (565.63884s) stopped
T01 >> 1462339541.83009291 Calculate projections (524.30050s) started
T01 << 1462339544.30979705 Calculate projections (526.78021s) stopped
T01 << 1462339544.30986309 LCAO eigensolver (1659.62211s) stopped
T01 >> 1462339544.31053209 Density (404.60053s) started
T01 >> 1462339544.31054401 Pseudo density (333.67355s) started
T01 >> 1462339544.31089497 Calculate density matrix (299.92401s) started
T01 << 1462339545.88964295 Calculate density matrix (301.50276s) stopped
T01 >> 1462339545.88971210 Construct density (33.27485s) started
T01 << 1462339546.05731392 Construct density (33.44245s) stopped
T01 >> 1462339546.05845499 Symmetrize density (0.00836s) started
T01 << 1462339546.05848598 Symmetrize density (0.00839s) stopped
T01 << 1462339546.05886889 Pseudo density (335.42187s) stopped
T01 >> 1462339546.05888891 Atomic density matrices (46.84848s) started
T01 << 1462339546.29515696 Atomic density matrices (47.08475s) stopped
T01 >> 1462339546.29519010 Multipole moments (0.73714s) started
T01 << 1462339546.29936290 Multipole moments (0.74132s) stopped
T01 >> 1462339546.29938602 Normalize (0.20304s) started
T01 << 1462339546.30034304 Normalize (0.20400s) stopped
T01 >> 1462339546.30037904 Mix (23.12566s) started
T01 << 1462339546.42026711 Mix (23.24555s) stopped
T01 << 1462339546.42031598 Density (406.71032s) stopped
T01 >> 1462339546.42041898 Hamiltonian (4617.11666s) started
T01 >> 1462339546.42043805 vbar (2.28492s) started
T01 << 1462339546.43247700 vbar (2.29696s) stopped
T01 >> 1462339546.43256211 XC 3D grid (1999.40512s) started
T01 >> 1462339546.60759592 van der Waals (1928.94957s) started
T01 >> 1462339546.64897394 semilocal (441.63347s) started
T01 << 1462339548.85961103 semilocal (443.84411s) stopped
T01 >> 1462339548.89088392 redistribute (220.73842s) started
T01 << 1462339549.29138589 redistribute (221.13893s) stopped
T01 >> 1462339549.29143906 libvdwxc nonlocal (1251.96333s) started
T01 << 1462339555.68417001 libvdwxc nonlocal (1258.35607s) stopped
T01 >> 1462339555.68424892 redistribute (221.13896s) started
T01 << 1462339556.43430591 redistribute (221.88901s) stopped
T01 << 1462339556.43531108 van der Waals (1938.77728s) stopped
T01 << 1462339556.61859608 XC 3D grid (2009.59116s) stopped
T01 >> 1462339556.61864591 Poisson (431.25125s) started
T01 << 1462339558.37902188 Poisson (433.01163s) stopped
T01 >> 1462339558.37912703 Hartree integrate/restrict (15.73055s) started
T01 << 1462339558.39416289 Hartree integrate/restrict (15.74558s) stopped
T01 >> 1462339558.39429498 Hartree integrate/restrict (15.74568s) started
T01 << 1462339558.45835805 Hartree integrate/restrict (15.80974s) stopped
T01 >> 1462339558.48189592 Atomic (1235.26117s) started
T01 >> 1462339558.49153996 XC Correction (1232.78305s) started
T01 << 1462339564.70915890 XC Correction (1239.00067s) stopped
T01 << 1462339564.71215391 Atomic (1241.49143s) stopped
T01 >> 1462339564.71226907 Communicate (928.75486s) started
T01 << 1462339569.90662289 Communicate (933.94922s) stopped
T01 << 1462339569.90666008 Hamiltonian (4640.60290s) stopped
T01 >> 1462339569.90677190 LCAO eigensolver (1659.62212s) started
T01 >> 1462339569.90678596 Potential matrix (52.65203s) started
T01 << 1462339570.16044307 Potential matrix (52.90568s) stopped
T01 >> 1462339570.16050410 DistributedAtomicCorrection (277.38761s) started
T01 << 1462339571.49045992 DistributedAtomicCorrection (278.71757s) stopped
T01 >> 1462339571.49051690 Distribute overlap matrix (236.99126s) started
T01 >> 1462339571.49053788 blocked summation (224.75450s) started
T01 << 1462339572.56946993 blocked summation (225.83343s) stopped
T01 >> 1462339572.57033801 Scalapack redistribute (11.95245s) started
T01 << 1462339572.62836194 Scalapack redistribute (12.01047s) stopped
T01 << 1462339572.62843704 Distribute overlap matrix (238.12918s) stopped
T01 >> 1462339572.62901092 Blacs Orbital Layouts (565.63885s) started
T01 >> 1462339572.62958503 General diagonalize (554.61334s) started
T01 << 1462339575.32215500 General diagonalize (557.30591s) stopped
T01 >> 1462339575.32220602 Redistribute coefs (0.57999s) started
T01 << 1462339575.32530093 Redistribute coefs (0.58309s) stopped
T01 >> 1462339575.32533908 Send coefs to domains (10.15428s) started
T01 << 1462339575.37325692 Send coefs to domains (10.20220s) stopped
T01 << 1462339575.37330508 Blacs Orbital Layouts (568.38315s) stopped
T01 >> 1462339575.37335205 Calculate projections (526.78025s) started
T01 << 1462339577.85445690 Calculate projections (529.26136s) stopped
T01 << 1462339577.85452795 LCAO eigensolver (1667.56988s) stopped
T01 >> 1462339577.85522008 Density (406.71033s) started
T01 >> 1462339577.85523295 Pseudo density (335.42189s) started
T01 >> 1462339577.85557890 Calculate density matrix (301.50279s) started
T01 << 1462339579.43288207 Calculate density matrix (303.08009s) stopped
T01 >> 1462339579.43295598 Construct density (33.44248s) started
T01 << 1462339579.60045600 Construct density (33.60998s) stopped
T01 >> 1462339579.60158396 Symmetrize density (0.00840s) started
T01 << 1462339579.60161495 Symmetrize density (0.00843s) stopped
T01 << 1462339579.60198212 Pseudo density (337.16864s) stopped
T01 >> 1462339579.60200191 Atomic density matrices (47.08477s) started
T01 << 1462339579.83728695 Atomic density matrices (47.32006s) stopped
T01 >> 1462339579.83732009 Multipole moments (0.74133s) started
T01 << 1462339579.84152699 Multipole moments (0.74554s) stopped
T01 >> 1462339579.84154892 Normalize (0.20402s) started
T01 << 1462339579.84251904 Normalize (0.20499s) stopped
T01 >> 1462339579.84255600 Mix (23.24559s) started
T01 << 1462339579.96222901 Mix (23.36527s) stopped
T01 << 1462339579.96227694 Density (408.81739s) stopped
T01 >> 1462339579.96237707 Hamiltonian (4640.60291s) started
T01 >> 1462339579.96239805 vbar (2.29701s) started
T01 << 1462339579.97494102 vbar (2.30955s) stopped
T01 >> 1462339579.97503090 XC 3D grid (2009.59120s) started
T01 >> 1462339580.15272403 van der Waals (1938.77731s) started
T01 >> 1462339580.19352794 semilocal (443.84418s) started
T01 << 1462339582.42920494 semilocal (446.07986s) stopped
T01 >> 1462339582.46206403 redistribute (221.88906s) started
T01 << 1462339582.84061694 redistribute (222.26762s) stopped
T01 >> 1462339582.84067106 libvdwxc nonlocal (1258.35611s) started
T01 << 1462339589.21487999 libvdwxc nonlocal (1264.73032s) stopped
T01 >> 1462339589.21496511 redistribute (222.26765s) started
T01 << 1462339589.96789193 redistribute (223.02058s) stopped
T01 << 1462339589.96937895 van der Waals (1948.59396s) stopped
T01 << 1462339590.15090108 XC 3D grid (2019.76707s) stopped
T01 >> 1462339590.15093803 Poisson (433.01170s) started
T01 << 1462339591.90891695 Poisson (434.76968s) stopped
T01 >> 1462339591.90898108 Hartree integrate/restrict (15.80977s) started
T01 << 1462339591.92392802 Hartree integrate/restrict (15.82472s) stopped
T01 >> 1462339591.92399907 Hartree integrate/restrict (15.82477s) started
T01 << 1462339591.98985410 Hartree integrate/restrict (15.89062s) stopped
T01 >> 1462339592.01114607 Atomic (1241.49144s) started
T01 >> 1462339592.02072096 XC Correction (1239.00069s) started
T01 << 1462339598.25076509 XC Correction (1245.23073s) stopped
T01 << 1462339598.25377893 Atomic (1247.73408s) stopped
T01 >> 1462339598.25389695 Communicate (933.94924s) started
T01 << 1462339603.47810793 Communicate (939.17345s) stopped
T01 << 1462339603.47813106 Hamiltonian (4664.11866s) stopped
T01 >> 1462339603.47819209 LCAO eigensolver (1667.56989s) started
T01 >> 1462339603.47820592 Potential matrix (52.90572s) started
T01 << 1462339603.73274302 Potential matrix (53.16025s) stopped
T01 >> 1462339603.73280311 DistributedAtomicCorrection (278.71760s) started
T01 << 1462339605.06650400 DistributedAtomicCorrection (280.05130s) stopped
T01 >> 1462339605.06656194 Distribute overlap matrix (238.12919s) started
T01 >> 1462339605.06658292 blocked summation (225.83347s) started
T01 << 1462339606.16015506 blocked summation (226.92704s) stopped
T01 >> 1462339606.16101789 Scalapack redistribute (12.01050s) started
T01 << 1462339606.21824288 Scalapack redistribute (12.06773s) stopped
T01 << 1462339606.21831703 Distribute overlap matrix (239.28094s) stopped
T01 >> 1462339606.21890306 Blacs Orbital Layouts (568.38316s) started
T01 >> 1462339606.21947694 General diagonalize (557.30594s) started
T01 << 1462339608.89895797 General diagonalize (559.98542s) stopped
T01 >> 1462339608.89900899 Redistribute coefs (0.58312s) started
T01 << 1462339608.90203595 Redistribute coefs (0.58614s) stopped
T01 >> 1462339608.90207410 Send coefs to domains (10.20223s) started
T01 << 1462339608.94805694 Send coefs to domains (10.24822s) stopped
T01 << 1462339608.94810390 Blacs Orbital Layouts (571.11236s) stopped
T01 >> 1462339608.94814897 Calculate projections (529.26141s) started
T01 << 1462339611.42779398 Calculate projections (531.74105s) stopped
T01 << 1462339611.42786002 LCAO eigensolver (1675.51956s) stopped
T01 << 1462339611.42852592 SCF-cycle (6748.62329s) stopped
T01 >> 1462339612.31702495 Force calculation (229.96057s) started
T01 >> 1462339612.31707692 LCAO forces (147.45085s) started
T01 >> 1462339612.31740999 Initial (0.00018s) started
T01 << 1462339612.31742001 Initial (0.00019s) stopped
T01 >> 1462339612.32187605 Get density matrix (28.04319s) started
T01 << 1462339612.91362309 Get density matrix (28.63493s) stopped
T01 >> 1462339612.91367292 Potential (10.70487s) started
T01 << 1462339614.24460411 Potential (12.03580s) stopped
T01 >> 1462339614.24466705 Get density matrix (28.63496s) started
T01 << 1462339617.19828105 Get density matrix (31.58858s) stopped
T01 >> 1462339617.19838405 Prepare TCI loop (15.33860s) started
T01 >> 1462339617.19882607 Get neighbors (12.92945s) started
T01 << 1462339618.77727890 Get neighbors (14.50790s) stopped
T01 >> 1462339618.77750707 broadcast dH (2.40367s) started
T01 << 1462339619.16162992 broadcast dH (2.78779s) stopped
T01 << 1462339619.16167212 Prepare TCI loop (17.30189s) stopped
T01 >> 1462339619.16169095 Not so complicated loop (20.38038s) started
T01 << 1462339621.77934909 Not so complicated loop (22.99803s) stopped
T01 >> 1462339621.87902498 Complicated loop (72.02591s) started
T01 << 1462339630.88698196 Complicated loop (81.03386s) stopped
T01 >> 1462339630.89536405 Wait for sum (0.00040s) started
T01 << 1462339630.89540005 Wait for sum (0.00043s) stopped
T01 << 1462339630.89541101 LCAO forces (166.02919s) stopped
T01 << 1462339641.11654401 Force calculation (258.76009s) stopped
T01 >> 1462339641.13388705 Initialization (445.72040s) started
T01 << 1462339641.13404608 Initialization (445.72056s) stopped
T01 >> 1462339641.13425708 Initialization (445.72058s) started
T01 << 1462339641.13438606 Initialization (445.72070s) stopped
T01 >> 1462339641.13451791 Initialization (445.72072s) started
T01 << 1462339641.13465095 Initialization (445.72085s) stopped
T01 >> 1462339661.50520992 Initialization (445.72087s) started
T01 >> 1462339661.57791901 Basic WFS set positions (0.84850s) started
T01 >> 1462339661.57794404 Redistribute (0.01977s) started
T01 << 1462339661.57807708 Redistribute (0.01991s) stopped
T01 << 1462339661.67525005 Basic WFS set positions (0.94583s) stopped
T01 >> 1462339661.67528105 Basis functions set positions (3.82334s) started
T01 << 1462339662.10283399 Basis functions set positions (4.25089s) stopped
T01 >> 1462339662.10354900 TCI: Calculate S, T, P (131.97303s) started
T01 << 1462339676.97887802 TCI: Calculate S, T, P (146.84836s) stopped
T01 >> 1462339676.97895288 blocked summation (35.67763s) started
T01 << 1462339681.22631192 blocked summation (39.92499s) stopped
T01 >> 1462339681.22708893 Scalapack redistribute (1.54400s) started
T01 << 1462339681.29138303 Scalapack redistribute (1.60830s) stopped
T01 >> 1462339681.29171801 blocked summation (39.92504s) started
T01 << 1462339681.47063208 blocked summation (40.10395s) stopped
T01 >> 1462339681.47232294 Scalapack redistribute (1.60835s) started
T01 << 1462339681.67071700 Scalapack redistribute (1.80674s) stopped
T01 >> 1462339681.67222810 Redistribute (0.01606s) started
T01 << 1462339681.67318296 Redistribute (0.01701s) stopped
T01 >> 1462339682.61211300 Redistribute (0.01703s) started
T01 << 1462339682.61303496 Redistribute (0.01795s) stopped
T01 >> 1462339682.62143803 LCAO WFS Initialize (261.24111s) started
T01 >> 1462339682.62146401 Density initialize from wavefunctions (9.54917s) started
T01 >> 1462339682.62190604 Calculate density matrix (5.56213s) started
T01 << 1462339683.33725405 Calculate density matrix (6.27747s) stopped
T01 >> 1462339683.33733511 Construct density (1.34294s) started
T01 << 1462339683.50503302 Construct density (1.51064s) stopped
T01 >> 1462339683.50635910 Symmetrize density (0.00032s) started
T01 << 1462339683.50638795 Symmetrize density (0.00035s) stopped
T01 << 1462339683.83749390 Density initialize from wavefunctions (10.76520s) stopped
T01 >> 1462339683.83815503 Hamiltonian (251.49230s) started
T01 >> 1462339683.83819795 vbar (0.11036s) started
T01 << 1462339683.85153294 vbar (0.12370s) stopped
T01 >> 1462339683.85163903 XC 3D grid (90.64296s) started
T01 >> 1462339684.03244710 van der Waals (87.45194s) started
T01 >> 1462339684.07393098 semilocal (20.05037s) started
T01 << 1462339686.29377103 semilocal (22.27021s) stopped
T01 >> 1462339686.32501507 redistribute (9.98261s) started
T01 << 1462339686.71775293 redistribute (10.37535s) stopped
T01 >> 1462339686.71779299 libvdwxc nonlocal (56.75768s) started
T01 << 1462339693.14301610 libvdwxc nonlocal (63.18290s) stopped
T01 >> 1462339693.14306688 redistribute (10.37538s) started
T01 << 1462339693.91637993 redistribute (11.14869s) stopped
T01 << 1462339693.91753006 van der Waals (97.33702s) stopped
T01 << 1462339694.09811091 XC 3D grid (100.88943s) stopped
T01 >> 1462339694.09815192 Poisson (44.01902s) started
T01 << 1462339698.76069999 Poisson (48.68157s) stopped
T01 >> 1462339698.76075792 Hartree integrate/restrict (0.71122s) started
T01 << 1462339698.77532911 Hartree integrate/restrict (0.72579s) stopped
T01 >> 1462339698.77543306 Hartree integrate/restrict (0.72586s) started
T01 << 1462339698.84127808 Hartree integrate/restrict (0.79171s) stopped
T01 >> 1462339698.86673594 Atomic (59.65754s) started
T01 >> 1462339698.87711406 XC Correction (59.54433s) started
T01 << 1462339705.40704203 XC Correction (66.07426s) stopped
T01 << 1462339705.41004205 Atomic (66.20085s) stopped
T01 >> 1462339705.41022992 Communicate (56.13238s) started
T01 << 1462339711.51973391 Communicate (62.24189s) stopped
T01 << 1462339711.51976609 Hamiltonian (279.17391s) stopped
T01 << 1462339711.51981306 LCAO WFS Initialize (290.13949s) stopped
T01 << 1462339711.53193903 Initialization (495.74760s) stopped
T01 >> 1462339711.55591106 SCF-cycle (6748.62330s) started
T01 >> 1462339711.55594397 LCAO eigensolver (1675.51957s) started
T01 >> 1462339711.55595589 Potential matrix (53.16029s) started
T01 << 1462339711.80876899 Potential matrix (53.41310s) stopped
T01 >> 1462339711.80883408 DistributedAtomicCorrection (280.05133s) started
T01 << 1462339713.11137605 DistributedAtomicCorrection (281.35387s) stopped
T01 >> 1462339713.11143899 Distribute overlap matrix (239.28096s) started
T01 >> 1462339713.11146092 blocked summation (226.92707s) started
T01 << 1462339714.22485399 blocked summation (228.04047s) stopped
T01 >> 1462339714.22564006 Scalapack redistribute (12.06776s) started
T01 << 1462339714.27693796 Scalapack redistribute (12.11906s) stopped
T01 << 1462339714.27701998 Distribute overlap matrix (240.44654s) stopped
T01 >> 1462339714.27764893 Blacs Orbital Layouts (571.11237s) started
T01 >> 1462339714.27828908 General diagonalize (559.98545s) started
T01 << 1462339716.99938393 General diagonalize (562.70655s) stopped
T01 >> 1462339716.99942398 Redistribute coefs (0.58617s) started
T01 << 1462339717.00287390 Redistribute coefs (0.58962s) stopped
T01 >> 1462339717.00291395 Send coefs to domains (10.24825s) started
T01 << 1462339717.06107402 Send coefs to domains (10.30641s) stopped
T01 << 1462339717.06115603 Blacs Orbital Layouts (573.89588s) stopped
T01 >> 1462339717.06118107 Calculate projections (531.74110s) started
T01 << 1462339719.54055190 Calculate projections (534.22047s) stopped
T01 << 1462339719.54061198 LCAO eigensolver (1683.50424s) stopped
T01 >> 1462339719.54121494 Density (408.81741s) started
T01 >> 1462339719.54122710 Pseudo density (337.16865s) started
T01 >> 1462339719.54156995 Calculate density matrix (303.08013s) started
T01 << 1462339721.13508201 Calculate density matrix (304.67364s) stopped
T01 >> 1462339721.13516307 Construct density (33.61001s) started
T01 << 1462339721.30292892 Construct density (33.77778s) stopped
T01 >> 1462339721.30404806 Symmetrize density (0.00845s) started
T01 << 1462339721.30407810 Symmetrize density (0.00848s) stopped
T01 << 1462339721.30443692 Pseudo density (338.93186s) stopped
T01 >> 1462339721.30445695 Atomic density matrices (47.32008s) started
T01 << 1462339721.54247904 Atomic density matrices (47.55810s) stopped
T01 >> 1462339721.54251194 Multipole moments (0.74555s) started
T01 << 1462339721.54659510 Multipole moments (0.74964s) stopped
T01 >> 1462339721.54661989 Normalize (0.20502s) started
T01 << 1462339721.54762793 Normalize (0.20603s) stopped
T01 >> 1462339721.54766011 Mix (23.36531s) started
T01 << 1462339721.64937997 Mix (23.46703s) stopped
T01 << 1462339721.64942503 Density (410.92562s) stopped
T01 >> 1462339721.64951110 Hamiltonian (4664.11867s) started
T01 >> 1462339721.64952898 vbar (2.30960s) started
T01 << 1462339721.66315007 vbar (2.32322s) stopped
T01 >> 1462339721.66320992 XC 3D grid (2019.76710s) started
T01 >> 1462339721.84574604 van der Waals (1948.59401s) started
T01 >> 1462339721.88679409 semilocal (446.07992s) started
T01 << 1462339724.11668205 semilocal (448.30981s) stopped
T01 >> 1462339724.14896894 redistribute (223.02061s) started
T01 << 1462339724.53142500 redistribute (223.40307s) stopped
T01 >> 1462339724.53146505 libvdwxc nonlocal (1264.73037s) started
T01 << 1462339730.98071504 libvdwxc nonlocal (1271.17962s) stopped
T01 >> 1462339730.98078895 redistribute (223.40310s) started
T01 << 1462339731.76277304 redistribute (224.18508s) stopped
T01 << 1462339731.76406407 van der Waals (1958.51232s) stopped
T01 << 1462339731.94533801 XC 3D grid (2030.04922s) stopped
T01 >> 1462339731.94539309 Poisson (434.76973s) started
T01 << 1462339734.28659391 Poisson (437.11093s) stopped
T01 >> 1462339734.28669000 Hartree integrate/restrict (15.89066s) started
T01 << 1462339734.30148602 Hartree integrate/restrict (15.90545s) stopped
T01 >> 1462339734.30157709 Hartree integrate/restrict (15.90552s) started
T01 << 1462339734.36814904 Hartree integrate/restrict (15.97209s) stopped
T01 >> 1462339734.38820195 Atomic (1247.73410s) started
T01 >> 1462339734.39826488 XC Correction (1245.23076s) started
T01 << 1462339740.96839499 XC Correction (1251.80089s) stopped
T01 << 1462339740.97136402 Atomic (1254.31726s) stopped
T01 >> 1462339740.97148395 Communicate (939.17347s) started
T01 << 1462339746.53063798 Communicate (944.73262s) stopped
T01 << 1462339746.53066897 Hamiltonian (4688.99983s) stopped
T01 >> 1462339746.53075910 LCAO eigensolver (1683.50426s) started
T01 >> 1462339746.53077292 Potential matrix (53.41314s) started
T01 << 1462339746.78602195 Potential matrix (53.66839s) stopped
T01 >> 1462339746.78608489 DistributedAtomicCorrection (281.35390s) started
T01 << 1462339748.08948898 DistributedAtomicCorrection (282.65731s) stopped
T01 >> 1462339748.08955407 Distribute overlap matrix (240.44655s) started
T01 >> 1462339748.08957505 blocked summation (228.04050s) started
T01 << 1462339749.20807099 blocked summation (229.15900s) stopped
T01 >> 1462339749.20884800 Scalapack redistribute (12.11909s) started
T01 << 1462339749.26028109 Scalapack redistribute (12.17052s) stopped
T01 << 1462339749.26035500 Distribute overlap matrix (241.61735s) stopped
T01 >> 1462339749.26092792 Blacs Orbital Layouts (573.89589s) started
T01 >> 1462339749.26151299 General diagonalize (562.70658s) started
T01 << 1462339751.97117805 General diagonalize (565.41624s) stopped
T01 >> 1462339751.97121811 Redistribute coefs (0.58966s) started
T01 << 1462339751.97374892 Redistribute coefs (0.59219s) stopped
T01 >> 1462339751.97378993 Send coefs to domains (10.30648s) started
T01 << 1462339752.03275299 Send coefs to domains (10.36544s) stopped
T01 << 1462339752.03283906 Blacs Orbital Layouts (576.66780s) stopped
T01 >> 1462339752.03289199 Calculate projections (534.22052s) started
T01 << 1462339754.51201296 Calculate projections (536.69964s) stopped
T01 << 1462339754.51207399 LCAO eigensolver (1691.48557s) stopped
T01 >> 1462339754.51269197 Density (410.92563s) started
T01 >> 1462339754.51270509 Pseudo density (338.93188s) started
T01 >> 1462339754.51304793 Calculate density matrix (304.67370s) started
T01 << 1462339756.10922790 Calculate density matrix (306.26988s) stopped
T01 >> 1462339756.10931301 Construct density (33.77781s) started
T01 << 1462339756.27697706 Construct density (33.94548s) stopped
T01 >> 1462339756.27809095 Symmetrize density (0.00849s) started
T01 << 1462339756.27812290 Symmetrize density (0.00852s) stopped
T01 << 1462339756.27847791 Pseudo density (340.69765s) stopped
T01 >> 1462339756.27849793 Atomic density matrices (47.55812s) started
T01 << 1462339756.51581407 Atomic density matrices (47.79544s) stopped
T01 >> 1462339756.51584697 Multipole moments (0.74965s) started
T01 << 1462339756.51991391 Multipole moments (0.75372s) stopped
T01 >> 1462339756.51993608 Normalize (0.20605s) started
T01 << 1462339756.52093792 Normalize (0.20705s) stopped
T01 >> 1462339756.52097797 Mix (23.46708s) started
T01 << 1462339756.62724710 Mix (23.57335s) stopped
T01 << 1462339756.62729907 Density (413.04023s) stopped
T01 >> 1462339756.62739491 Hamiltonian (4688.99985s) started
T01 >> 1462339756.62741208 vbar (2.32325s) started
T01 << 1462339756.64087200 vbar (2.33671s) stopped
T01 >> 1462339756.64093304 XC 3D grid (2030.04927s) started
T01 >> 1462339756.82253599 van der Waals (1958.51236s) started
T01 >> 1462339756.86454511 semilocal (448.30991s) started
T01 << 1462339759.10349298 semilocal (450.54885s) stopped
T01 >> 1462339759.13637400 redistribute (224.18512s) started
T01 << 1462339759.51705003 redistribute (224.56579s) stopped
T01 >> 1462339759.51711202 libvdwxc nonlocal (1271.17968s) started
T01 << 1462339765.93959308 libvdwxc nonlocal (1277.60217s) stopped
T01 >> 1462339765.93964505 redistribute (224.56584s) started
T01 << 1462339766.71754289 redistribute (225.34374s) stopped
T01 << 1462339766.71898293 van der Waals (1968.40881s) stopped
T01 << 1462339766.90009999 XC 3D grid (2040.30844s) stopped
T01 >> 1462339766.90013695 Poisson (437.11101s) started
T01 << 1462339769.24321389 Poisson (439.45408s) stopped
T01 >> 1462339769.24327803 Hartree integrate/restrict (15.97213s) started
T01 << 1462339769.25795197 Hartree integrate/restrict (15.98681s) stopped
T01 >> 1462339769.25801802 Hartree integrate/restrict (15.98685s) started
T01 << 1462339769.32529902 Hartree integrate/restrict (16.05413s) stopped
T01 >> 1462339769.34684706 Atomic (1254.31728s) started
T01 >> 1462339769.35687590 XC Correction (1251.80091s) started
T01 << 1462339775.59402990 XC Correction (1258.03807s) stopped
T01 << 1462339775.59700608 Atomic (1260.56743s) stopped
T01 >> 1462339775.59712291 Communicate (944.73264s) started
T01 << 1462339780.83902597 Communicate (949.97455s) stopped
T01 << 1462339780.83905506 Hamiltonian (4713.21151s) stopped
T01 >> 1462339780.83913493 LCAO eigensolver (1691.48558s) started
T01 >> 1462339780.83914804 Potential matrix (53.66842s) started
T01 << 1462339781.09382510 Potential matrix (53.92310s) stopped
T01 >> 1462339781.09388900 DistributedAtomicCorrection (282.65734s) started
T01 << 1462339782.39869189 DistributedAtomicCorrection (283.96215s) stopped
T01 >> 1462339782.39875197 Distribute overlap matrix (241.61736s) started
T01 >> 1462339782.39877295 blocked summation (229.15903s) started
T01 << 1462339783.50691891 blocked summation (230.26718s) stopped
T01 >> 1462339783.50767708 Scalapack redistribute (12.17055s) started
T01 << 1462339783.56155896 Scalapack redistribute (12.22443s) stopped
T01 << 1462339783.56163001 Distribute overlap matrix (242.78024s) stopped
T01 >> 1462339783.56218910 Blacs Orbital Layouts (576.66781s) started
T01 >> 1462339783.56277609 General diagonalize (565.41627s) started
T01 << 1462339786.24853110 General diagonalize (568.10203s) stopped
T01 >> 1462339786.24857092 Redistribute coefs (0.59222s) started
T01 << 1462339786.25092602 Redistribute coefs (0.59457s) stopped
T01 >> 1462339786.25096703 Send coefs to domains (10.36551s) started
T01 << 1462339786.30390501 Send coefs to domains (10.41845s) stopped
T01 << 1462339786.30397797 Blacs Orbital Layouts (579.40960s) stopped
T01 >> 1462339786.30401993 Calculate projections (536.69968s) started
T01 << 1462339788.78450394 Calculate projections (539.18016s) stopped
T01 << 1462339788.78456593 LCAO eigensolver (1699.43102s) stopped
T01 >> 1462339788.78523898 Density (413.04025s) started
T01 >> 1462339788.78525090 Pseudo density (340.69767s) started
T01 >> 1462339788.78559589 Calculate density matrix (306.26994s) started
T01 << 1462339790.37096095 Calculate density matrix (307.85530s) stopped
T01 >> 1462339790.37105107 Construct density (33.94551s) started
T01 << 1462339790.53857708 Construct density (34.11304s) stopped
T01 >> 1462339790.53971791 Symmetrize density (0.00853s) started
T01 << 1462339790.53975010 Symmetrize density (0.00856s) stopped
T01 << 1462339790.54010606 Pseudo density (342.45252s) stopped
T01 >> 1462339790.54012489 Atomic density matrices (47.79546s) started
T01 << 1462339790.77755404 Atomic density matrices (48.03289s) stopped
T01 >> 1462339790.77758694 Multipole moments (0.75373s) started
T01 << 1462339790.78157997 Multipole moments (0.75773s) stopped
T01 >> 1462339790.78160095 Normalize (0.20708s) started
T01 << 1462339790.78261089 Normalize (0.20809s) stopped
T01 >> 1462339790.78264999 Mix (23.57340s) started
T01 << 1462339790.88961411 Mix (23.68036s) stopped
T01 << 1462339790.88968205 Density (415.14469s) stopped
T01 >> 1462339790.88976407 Hamiltonian (4713.21152s) started
T01 >> 1462339790.88982511 vbar (2.33675s) started
T01 << 1462339790.90412498 vbar (2.35105s) stopped
T01 >> 1462339790.90428495 XC 3D grid (2040.30847s) started
T01 >> 1462339791.08547902 van der Waals (1968.40883s) started
T01 >> 1462339791.12741899 semilocal (450.54893s) started
T01 << 1462339793.34506392 semilocal (452.76657s) stopped
T01 >> 1462339793.37772703 redistribute (225.34379s) started
T01 << 1462339793.77211809 redistribute (225.73818s) stopped
T01 >> 1462339793.77217889 libvdwxc nonlocal (1277.60221s) started
T01 << 1462339800.21062708 libvdwxc nonlocal (1284.04065s) stopped
T01 >> 1462339800.21070790 redistribute (225.73821s) started
T01 << 1462339801.00008202 redistribute (226.52759s) stopped
T01 << 1462339801.00153589 van der Waals (1978.32489s) stopped
T01 << 1462339801.18055701 XC 3D grid (2050.58474s) stopped
T01 >> 1462339801.18059492 Poisson (439.45413s) started
T01 << 1462339803.53109694 Poisson (441.80463s) stopped
T01 >> 1462339803.53115892 Hartree integrate/restrict (16.05417s) started
T01 << 1462339803.54589510 Hartree integrate/restrict (16.06890s) stopped
T01 >> 1462339803.54597592 Hartree integrate/restrict (16.06897s) started
T01 << 1462339803.61144900 Hartree integrate/restrict (16.13444s) stopped
T01 >> 1462339803.63525200 Atomic (1260.56745s) started
T01 >> 1462339803.64529896 XC Correction (1258.03809s) started
T01 << 1462339809.88816309 XC Correction (1264.28095s) stopped
T01 << 1462339809.89111805 Atomic (1266.82332s) stopped
T01 >> 1462339809.89124107 Communicate (949.97457s) started
T01 << 1462339814.71413589 Communicate (954.79746s) stopped
T01 << 1462339814.71416211 Hamiltonian (4737.03592s) stopped
T01 >> 1462339814.71422601 LCAO eigensolver (1699.43103s) started
T01 >> 1462339814.71424007 Potential matrix (53.92313s) started
T01 << 1462339814.96922803 Potential matrix (54.17812s) stopped
T01 >> 1462339814.96929097 DistributedAtomicCorrection (283.96218s) started
T01 << 1462339816.27709007 DistributedAtomicCorrection (285.26998s) stopped
T01 >> 1462339816.27714992 Distribute overlap matrix (242.78025s) started
T01 >> 1462339816.27717090 blocked summation (230.26721s) started
T01 << 1462339817.37550211 blocked summation (231.36554s) stopped
T01 >> 1462339817.37626290 Scalapack redistribute (12.22446s) started
T01 << 1462339817.43453789 Scalapack redistribute (12.28274s) stopped
T01 << 1462339817.43460703 Distribute overlap matrix (243.93771s) stopped
T01 >> 1462339817.43517399 Blacs Orbital Layouts (579.40961s) started
T01 >> 1462339817.43575811 General diagonalize (568.10206s) started
T01 << 1462339820.15968490 General diagonalize (570.82599s) stopped
T01 >> 1462339820.15973592 Redistribute coefs (0.59460s) started
T01 << 1462339820.16214108 Redistribute coefs (0.59701s) stopped
T01 >> 1462339820.16221309 Send coefs to domains (10.41851s) started
T01 << 1462339820.21487594 Send coefs to domains (10.47117s) stopped
T01 << 1462339820.21495104 Blacs Orbital Layouts (582.18939s) stopped
T01 >> 1462339820.21499705 Calculate projections (539.18021s) started
T01 << 1462339822.69403410 Calculate projections (541.65924s) stopped
T01 << 1462339822.69409609 LCAO eigensolver (1707.41090s) stopped
T01 >> 1462339822.69478297 Density (415.14470s) started
T01 >> 1462339822.69479489 Pseudo density (342.45253s) started
T01 >> 1462339822.69514108 Calculate density matrix (307.85536s) started
T01 << 1462339824.28508496 Calculate density matrix (309.44530s) stopped
T01 >> 1462339824.28518105 Construct density (34.11307s) started
T01 << 1462339824.45301700 Construct density (34.28091s) stopped
T01 >> 1462339824.45415211 Symmetrize density (0.00857s) started
T01 << 1462339824.45418310 Symmetrize density (0.00860s) stopped
T01 << 1462339824.45453691 Pseudo density (344.21228s) stopped
T01 >> 1462339824.45455694 Atomic density matrices (48.03291s) started
T01 << 1462339824.69175291 Atomic density matrices (48.27011s) stopped
T01 >> 1462339824.69178700 Multipole moments (0.75774s) started
T01 << 1462339824.69576406 Multipole moments (0.76172s) stopped
T01 >> 1462339824.69578600 Normalize (0.20812s) started
T01 << 1462339824.69680190 Normalize (0.20914s) stopped
T01 >> 1462339824.69683409 Mix (23.68042s) started
T01 << 1462339824.80530691 Mix (23.78890s) stopped
T01 << 1462339824.80535603 Density (417.25528s) stopped
T01 >> 1462339824.80543303 Hamiltonian (4737.03593s) started
T01 >> 1462339824.80544996 vbar (2.35114s) started
T01 << 1462339824.81950903 vbar (2.36520s) stopped
T01 >> 1462339824.81960511 XC 3D grid (2050.58477s) started
T01 >> 1462339825.00607300 van der Waals (1978.32493s) started
T01 >> 1462339825.04778409 semilocal (452.76667s) started
T01 << 1462339827.27296495 semilocal (454.99185s) stopped
T01 >> 1462339827.30317998 redistribute (226.52762s) started
T01 << 1462339827.68632793 redistribute (226.91077s) stopped
T01 >> 1462339827.68638802 libvdwxc nonlocal (1284.04071s) started
T01 << 1462339834.10378098 libvdwxc nonlocal (1290.45810s) stopped
T01 >> 1462339834.10385990 redistribute (226.91080s) started
T01 << 1462339834.89022994 redistribute (227.69717s) stopped
T01 << 1462339834.89155412 van der Waals (1988.21041s) stopped
T01 << 1462339835.07317400 XC 3D grid (2060.83834s) stopped
T01 >> 1462339835.07322907 Poisson (441.80468s) started
T01 << 1462339837.42398691 Poisson (444.15543s) stopped
T01 >> 1462339837.42408991 Hartree integrate/restrict (16.13447s) started
T01 << 1462339837.43890595 Hartree integrate/restrict (16.14929s) stopped
T01 >> 1462339837.43903399 Hartree integrate/restrict (16.14938s) started
T01 << 1462339837.50505805 Hartree integrate/restrict (16.21540s) stopped
T01 >> 1462339837.52275300 Atomic (1266.82333s) started
T01 >> 1462339837.53276992 XC Correction (1264.28097s) started
T01 << 1462339843.80182910 XC Correction (1270.55003s) stopped
T01 << 1462339843.80478692 Atomic (1273.10537s) stopped
T01 >> 1462339843.80490494 Communicate (954.79748s) started
T01 << 1462339848.21507907 Communicate (959.20765s) stopped
T01 << 1462339848.21510506 Hamiltonian (4760.44560s) stopped
T01 >> 1462339848.21516895 LCAO eigensolver (1707.41091s) started
T01 >> 1462339848.21518302 Potential matrix (54.17816s) started
T01 << 1462339848.46987891 Potential matrix (54.43285s) stopped
T01 >> 1462339848.46994090 DistributedAtomicCorrection (285.27001s) started
T01 << 1462339849.77872205 DistributedAtomicCorrection (286.57879s) stopped
T01 >> 1462339849.77878094 Distribute overlap matrix (243.93772s) started
T01 >> 1462339849.77880192 blocked summation (231.36557s) started
T01 << 1462339850.87991810 blocked summation (232.46669s) stopped
T01 >> 1462339850.88071895 Scalapack redistribute (12.28276s) started
T01 << 1462339850.94191694 Scalapack redistribute (12.34396s) stopped
T01 << 1462339850.94198895 Distribute overlap matrix (245.10093s) stopped
T01 >> 1462339850.94253707 Blacs Orbital Layouts (582.18940s) started
T01 >> 1462339850.94392896 General diagonalize (570.82602s) started
T01 << 1462339853.67257595 General diagonalize (573.55466s) stopped
T01 >> 1462339853.67263198 Redistribute coefs (0.59704s) started
T01 << 1462339853.67583704 Redistribute coefs (0.60024s) stopped
T01 >> 1462339853.67587399 Send coefs to domains (10.47123s) started
T01 << 1462339853.72957301 Send coefs to domains (10.52493s) stopped
T01 << 1462339853.72990608 Blacs Orbital Layouts (584.97677s) stopped
T01 >> 1462339853.72996306 Calculate projections (541.65929s) started
T01 << 1462339856.20902300 Calculate projections (544.13835s) stopped
T01 << 1462339856.20908403 LCAO eigensolver (1715.40482s) stopped
T01 >> 1462339856.20977902 Density (417.25529s) started
T01 >> 1462339856.20979095 Pseudo density (344.21229s) started
T01 >> 1462339856.21013904 Calculate density matrix (309.44536s) started
T01 << 1462339857.80693603 Calculate density matrix (311.04216s) stopped
T01 >> 1462339857.80703306 Construct density (34.28094s) started
T01 << 1462339857.97458792 Construct density (34.44849s) stopped
T01 >> 1462339857.97573090 Symmetrize density (0.00862s) started
T01 << 1462339857.97576189 Symmetrize density (0.00865s) stopped
T01 << 1462339857.97611809 Pseudo density (345.97862s) stopped
T01 >> 1462339857.97613692 Atomic density matrices (48.27013s) started
T01 << 1462339858.21335602 Atomic density matrices (48.50735s) stopped
T01 >> 1462339858.21339011 Multipole moments (0.76173s) started
T01 << 1462339858.21737194 Multipole moments (0.76572s) stopped
T01 >> 1462339858.21739411 Normalize (0.20916s) started
T01 << 1462339858.21840310 Normalize (0.21017s) stopped
T01 >> 1462339858.21843696 Mix (23.78894s) started
T01 << 1462339858.33118701 Mix (23.90169s) stopped
T01 << 1462339858.33122492 Density (419.37673s) stopped
T01 >> 1462339858.33130908 Hamiltonian (4760.44561s) started
T01 >> 1462339858.33132696 vbar (2.36525s) started
T01 << 1462339858.34562802 vbar (2.37955s) stopped
T01 >> 1462339858.34568501 XC 3D grid (2060.83838s) started
T01 >> 1462339858.52894306 van der Waals (1988.21046s) started
T01 >> 1462339858.56964111 semilocal (454.99190s) started
T01 << 1462339860.80257797 semilocal (457.22484s) stopped
T01 >> 1462339860.83514810 redistribute (227.69720s) started
T01 << 1462339861.21149611 redistribute (228.07355s) stopped
T01 >> 1462339861.21155691 libvdwxc nonlocal (1290.45815s) started
T01 << 1462339867.63125396 libvdwxc nonlocal (1296.87785s) stopped
T01 >> 1462339867.63133001 redistribute (228.07358s) started
T01 << 1462339868.41547704 redistribute (228.85773s) stopped
T01 << 1462339868.41682792 van der Waals (1998.09835s) stopped
T01 << 1462339868.59529996 XC 3D grid (2071.08799s) stopped
T01 >> 1462339868.59534097 Poisson (444.15551s) started
T01 << 1462339871.52723598 Poisson (447.08741s) stopped
T01 >> 1462339871.52730608 Hartree integrate/restrict (16.21543s) started
T01 << 1462339871.54201102 Hartree integrate/restrict (16.23013s) stopped
T01 >> 1462339871.54207897 Hartree integrate/restrict (16.23018s) started
T01 << 1462339871.60843205 Hartree integrate/restrict (16.29653s) stopped
T01 >> 1462339871.63018203 Atomic (1273.10538s) started
T01 >> 1462339871.64037704 XC Correction (1270.55005s) started
T01 << 1462339878.03764510 XC Correction (1276.94732s) stopped
T01 << 1462339878.04065204 Atomic (1279.51585s) stopped
T01 >> 1462339878.04077291 Communicate (959.20767s) started
T01 << 1462339882.33999491 Communicate (963.50689s) stopped
T01 << 1462339882.34001803 Hamiltonian (4784.45432s) stopped
T01 >> 1462339882.34007907 LCAO eigensolver (1715.40484s) started
T01 >> 1462339882.34009290 Potential matrix (54.43289s) started
T01 << 1462339882.59266901 Potential matrix (54.68546s) stopped
T01 >> 1462339882.59272909 DistributedAtomicCorrection (286.57882s) started
T01 << 1462339883.91124201 DistributedAtomicCorrection (287.89733s) stopped
T01 >> 1462339883.91130209 Distribute overlap matrix (245.10094s) started
T01 >> 1462339883.91132307 blocked summation (232.46672s) started
T01 << 1462339884.99421406 blocked summation (233.54961s) stopped
T01 >> 1462339884.99574709 Scalapack redistribute (12.34399s) started
T01 << 1462339885.05608106 Scalapack redistribute (12.40433s) stopped
T01 << 1462339885.05615497 Distribute overlap matrix (246.24579s) stopped
T01 >> 1462339885.05674291 Blacs Orbital Layouts (584.97679s) started
T01 >> 1462339885.05810499 General diagonalize (573.55470s) started
T01 << 1462339887.74793601 General diagonalize (576.24453s) stopped
T01 >> 1462339887.74798894 Redistribute coefs (0.60027s) started
T01 << 1462339887.75083899 Redistribute coefs (0.60312s) stopped
T01 >> 1462339887.75087690 Send coefs to domains (10.52499s) started
T01 << 1462339887.80287504 Send coefs to domains (10.57699s) stopped
T01 << 1462339887.80320692 Blacs Orbital Layouts (587.72325s) stopped
T01 >> 1462339887.80325699 Calculate projections (544.13839s) started
T01 << 1462339890.28266406 Calculate projections (546.61780s) stopped
T01 << 1462339890.28291607 LCAO eigensolver (1723.34767s) stopped
T01 >> 1462339890.28355694 Density (419.37675s) started
T01 >> 1462339890.28357005 Pseudo density (345.97863s) started
T01 >> 1462339890.28392196 Calculate density matrix (311.04221s) started
T01 << 1462339891.88310409 Calculate density matrix (312.64139s) stopped
T01 >> 1462339891.88320088 Construct density (34.44853s) started
T01 << 1462339892.05087900 Construct density (34.61621s) stopped
T01 >> 1462339892.05201197 Symmetrize density (0.00866s) started
T01 << 1462339892.05204201 Symmetrize density (0.00869s) stopped
T01 << 1462339892.05239606 Pseudo density (347.74746s) stopped
T01 >> 1462339892.05241489 Atomic density matrices (48.50737s) started
T01 << 1462339892.28979897 Atomic density matrices (48.74475s) stopped
T01 >> 1462339892.28983307 Multipole moments (0.76573s) started
T01 << 1462339892.29380703 Multipole moments (0.76971s) stopped
T01 >> 1462339892.29382896 Normalize (0.21020s) started
T01 << 1462339892.29484797 Normalize (0.21121s) stopped
T01 >> 1462339892.29488111 Mix (23.90173s) started
T01 << 1462339892.40725493 Mix (24.01411s) stopped
T01 << 1462339892.40729189 Density (421.50048s) stopped
T01 >> 1462339892.40736794 Hamiltonian (4784.45433s) started
T01 >> 1462339892.40738392 vbar (2.37958s) started
T01 << 1462339892.42193103 vbar (2.39413s) stopped
T01 >> 1462339892.42199397 XC 3D grid (2071.08802s) started
T01 >> 1462339892.60583496 van der Waals (1998.09840s) started
T01 >> 1462339892.64664793 semilocal (457.22494s) started
T01 << 1462339894.85766411 semilocal (459.43595s) stopped
T01 >> 1462339894.88908410 redistribute (228.85776s) started
T01 << 1462339895.28742504 redistribute (229.25611s) stopped
T01 >> 1462339895.28748393 libvdwxc nonlocal (1296.87789s) started
T01 << 1462339901.73307395 libvdwxc nonlocal (1303.32348s) stopped
T01 >> 1462339901.73314190 redistribute (229.25614s) started
T01 << 1462339902.51626897 redistribute (230.03926s) stopped
T01 << 1462339902.51754189 van der Waals (2008.01010s) stopped
T01 << 1462339902.69875312 XC 3D grid (2081.36478s) stopped
T01 >> 1462339902.69879103 Poisson (447.08746s) started
T01 << 1462339905.05675006 Poisson (449.44542s) stopped
T01 >> 1462339905.05682993 Hartree integrate/restrict (16.29656s) started
T01 << 1462339905.07192802 Hartree integrate/restrict (16.31165s) stopped
T01 >> 1462339905.07197905 Hartree integrate/restrict (16.31169s) started
T01 << 1462339905.13839602 Hartree integrate/restrict (16.37810s) stopped
T01 >> 1462339905.15920806 Atomic (1279.51587s) started
T01 >> 1462339905.16941094 XC Correction (1276.94734s) started
T01 << 1462339911.51313305 XC Correction (1283.29107s) stopped
T01 << 1462339911.51614404 Atomic (1285.87281s) stopped
T01 >> 1462339911.51626301 Communicate (963.50691s) started
T01 << 1462339916.04949307 Communicate (968.04014s) stopped
T01 << 1462339916.04951596 Hamiltonian (4808.09648s) stopped
T01 >> 1462339916.04957795 LCAO eigensolver (1723.34769s) started
T01 >> 1462339916.04959202 Potential matrix (54.68549s) started
T01 << 1462339916.30356908 Potential matrix (54.93947s) stopped
T01 >> 1462339916.30363607 DistributedAtomicCorrection (287.89736s) started
T01 << 1462339917.62865496 DistributedAtomicCorrection (289.22238s) stopped
T01 >> 1462339917.62871790 Distribute overlap matrix (246.24581s) started
T01 >> 1462339917.62873912 blocked summation (233.54964s) started
T01 << 1462339918.72027397 blocked summation (234.64118s) stopped
T01 >> 1462339918.72247696 Scalapack redistribute (12.40436s) started
T01 << 1462339918.78046298 Scalapack redistribute (12.46234s) stopped
T01 << 1462339918.78053093 Distribute overlap matrix (247.39762s) stopped
T01 >> 1462339918.78113508 Blacs Orbital Layouts (587.72327s) started
T01 >> 1462339918.78249192 General diagonalize (576.24456s) started
T01 << 1462339921.48616195 General diagonalize (578.94823s) stopped
T01 >> 1462339921.48621511 Redistribute coefs (0.60315s) started
T01 << 1462339921.48836899 Redistribute coefs (0.60530s) stopped
T01 >> 1462339921.48841000 Send coefs to domains (10.57705s) started
T01 << 1462339921.54065609 Send coefs to domains (10.62930s) stopped
T01 << 1462339921.54097104 Blacs Orbital Layouts (590.48311s) stopped
T01 >> 1462339921.54101706 Calculate projections (546.61784s) started
T01 << 1462339924.02026296 Calculate projections (549.09709s) stopped
T01 << 1462339924.02067900 LCAO eigensolver (1731.31879s) stopped
T01 >> 1462339924.02133894 Density (421.50050s) started
T01 >> 1462339924.02135110 Pseudo density (347.74747s) started
T01 >> 1462339924.02173090 Calculate density matrix (312.64145s) started
T01 << 1462339925.61787009 Calculate density matrix (314.23759s) stopped
T01 >> 1462339925.61797190 Construct density (34.61624s) started
T01 << 1462339925.78572893 Construct density (34.78400s) stopped
T01 >> 1462339925.78685808 Symmetrize density (0.00870s) started
T01 << 1462339925.78688908 Symmetrize density (0.00873s) stopped
T01 << 1462339925.78724098 Pseudo density (349.51336s) stopped
T01 >> 1462339925.78726006 Atomic density matrices (48.74478s) started
T01 << 1462339926.02371907 Atomic density matrices (48.98124s) stopped
T01 >> 1462339926.02375388 Multipole moments (0.76972s) started
T01 << 1462339926.02776003 Multipole moments (0.77373s) stopped
T01 >> 1462339926.02778292 Normalize (0.21124s) started
T01 << 1462339926.02881503 Normalize (0.21227s) stopped
T01 >> 1462339926.02884793 Mix (24.01414s) started
T01 << 1462339926.14115810 Mix (24.12645s) stopped
T01 << 1462339926.14123011 Density (423.62039s) stopped
T01 >> 1462339926.14131308 Hamiltonian (4808.09649s) started
T01 >> 1462339926.14132905 vbar (2.39416s) started
T01 << 1462339926.15561008 vbar (2.40845s) stopped
T01 >> 1462339926.15570903 XC 3D grid (2081.36481s) started
T01 >> 1462339926.34167600 van der Waals (2008.01014s) started
T01 >> 1462339926.38315701 semilocal (459.43606s) started
T01 << 1462339928.61429310 semilocal (461.66719s) stopped
T01 >> 1462339928.64470196 redistribute (230.03930s) started
T01 << 1462339929.01755810 redistribute (230.41216s) stopped
T01 >> 1462339929.01762104 libvdwxc nonlocal (1303.32353s) started
T01 << 1462339935.40242004 libvdwxc nonlocal (1309.70833s) stopped
T01 >> 1462339935.40250301 redistribute (230.41218s) started
T01 << 1462339936.18485808 redistribute (231.19454s) stopped
T01 << 1462339936.18622899 van der Waals (2017.85470s) stopped
T01 << 1462339936.36734200 XC 3D grid (2091.57645s) stopped
T01 >> 1462339936.36739707 Poisson (449.44548s) started
T01 << 1462339938.71957898 Poisson (451.79766s) stopped
T01 >> 1462339938.71968293 Hartree integrate/restrict (16.37813s) started
T01 << 1462339938.73448992 Hartree integrate/restrict (16.39294s) stopped
T01 >> 1462339938.73458791 Hartree integrate/restrict (16.39301s) started
T01 << 1462339938.80063891 Hartree integrate/restrict (16.45906s) stopped
T01 >> 1462339938.81812692 Atomic (1285.87282s) started
T01 >> 1462339938.82842898 XC Correction (1283.29109s) started
T01 << 1462339945.12663198 XC Correction (1289.58929s) stopped
T01 << 1462339945.12962794 Atomic (1292.18432s) stopped
T01 >> 1462339945.12975001 Communicate (968.04015s) started
T01 << 1462339949.69060111 Communicate (972.60100s) stopped
T01 << 1462339949.69063091 Hamiltonian (4831.64581s) stopped
T01 >> 1462339949.69070005 LCAO eigensolver (1731.31881s) started
T01 >> 1462339949.69071388 Potential matrix (54.93951s) started
T01 << 1462339949.94440889 Potential matrix (55.19320s) stopped
T01 >> 1462339949.94446993 DistributedAtomicCorrection (289.22241s) started
T01 << 1462339951.25994205 DistributedAtomicCorrection (290.53789s) stopped
T01 >> 1462339951.26000094 Distribute overlap matrix (247.39763s) started
T01 >> 1462339951.26002097 blocked summation (234.64121s) started
T01 << 1462339952.33485198 blocked summation (235.71604s) stopped
T01 >> 1462339952.33654404 Scalapack redistribute (12.46237s) started
T01 << 1462339952.39514589 Scalapack redistribute (12.52097s) stopped
T01 << 1462339952.39521909 Distribute overlap matrix (248.53285s) stopped
T01 >> 1462339952.39580488 Blacs Orbital Layouts (590.48312s) started
T01 >> 1462339952.39796591 General diagonalize (578.94826s) started
T01 << 1462339955.08405495 General diagonalize (581.63435s) stopped
T01 >> 1462339955.08410811 Redistribute coefs (0.60533s) started
T01 << 1462339955.08594298 Redistribute coefs (0.60717s) stopped
T01 >> 1462339955.08609200 Send coefs to domains (10.62936s) started
T01 << 1462339955.13997293 Send coefs to domains (10.68324s) stopped
T01 << 1462339955.14048290 Blacs Orbital Layouts (593.22780s) stopped
T01 >> 1462339955.14053392 Calculate projections (549.09713s) started
T01 << 1462339957.62091994 Calculate projections (551.57752s) stopped
T01 << 1462339957.62117290 LCAO eigensolver (1739.24928s) stopped
T01 >> 1462339957.62182808 Density (423.62040s) started
T01 >> 1462339957.62184000 Pseudo density (349.51338s) started
T01 >> 1462339957.62219095 Calculate density matrix (314.23765s) started
T01 << 1462339959.21300411 Calculate density matrix (315.82846s) stopped
T01 >> 1462339959.21310306 Construct density (34.78403s) started
T01 << 1462339959.38070798 Construct density (34.95163s) stopped
T01 >> 1462339959.38180399 Symmetrize density (0.00874s) started
T01 << 1462339959.38183403 Symmetrize density (0.00877s) stopped
T01 << 1462339959.38218594 Pseudo density (351.27372s) stopped
T01 >> 1462339959.38220596 Atomic density matrices (48.98126s) started
T01 << 1462339959.61909294 Atomic density matrices (49.21815s) stopped
T01 >> 1462339959.61912608 Multipole moments (0.77374s) started
T01 << 1462339959.62320399 Multipole moments (0.77782s) stopped
T01 >> 1462339959.62322593 Normalize (0.21229s) started
T01 << 1462339959.62424588 Normalize (0.21331s) stopped
T01 >> 1462339959.62428308 Mix (24.12652s) started
T01 << 1462339959.73834705 Mix (24.24059s) stopped
T01 << 1462339959.73842812 Density (425.73700s) stopped
T01 >> 1462339959.73852897 Hamiltonian (4831.64582s) started
T01 >> 1462339959.73854709 vbar (2.40850s) started
T01 << 1462339959.75265503 vbar (2.42261s) stopped
T01 >> 1462339959.75273991 XC 3D grid (2091.57649s) started
T01 >> 1462339959.94204092 van der Waals (2017.85474s) started
T01 >> 1462339959.98230195 semilocal (461.66726s) started
T01 << 1462339962.20312810 semilocal (463.88808s) stopped
T01 >> 1462339962.23345494 redistribute (231.19457s) started
T01 << 1462339962.62957001 redistribute (231.59069s) stopped
T01 >> 1462339962.62963390 libvdwxc nonlocal (1309.70838s) started
T01 << 1462339969.06265211 libvdwxc nonlocal (1316.14140s) stopped
T01 >> 1462339969.06273103 redistribute (231.59072s) started
T01 << 1462339969.84940195 redistribute (232.37739s) stopped
T01 << 1462339969.85063004 van der Waals (2027.76333s) stopped
T01 << 1462339970.03288603 XC 3D grid (2101.85664s) stopped
T01 >> 1462339970.03292608 Poisson (451.79775s) started
T01 << 1462339972.38045192 Poisson (454.14527s) stopped
T01 >> 1462339972.38053489 Hartree integrate/restrict (16.45908s) started
T01 << 1462339972.39514589 Hartree integrate/restrict (16.47369s) stopped
T01 >> 1462339972.39519191 Hartree integrate/restrict (16.47372s) started
T01 << 1462339972.46151304 Hartree integrate/restrict (16.54004s) stopped
T01 >> 1462339972.47765303 Atomic (1292.18434s) started
T01 >> 1462339972.48797989 XC Correction (1289.58931s) started
T01 << 1462339978.93605590 XC Correction (1296.03739s) stopped
T01 << 1462339978.93908310 Atomic (1298.64577s) stopped
T01 >> 1462339978.93919897 Communicate (972.60102s) started
T01 << 1462339983.40662503 Communicate (977.06845s) stopped
T01 << 1462339983.40664911 Hamiltonian (4855.31394s) stopped
T01 >> 1462339983.40670991 LCAO eigensolver (1739.24930s) started
T01 >> 1462339983.40672398 Potential matrix (55.19323s) started
T01 << 1462339983.66137600 Potential matrix (55.44789s) stopped
T01 >> 1462339983.66143703 DistributedAtomicCorrection (290.53792s) started
T01 << 1462339984.97863197 DistributedAtomicCorrection (291.85511s) stopped
T01 >> 1462339984.97869205 Distribute overlap matrix (248.53286s) started
T01 >> 1462339984.97871304 blocked summation (235.71607s) started
T01 << 1462339986.05901504 blocked summation (236.79637s) stopped
T01 >> 1462339986.06054902 Scalapack redistribute (12.52100s) started
T01 << 1462339986.12094212 Scalapack redistribute (12.58139s) stopped
T01 << 1462339986.12101293 Distribute overlap matrix (249.67518s) stopped
T01 >> 1462339986.12162209 Blacs Orbital Layouts (593.22782s) started
T01 >> 1462339986.12297606 General diagonalize (581.63438s) started
T01 << 1462339988.80823898 General diagonalize (584.31964s) stopped
T01 >> 1462339988.80829191 Redistribute coefs (0.60725s) started
T01 << 1462339988.81002498 Redistribute coefs (0.60899s) stopped
T01 >> 1462339988.81010890 Send coefs to domains (10.68329s) started
T01 << 1462339988.86361289 Send coefs to domains (10.73680s) stopped
T01 << 1462339988.86394310 Blacs Orbital Layouts (595.97014s) stopped
T01 >> 1462339988.86399007 Calculate projections (551.57756s) started
T01 << 1462339991.34328794 Calculate projections (554.05686s) stopped
T01 << 1462339991.34353709 LCAO eigensolver (1747.18612s) stopped
T01 >> 1462339991.34417892 Density (425.73702s) started
T01 >> 1462339991.34419107 Pseudo density (351.27374s) started
T01 >> 1462339991.34454203 Calculate density matrix (315.82852s) started
T01 << 1462339992.93982911 Calculate density matrix (317.42381s) stopped
T01 >> 1462339992.93992400 Construct density (34.95166s) started
T01 << 1462339993.10751200 Construct density (35.11925s) stopped
T01 >> 1462339993.10862803 Symmetrize density (0.00878s) started
T01 << 1462339993.10865903 Symmetrize density (0.00881s) stopped
T01 << 1462339993.10901594 Pseudo density (353.03856s) stopped
T01 >> 1462339993.10903502 Atomic density matrices (49.21817s) started
T01 << 1462339993.34596896 Atomic density matrices (49.45510s) stopped
T01 >> 1462339993.34600306 Multipole moments (0.77784s) started
T01 << 1462339993.35004306 Multipole moments (0.78188s) stopped
T01 >> 1462339993.35006499 Normalize (0.21334s) started
T01 << 1462339993.35109901 Normalize (0.21437s) stopped
T01 >> 1462339993.35113192 Mix (24.24066s) started
T01 << 1462339993.46364999 Mix (24.35318s) stopped
T01 << 1462339993.46369100 Density (427.85653s) stopped
T01 >> 1462339993.46378398 Hamiltonian (4855.31396s) started
T01 >> 1462339993.46380305 vbar (2.42266s) started
T01 << 1462339993.47802591 vbar (2.43688s) stopped
T01 >> 1462339993.47808695 XC 3D grid (2101.85667s) started
T01 >> 1462339993.65720510 van der Waals (2027.76336s) started
T01 >> 1462339993.69847393 semilocal (463.88815s) started
T01 << 1462339995.91211796 semilocal (466.10180s) stopped
T01 >> 1462339995.94407201 redistribute (232.37742s) started
T01 << 1462339996.33258390 redistribute (232.76593s) stopped
T01 >> 1462339996.33264709 libvdwxc nonlocal (1316.14145s) started
T01 << 1462340002.76522589 libvdwxc nonlocal (1322.57403s) stopped
T01 >> 1462340002.76530290 redistribute (232.76596s) started
T01 << 1462340003.55134296 redistribute (233.55201s) stopped
T01 << 1462340003.55279589 van der Waals (2037.65895s) stopped
T01 << 1462340003.73235893 XC 3D grid (2112.11094s) stopped
T01 >> 1462340003.73239589 Poisson (454.14534s) started
T01 << 1462340006.08307099 Poisson (456.49602s) stopped
T01 >> 1462340006.08313107 Hartree integrate/restrict (16.54007s) started
T01 << 1462340006.09790611 Hartree integrate/restrict (16.55485s) stopped
T01 >> 1462340006.09796691 Hartree integrate/restrict (16.55489s) started
T01 << 1462340006.16376495 Hartree integrate/restrict (16.62069s) stopped
T01 >> 1462340006.18691111 Atomic (1298.64579s) started
T01 >> 1462340006.19728589 XC Correction (1296.03741s) started
T01 << 1462340012.47613311 XC Correction (1302.31626s) stopped
T01 << 1462340012.47914696 Atomic (1304.93802s) stopped
T01 >> 1462340012.47926593 Communicate (977.06846s) started
T01 << 1462340017.03531790 Communicate (981.62452s) stopped
T01 << 1462340017.03534389 Hamiltonian (4878.88552s) stopped
T01 >> 1462340017.03540707 LCAO eigensolver (1747.18614s) started
T01 >> 1462340017.03542089 Potential matrix (55.44792s) started
T01 << 1462340017.29061389 Potential matrix (55.70311s) stopped
T01 >> 1462340017.29067993 DistributedAtomicCorrection (291.85514s) started
T01 << 1462340018.61365104 DistributedAtomicCorrection (293.17811s) stopped
T01 >> 1462340018.61371207 Distribute overlap matrix (249.67519s) started
T01 >> 1462340018.61373305 blocked summation (236.79640s) started
T01 << 1462340019.70700693 blocked summation (237.88967s) stopped
T01 >> 1462340019.70777512 Scalapack redistribute (12.58143s) started
T01 << 1462340019.76898193 Scalapack redistribute (12.64263s) stopped
T01 << 1462340019.76904988 Distribute overlap matrix (250.83053s) stopped
T01 >> 1462340019.76961207 Blacs Orbital Layouts (595.97016s) started
T01 >> 1462340019.77176595 General diagonalize (584.31967s) started
T01 << 1462340022.47068810 General diagonalize (587.01859s) stopped
T01 >> 1462340022.47074103 Redistribute coefs (0.60902s) started
T01 << 1462340022.47301412 Redistribute coefs (0.61129s) stopped
T01 >> 1462340022.47305489 Send coefs to domains (10.73686s) started
T01 << 1462340022.52730393 Send coefs to domains (10.79111s) stopped
T01 << 1462340022.52781200 Blacs Orbital Layouts (598.72836s) stopped
T01 >> 1462340022.52785993 Calculate projections (554.05690s) started
T01 << 1462340025.00688910 Calculate projections (556.53593s) stopped
T01 << 1462340025.00694990 LCAO eigensolver (1755.15768s) stopped
T01 >> 1462340025.00763607 Density (427.85654s) started
T01 >> 1462340025.00764894 Pseudo density (353.03858s) started
T01 >> 1462340025.00800395 Calculate density matrix (317.42386s) started
T01 << 1462340026.61247611 Calculate density matrix (319.02833s) stopped
T01 >> 1462340026.61257291 Construct density (35.11928s) started
T01 << 1462340026.78030396 Construct density (35.28702s) stopped
T01 >> 1462340026.78143907 Symmetrize density (0.00882s) started
T01 << 1462340026.78146696 Symmetrize density (0.00885s) stopped
T01 << 1462340026.78184700 Pseudo density (354.81277s) stopped
T01 >> 1462340026.78186703 Atomic density matrices (49.45513s) started
T01 << 1462340027.01913905 Atomic density matrices (49.69240s) stopped
T01 >> 1462340027.01917410 Multipole moments (0.78189s) started
T01 << 1462340027.02322292 Multipole moments (0.78594s) stopped
T01 >> 1462340027.02324510 Normalize (0.21440s) started
T01 << 1462340027.02426004 Normalize (0.21541s) stopped
T01 >> 1462340027.02430105 Mix (24.35322s) started
T01 << 1462340027.13762212 Mix (24.46654s) stopped
T01 << 1462340027.13768291 Density (429.98659s) stopped
T01 >> 1462340027.13776302 Hamiltonian (4878.88553s) started
T01 >> 1462340027.13777995 vbar (2.43691s) started
T01 << 1462340027.15199399 vbar (2.45113s) stopped
T01 >> 1462340027.15205503 XC 3D grid (2112.11097s) started
T01 >> 1462340027.33075595 van der Waals (2037.65899s) started
T01 >> 1462340027.37288594 semilocal (466.10190s) started
T01 << 1462340029.57464910 semilocal (468.30366s) stopped
T01 >> 1462340029.60719395 redistribute (233.55204s) started
T01 << 1462340030.00692511 redistribute (233.95177s) stopped
T01 >> 1462340030.00698709 libvdwxc nonlocal (1322.57408s) started
T01 << 1462340036.42200494 libvdwxc nonlocal (1328.98909s) stopped
T01 >> 1462340036.42207599 redistribute (233.95180s) started
T01 << 1462340037.21116805 redistribute (234.74089s) stopped
T01 << 1462340037.21281099 van der Waals (2047.54105s) stopped
T01 << 1462340037.39467311 XC 3D grid (2122.35359s) stopped
T01 >> 1462340037.39473104 Poisson (456.49606s) started
T01 << 1462340039.16524792 Poisson (458.26657s) stopped
T01 >> 1462340039.16534710 Hartree integrate/restrict (16.62073s) started
T01 << 1462340039.18011999 Hartree integrate/restrict (16.63550s) stopped
T01 >> 1462340039.18025088 Hartree integrate/restrict (16.63560s) started
T01 << 1462340039.24629307 Hartree integrate/restrict (16.70164s) stopped
T01 >> 1462340039.26943207 Atomic (1304.93804s) started
T01 >> 1462340039.27968407 XC Correction (1302.31628s) started
T01 << 1462340045.53263903 XC Correction (1308.56923s) stopped
T01 << 1462340045.53565598 Atomic (1311.20426s) stopped
T01 >> 1462340045.53577495 Communicate (981.62453s) started
T01 << 1462340050.15392709 Communicate (986.24269s) stopped
T01 << 1462340050.15397000 Hamiltonian (4901.90173s) stopped
T01 >> 1462340050.15408301 LCAO eigensolver (1755.15770s) started
T01 >> 1462340050.15409708 Potential matrix (55.70315s) started
T01 << 1462340050.40988207 Potential matrix (55.95893s) stopped
T01 >> 1462340050.40994596 DistributedAtomicCorrection (293.17814s) started
T01 << 1462340051.71973109 DistributedAtomicCorrection (294.48793s) stopped
T01 >> 1462340051.71979094 Distribute overlap matrix (250.83054s) started
T01 >> 1462340051.71981192 blocked summation (237.88971s) started
T01 << 1462340052.83458090 blocked summation (239.00448s) stopped
T01 >> 1462340052.83617401 Scalapack redistribute (12.64266s) started
T01 << 1462340052.89599490 Scalapack redistribute (12.70248s) stopped
T01 << 1462340052.89606500 Distribute overlap matrix (252.00682s) stopped
T01 >> 1462340052.89665604 Blacs Orbital Layouts (598.72838s) started
T01 >> 1462340052.89799809 General diagonalize (587.01863s) started
T01 << 1462340055.61537290 General diagonalize (589.73600s) stopped
T01 >> 1462340055.61542606 Redistribute coefs (0.61133s) started
T01 << 1462340055.61841393 Redistribute coefs (0.61431s) stopped
T01 >> 1462340055.61845112 Send coefs to domains (10.79117s) started
T01 << 1462340055.67078495 Send coefs to domains (10.84350s) stopped
T01 << 1462340055.67110300 Blacs Orbital Layouts (601.50282s) stopped
T01 >> 1462340055.67115808 Calculate projections (556.53597s) started
T01 << 1462340058.15172911 Calculate projections (559.01654s) stopped
T01 << 1462340058.15198588 LCAO eigensolver (1763.15560s) stopped
T01 >> 1462340058.15264201 Density (429.98660s) started
T01 >> 1462340058.15265393 Pseudo density (354.81279s) started
T01 >> 1462340058.15300107 Calculate density matrix (319.02839s) started
T01 << 1462340059.74981093 Calculate density matrix (320.62520s) stopped
T01 >> 1462340059.74991107 Construct density (35.28705s) started
T01 << 1462340059.91752005 Construct density (35.45466s) stopped
T01 >> 1462340059.91865897 Symmetrize density (0.00886s) started
T01 << 1462340059.91868806 Symmetrize density (0.00889s) stopped
T01 << 1462340059.91904306 Pseudo density (356.57918s) stopped
T01 >> 1462340059.91906309 Atomic density matrices (49.69242s) started
T01 << 1462340060.15652800 Atomic density matrices (49.92989s) stopped
T01 >> 1462340060.15656209 Multipole moments (0.78596s) started
T01 << 1462340060.16062093 Multipole moments (0.79001s) stopped
T01 >> 1462340060.16064405 Normalize (0.21544s) started
T01 << 1462340060.16166711 Normalize (0.21647s) stopped
T01 >> 1462340060.16169906 Mix (24.46660s) started
T01 << 1462340060.27505112 Mix (24.57995s) stopped
T01 << 1462340060.27509189 Density (432.10905s) stopped
T01 >> 1462340060.27518010 Hamiltonian (4901.90175s) started
T01 >> 1462340060.27519894 vbar (2.45116s) started
T01 << 1462340060.28932810 vbar (2.46529s) stopped
T01 >> 1462340060.28938794 XC 3D grid (2122.35364s) started
T01 >> 1462340060.47155309 van der Waals (2047.54114s) started
T01 >> 1462340060.51322794 semilocal (468.30378s) started
T01 << 1462340062.74458289 semilocal (470.53513s) stopped
T01 >> 1462340062.77441001 redistribute (234.74093s) started
T01 << 1462340063.14566207 redistribute (235.11218s) stopped
T01 >> 1462340063.14572310 libvdwxc nonlocal (1328.98914s) started
T01 << 1462340069.56302810 libvdwxc nonlocal (1335.40644s) stopped
T01 >> 1462340069.56311107 redistribute (235.11221s) started
T01 << 1462340070.35092902 redistribute (235.90003s) stopped
T01 << 1462340070.35204601 van der Waals (2057.42164s) stopped
T01 << 1462340070.53231311 XC 3D grid (2132.59656s) stopped
T01 >> 1462340070.53235292 Poisson (458.26665s) started
T01 << 1462340072.30365109 Poisson (460.03795s) stopped
T01 >> 1462340072.30371308 Hartree integrate/restrict (16.70167s) started
T01 << 1462340072.31840992 Hartree integrate/restrict (16.71636s) stopped
T01 >> 1462340072.31847191 Hartree integrate/restrict (16.71640s) started
T01 << 1462340072.38505292 Hartree integrate/restrict (16.78299s) stopped
T01 >> 1462340072.40526605 Atomic (1311.20428s) started
T01 >> 1462340072.41543889 XC Correction (1308.56925s) started
T01 << 1462340078.70092010 XC Correction (1314.85473s) stopped
T01 << 1462340078.70390892 Atomic (1317.50292s) stopped
T01 >> 1462340078.70402503 Communicate (986.24272s) started
T01 << 1462340083.32927489 Communicate (990.86797s) stopped
T01 << 1462340083.32930994 Hamiltonian (4924.95588s) stopped
T01 >> 1462340083.32942295 LCAO eigensolver (1763.15562s) started
T01 >> 1462340083.32943702 Potential matrix (55.95897s) started
T01 << 1462340083.58297396 Potential matrix (56.21250s) stopped
T01 >> 1462340083.58303809 DistributedAtomicCorrection (294.48796s) started
T01 << 1462340084.89445496 DistributedAtomicCorrection (295.79938s) stopped
T01 >> 1462340084.89451599 Distribute overlap matrix (252.00683s) started
T01 >> 1462340084.89453697 blocked summation (239.00451s) started
T01 << 1462340086.01296401 blocked summation (240.12293s) stopped
T01 >> 1462340086.01456189 Scalapack redistribute (12.70251s) started
T01 << 1462340086.07404494 Scalapack redistribute (12.76200s) stopped
T01 << 1462340086.07411504 Distribute overlap matrix (253.18643s) stopped
T01 >> 1462340086.07472706 Blacs Orbital Layouts (601.50284s) started
T01 >> 1462340086.07609391 General diagonalize (589.73603s) started
T01 << 1462340088.77391791 General diagonalize (592.43386s) stopped
T01 >> 1462340088.77397203 Redistribute coefs (0.61434s) started
T01 << 1462340088.77682209 Redistribute coefs (0.61719s) stopped
T01 >> 1462340088.77686095 Send coefs to domains (10.84356s) started
T01 << 1462340088.82970905 Send coefs to domains (10.89641s) stopped
T01 << 1462340088.83003998 Blacs Orbital Layouts (604.25815s) stopped
T01 >> 1462340088.83008790 Calculate projections (559.01659s) started
T01 << 1462340091.30942392 Calculate projections (561.49593s) stopped
T01 << 1462340091.30968094 LCAO eigensolver (1771.13587s) stopped
T01 >> 1462340091.31032991 Density (432.10906s) started
T01 >> 1462340091.31034207 Pseudo density (356.57919s) started
T01 >> 1462340091.31069303 Calculate density matrix (320.62526s) started
T01 << 1462340092.91366196 Calculate density matrix (322.22823s) stopped
T01 >> 1462340092.91375589 Construct density (35.45469s) started
T01 << 1462340093.08131003 Construct density (35.62225s) stopped
T01 >> 1462340093.08243704 Symmetrize density (0.00890s) started
T01 << 1462340093.08246708 Symmetrize density (0.00893s) stopped
T01 << 1462340093.08282995 Pseudo density (358.35168s) stopped
T01 >> 1462340093.08284998 Atomic density matrices (49.92991s) started
T01 << 1462340093.31987000 Atomic density matrices (50.16693s) stopped
T01 >> 1462340093.31990409 Multipole moments (0.79003s) started
T01 << 1462340093.32397294 Multipole moments (0.79410s) stopped
T01 >> 1462340093.32399511 Normalize (0.21649s) started
T01 << 1462340093.32500601 Normalize (0.21750s) stopped
T01 >> 1462340093.32504296 Mix (24.57999s) started
T01 << 1462340093.43811488 Mix (24.69306s) stopped
T01 << 1462340093.43816090 Density (434.23690s) stopped
T01 >> 1462340093.43825102 Hamiltonian (4924.95589s) started
T01 >> 1462340093.43827105 vbar (2.46532s) started
T01 << 1462340093.45249391 vbar (2.47954s) stopped
T01 >> 1462340093.45256090 XC 3D grid (2132.59659s) started
T01 >> 1462340093.63364410 van der Waals (2057.42168s) started
T01 >> 1462340093.67511106 semilocal (470.53518s) started
T01 << 1462340095.88599110 semilocal (472.74606s) stopped
T01 >> 1462340095.91742110 redistribute (235.90006s) started
T01 << 1462340096.32487202 redistribute (236.30751s) stopped
T01 >> 1462340096.32493091 libvdwxc nonlocal (1335.40650s) started
T01 << 1462340102.75950503 libvdwxc nonlocal (1341.84107s) stopped
T01 >> 1462340102.75958109 redistribute (236.30755s) started
T01 << 1462340103.54820895 redistribute (237.09617s) stopped
T01 << 1462340103.54970288 van der Waals (2067.33774s) stopped
T01 << 1462340103.73271990 XC 3D grid (2142.87675s) stopped
T01 >> 1462340103.73277211 Poisson (460.03800s) started
T01 << 1462340105.51092601 Poisson (461.81615s) stopped
T01 >> 1462340105.51100492 Hartree integrate/restrict (16.78301s) started
T01 << 1462340105.52564692 Hartree integrate/restrict (16.79765s) stopped
T01 >> 1462340105.52572489 Hartree integrate/restrict (16.79771s) started
T01 << 1462340105.59164500 Hartree integrate/restrict (16.86363s) stopped
T01 >> 1462340105.61236906 Atomic (1317.50294s) started
T01 >> 1462340105.62259293 XC Correction (1314.85475s) started
T01 << 1462340111.93436098 XC Correction (1321.16652s) stopped
T01 << 1462340111.93741107 Atomic (1323.82798s) stopped
T01 >> 1462340111.93753099 Communicate (990.86799s) started
T01 << 1462340116.50953388 Communicate (995.43999s) stopped
T01 << 1462340116.50958896 Hamiltonian (4948.02723s) stopped
T01 >> 1462340116.50970411 LCAO eigensolver (1771.13589s) started
T01 >> 1462340116.50971889 Potential matrix (56.21254s) started
T01 << 1462340116.76431298 Potential matrix (56.46713s) stopped
T01 >> 1462340116.76437497 DistributedAtomicCorrection (295.79941s) started
T01 << 1462340118.07280803 DistributedAtomicCorrection (297.10784s) stopped
T01 >> 1462340118.07286906 Distribute overlap matrix (253.18644s) started
T01 >> 1462340118.07289100 blocked summation (240.12296s) started
T01 << 1462340119.18763709 blocked summation (241.23771s) stopped
T01 >> 1462340119.18936992 Scalapack redistribute (12.76203s) started
T01 << 1462340119.24805903 Scalapack redistribute (12.82072s) stopped
T01 << 1462340119.24813104 Distribute overlap matrix (254.36170s) stopped
T01 >> 1462340119.24872589 Blacs Orbital Layouts (604.25817s) started
T01 >> 1462340119.25088501 General diagonalize (592.43389s) started
T01 << 1462340121.95738602 General diagonalize (595.14039s) stopped
T01 >> 1462340121.95743895 Redistribute coefs (0.61722s) started
T01 << 1462340121.95967793 Redistribute coefs (0.61946s) stopped
T01 >> 1462340121.95971799 Send coefs to domains (10.89647s) started
T01 << 1462340122.01281404 Send coefs to domains (10.94956s) stopped
T01 << 1462340122.01331997 Blacs Orbital Layouts (607.02276s) stopped
T01 >> 1462340122.01336598 Calculate projections (561.49597s) started
T01 << 1462340124.49229002 Calculate projections (563.97490s) stopped
T01 << 1462340124.49254394 LCAO eigensolver (1779.11873s) stopped
T01 >> 1462340124.49321008 Density (434.23691s) started
T01 >> 1462340124.49322200 Pseudo density (358.35170s) started
T01 >> 1462340124.49357295 Calculate density matrix (322.22828s) started
T01 << 1462340126.09306312 Calculate density matrix (323.82777s) stopped
T01 >> 1462340126.09316111 Construct density (35.62228s) started
T01 << 1462340126.26072693 Construct density (35.78985s) stopped
T01 >> 1462340126.26186395 Symmetrize density (0.00894s) started
T01 << 1462340126.26189208 Symmetrize density (0.00897s) stopped
T01 << 1462340126.26226592 Pseudo density (360.12074s) stopped
T01 >> 1462340126.26228595 Atomic density matrices (50.16695s) started
T01 << 1462340126.49917889 Atomic density matrices (50.40385s) stopped
T01 >> 1462340126.49921203 Multipole moments (0.79412s) started
T01 << 1462340126.50320792 Multipole moments (0.79811s) stopped
T01 >> 1462340126.50323009 Normalize (0.21753s) started
T01 << 1462340126.50425506 Normalize (0.21855s) stopped
T01 >> 1462340126.50428700 Mix (24.69311s) started
T01 << 1462340126.61660695 Mix (24.80543s) stopped
T01 << 1462340126.61664891 Density (436.36035s) stopped
T01 >> 1462340126.61672592 Hamiltonian (4948.02724s) started
T01 >> 1462340126.61674309 vbar (2.47958s) started
T01 << 1462340126.63097191 vbar (2.49381s) stopped
T01 >> 1462340126.63103390 XC 3D grid (2142.87679s) started
T01 >> 1462340126.80908704 van der Waals (2067.33780s) started
T01 >> 1462340126.85107994 semilocal (472.74615s) started
T01 << 1462340129.06079197 semilocal (474.95586s) stopped
T01 >> 1462340129.09270310 redistribute (237.09621s) started
T01 << 1462340129.47805190 redistribute (237.48156s) stopped
T01 >> 1462340129.47811294 libvdwxc nonlocal (1341.84112s) started
T01 << 1462340135.89931893 libvdwxc nonlocal (1348.26232s) stopped
T01 >> 1462340135.89938688 redistribute (237.48160s) started
T01 << 1462340136.68705797 redistribute (238.26927s) stopped
T01 << 1462340136.68851709 van der Waals (2077.21723s) stopped
T01 << 1462340136.86859608 XC 3D grid (2153.11435s) stopped
T01 >> 1462340136.86865306 Poisson (461.81621s) started
T01 << 1462340138.64024901 Poisson (463.58781s) stopped
T01 >> 1462340138.64034390 Hartree integrate/restrict (16.86365s) started
T01 << 1462340138.65516400 Hartree integrate/restrict (16.87847s) stopped
T01 >> 1462340138.65526509 Hartree integrate/restrict (16.87855s) started
T01 << 1462340138.72160602 Hartree integrate/restrict (16.94489s) stopped
T01 >> 1462340138.74028993 Atomic (1323.82800s) started
T01 >> 1462340138.75055599 XC Correction (1321.16655s) started
T01 << 1462340145.07288694 XC Correction (1327.48888s) stopped
T01 << 1462340145.07591510 Atomic (1330.16362s) stopped
T01 >> 1462340145.07603312 Communicate (995.44004s) started
T01 << 1462340149.63962889 Communicate (1000.00363s) stopped
T01 << 1462340149.63965607 Hamiltonian (4971.05017s) stopped
T01 >> 1462340149.63971996 LCAO eigensolver (1779.11875s) started
T01 >> 1462340149.63973308 Potential matrix (56.46717s) started
T01 << 1462340149.89250398 Potential matrix (56.71994s) stopped
T01 >> 1462340149.89256597 DistributedAtomicCorrection (297.10787s) started
T01 << 1462340151.20269394 DistributedAtomicCorrection (298.41800s) stopped
T01 >> 1462340151.20275402 Distribute overlap matrix (254.36171s) started
T01 >> 1462340151.20277500 blocked summation (241.23774s) started
T01 << 1462340152.30243492 blocked summation (242.33740s) stopped
T01 >> 1462340152.30402088 Scalapack redistribute (12.82075s) started
T01 << 1462340152.36451006 Scalapack redistribute (12.88124s) stopped
T01 << 1462340152.36458206 Distribute overlap matrix (255.52354s) stopped
T01 >> 1462340152.36518097 Blacs Orbital Layouts (607.02278s) started
T01 >> 1462340152.36652708 General diagonalize (595.14042s) started
T01 << 1462340155.07049608 General diagonalize (597.84439s) stopped
T01 >> 1462340155.07054901 Redistribute coefs (0.61949s) started
T01 << 1462340155.07244897 Redistribute coefs (0.62139s) stopped
T01 >> 1462340155.07254004 Send coefs to domains (10.94962s) started
T01 << 1462340155.12666297 Send coefs to domains (11.00375s) stopped
T01 << 1462340155.12699199 Blacs Orbital Layouts (609.78459s) stopped
T01 >> 1462340155.12703705 Calculate projections (563.97494s) started
T01 << 1462340157.60768890 Calculate projections (566.45559s) stopped
T01 << 1462340157.60794306 LCAO eigensolver (1787.08697s) stopped
T01 >> 1462340157.60859609 Density (436.36036s) started
T01 >> 1462340157.60860896 Pseudo density (360.12075s) started
T01 >> 1462340157.60895801 Calculate density matrix (323.82783s) started
T01 << 1462340159.19606304 Calculate density matrix (325.41493s) stopped
T01 >> 1462340159.19615889 Construct density (35.78988s) started
T01 << 1462340159.36375904 Construct density (35.95748s) stopped
T01 >> 1462340159.36487007 Symmetrize density (0.00898s) started
T01 << 1462340159.36490011 Symmetrize density (0.00901s) stopped
T01 << 1462340159.36525512 Pseudo density (361.87740s) stopped
T01 >> 1462340159.36527395 Atomic density matrices (50.40387s) started
T01 << 1462340159.60270000 Atomic density matrices (50.64129s) stopped
T01 >> 1462340159.60273409 Multipole moments (0.79813s) started
T01 << 1462340159.60676789 Multipole moments (0.80216s) stopped
T01 >> 1462340159.60679007 Normalize (0.21858s) started
T01 << 1462340159.60781503 Normalize (0.21960s) stopped
T01 >> 1462340159.60784698 Mix (24.80547s) started
T01 << 1462340159.72090697 Mix (24.91853s) stopped
T01 << 1462340159.72094607 Density (438.47271s) stopped
T01 >> 1462340159.72102499 Hamiltonian (4971.05018s) started
T01 >> 1462340159.72104311 vbar (2.49384s) started
T01 << 1462340159.73531103 vbar (2.50811s) stopped
T01 >> 1462340159.73536992 XC 3D grid (2153.11440s) started
T01 >> 1462340159.92351890 van der Waals (2077.21727s) started
T01 >> 1462340159.96422195 semilocal (474.95595s) started
T01 << 1462340162.19747090 semilocal (477.18920s) stopped
T01 >> 1462340162.22711611 redistribute (238.26930s) started
T01 << 1462340162.61526489 redistribute (238.65745s) stopped
T01 >> 1462340162.61532497 libvdwxc nonlocal (1348.26237s) started
T01 << 1462340169.03372407 libvdwxc nonlocal (1354.68077s) stopped
T01 >> 1462340169.03380609 redistribute (238.65748s) started
T01 << 1462340169.81974101 redistribute (239.44342s) stopped
T01 << 1462340169.82096505 van der Waals (2087.11472s) stopped
T01 << 1462340170.00449204 XC 3D grid (2163.38352s) stopped
T01 >> 1462340170.00453305 Poisson (463.58788s) started
T01 << 1462340171.77627611 Poisson (465.35963s) stopped
T01 >> 1462340171.77635598 Hartree integrate/restrict (16.94492s) started
T01 << 1462340171.79098105 Hartree integrate/restrict (16.95955s) stopped
T01 >> 1462340171.79106092 Hartree integrate/restrict (16.95960s) started
T01 << 1462340171.85776496 Hartree integrate/restrict (17.02631s) stopped
T01 >> 1462340171.88031292 Atomic (1330.16364s) started
T01 >> 1462340171.89057493 XC Correction (1327.48890s) started
T01 << 1462340178.19322300 XC Correction (1333.79155s) stopped
T01 << 1462340178.19624496 Atomic (1336.47957s) stopped
T01 >> 1462340178.19636607 Communicate (1000.00365s) started
T01 << 1462340182.71518707 Communicate (1004.52247s) stopped
T01 << 1462340182.71521091 Hamiltonian (4994.04437s) stopped
T01 >> 1462340182.71527410 LCAO eigensolver (1787.08699s) started
T01 >> 1462340182.71528697 Potential matrix (56.71997s) started
T01 << 1462340182.97018504 Potential matrix (56.97487s) stopped
T01 >> 1462340182.97024608 DistributedAtomicCorrection (298.41803s) started
T01 << 1462340184.28763700 DistributedAtomicCorrection (299.73542s) stopped
T01 >> 1462340184.28769708 Distribute overlap matrix (255.52355s) started
T01 >> 1462340184.28771901 blocked summation (242.33743s) started
T01 << 1462340185.38957500 blocked summation (243.43929s) stopped
T01 >> 1462340185.39117908 Scalapack redistribute (12.88127s) started
T01 << 1462340185.45026803 Scalapack redistribute (12.94036s) stopped
T01 << 1462340185.45033789 Distribute overlap matrix (256.68619s) stopped
T01 >> 1462340185.45093012 Blacs Orbital Layouts (609.78461s) started
T01 >> 1462340185.45229197 General diagonalize (597.84442s) started
T01 << 1462340188.13791394 General diagonalize (600.53004s) stopped
T01 >> 1462340188.13796711 Redistribute coefs (0.62144s) started
T01 << 1462340188.13971400 Redistribute coefs (0.62318s) stopped
T01 >> 1462340188.13979411 Send coefs to domains (11.00380s) started
T01 << 1462340188.19231796 Send coefs to domains (11.05633s) stopped
T01 << 1462340188.19265389 Blacs Orbital Layouts (612.52633s) stopped
T01 >> 1462340188.19270205 Calculate projections (566.45564s) started
T01 << 1462340190.67183805 Calculate projections (568.93477s) stopped
T01 << 1462340190.67209005 LCAO eigensolver (1795.04381s) stopped
T01 >> 1462340190.67273211 Density (438.47272s) started
T01 >> 1462340190.67274404 Pseudo density (361.87741s) started
T01 >> 1462340190.67309189 Calculate density matrix (325.41499s) started
T01 << 1462340192.26256490 Calculate density matrix (327.00446s) stopped
T01 >> 1462340192.26266789 Construct density (35.95751s) started
T01 << 1462340192.43017101 Construct density (36.12501s) stopped
T01 >> 1462340192.43128896 Symmetrize density (0.00903s) started
T01 << 1462340192.43131709 Symmetrize density (0.00905s) stopped
T01 << 1462340192.43168211 Pseudo density (363.63635s) stopped
T01 >> 1462340192.43170190 Atomic density matrices (50.64132s) started
T01 << 1462340192.67005897 Atomic density matrices (50.87967s) stopped
T01 >> 1462340192.67009306 Multipole moments (0.80218s) started
T01 << 1462340192.67417312 Multipole moments (0.80626s) stopped
T01 >> 1462340192.67419505 Normalize (0.21962s) started
T01 << 1462340192.67521405 Normalize (0.22064s) stopped
T01 >> 1462340192.67525291 Mix (24.91857s) started
T01 << 1462340192.78804207 Mix (25.03135s) stopped
T01 << 1462340192.78809094 Density (440.58808s) stopped
T01 >> 1462340192.78817797 Hamiltonian (4994.04438s) started
T01 >> 1462340192.78819609 vbar (2.50814s) started
T01 << 1462340192.80252910 vbar (2.52247s) stopped
T01 >> 1462340192.80259991 XC 3D grid (2163.38355s) started
T01 >> 1462340192.98745608 van der Waals (2087.11476s) started
T01 >> 1462340193.03037000 semilocal (477.18926s) started
T01 << 1462340195.26978803 semilocal (479.42868s) stopped
T01 >> 1462340195.30081105 redistribute (239.44346s) started
T01 << 1462340195.67856693 redistribute (239.82122s) stopped
T01 >> 1462340195.67863202 libvdwxc nonlocal (1354.68082s) started
T01 << 1462340202.13384008 libvdwxc nonlocal (1361.13603s) stopped
T01 >> 1462340202.13391900 redistribute (239.82125s) started
T01 << 1462340202.92150211 redistribute (240.60883s) stopped
T01 << 1462340202.92288208 van der Waals (2097.05019s) stopped
T01 << 1462340203.10544300 XC 3D grid (2173.68639s) stopped
T01 >> 1462340203.10548401 Poisson (465.35969s) started
T01 << 1462340204.29850698 Poisson (466.55271s) stopped
T01 >> 1462340204.29856801 Hartree integrate/restrict (17.02633s) started
T01 << 1462340204.31329703 Hartree integrate/restrict (17.04106s) stopped
T01 >> 1462340204.31337810 Hartree integrate/restrict (17.04112s) started
T01 << 1462340204.37937307 Hartree integrate/restrict (17.10711s) stopped
T01 >> 1462340204.40221691 Atomic (1336.47959s) started
T01 >> 1462340204.41246891 XC Correction (1333.79157s) started
T01 << 1462340210.74581695 XC Correction (1340.12492s) stopped
T01 << 1462340210.74881101 Atomic (1342.82618s) stopped
T01 >> 1462340210.74893188 Communicate (1004.52249s) started
T01 << 1462340215.54223490 Communicate (1009.31579s) stopped
T01 << 1462340215.54225802 Hamiltonian (5016.79846s) stopped
T01 >> 1462340215.54232001 LCAO eigensolver (1795.04383s) started
T01 >> 1462340215.54233289 Potential matrix (56.97490s) started
T01 << 1462340215.79674911 Potential matrix (57.22932s) stopped
T01 >> 1462340215.79681110 DistributedAtomicCorrection (299.73546s) started
T01 << 1462340217.12256408 DistributedAtomicCorrection (301.06121s) stopped
T01 >> 1462340217.12262702 Distribute overlap matrix (256.68620s) started
T01 >> 1462340217.12264800 blocked summation (243.43932s) started
T01 << 1462340218.19719505 blocked summation (244.51387s) stopped
T01 >> 1462340218.19798803 Scalapack redistribute (12.94039s) started
T01 << 1462340218.25858402 Scalapack redistribute (13.00098s) stopped
T01 << 1462340218.25865412 Distribute overlap matrix (257.82223s) stopped
T01 >> 1462340218.25922489 Blacs Orbital Layouts (612.52635s) started
T01 >> 1462340218.26056099 General diagonalize (600.53007s) started
T01 << 1462340220.98951793 General diagonalize (603.25903s) stopped
T01 >> 1462340220.98956990 Redistribute coefs (0.62322s) started
T01 << 1462340220.99245095 Redistribute coefs (0.62610s) stopped
T01 >> 1462340220.99248910 Send coefs to domains (11.05639s) started
T01 << 1462340221.04489899 Send coefs to domains (11.10880s) stopped
T01 << 1462340221.04521990 Blacs Orbital Layouts (615.31234s) stopped
T01 >> 1462340221.04526591 Calculate projections (568.93482s) started
T01 << 1462340223.52448893 Calculate projections (571.41404s) stopped
T01 << 1462340223.52455306 LCAO eigensolver (1803.02606s) stopped
T01 >> 1462340223.52524710 Density (440.58809s) started
T01 >> 1462340223.52525806 Pseudo density (363.63637s) started
T01 >> 1462340223.52560711 Calculate density matrix (327.00452s) started
T01 << 1462340225.12665796 Calculate density matrix (328.60557s) stopped
T01 >> 1462340225.12675095 Construct density (36.12505s) started
T01 << 1462340225.29431891 Construct density (36.29261s) stopped
T01 >> 1462340225.29545498 Symmetrize density (0.00906s) started
T01 << 1462340225.29548597 Symmetrize density (0.00909s) stopped
T01 << 1462340225.29585004 Pseudo density (365.40696s) stopped
T01 >> 1462340225.29587007 Atomic density matrices (50.87970s) started
T01 << 1462340225.53408003 Atomic density matrices (51.11791s) stopped
T01 >> 1462340225.53411293 Multipole moments (0.80627s) started
T01 << 1462340225.53814197 Multipole moments (0.81030s) stopped
T01 >> 1462340225.53816390 Normalize (0.22067s) started
T01 << 1462340225.53919101 Normalize (0.22170s) stopped
T01 >> 1462340225.53922296 Mix (25.03140s) started
T01 << 1462340225.65170288 Mix (25.14388s) stopped
T01 << 1462340225.65174198 Density (442.71459s) stopped
T01 >> 1462340225.65182495 Hamiltonian (5016.79847s) started
T01 >> 1462340225.65184212 vbar (2.52251s) started
T01 << 1462340225.66576600 vbar (2.53643s) stopped
T01 >> 1462340225.66583395 XC 3D grid (2173.68642s) started
T01 >> 1462340225.85169291 van der Waals (2097.05022s) started
T01 >> 1462340225.89357710 semilocal (479.42875s) started
T01 << 1462340228.12049294 semilocal (481.65566s) stopped
T01 >> 1462340228.15093303 redistribute (240.60886s) started
T01 << 1462340228.52535009 redistribute (240.98328s) stopped
T01 >> 1462340228.52542591 libvdwxc nonlocal (1361.13608s) started
T01 << 1462340234.94486094 libvdwxc nonlocal (1367.55551s) stopped
T01 >> 1462340234.94493890 redistribute (240.98333s) started
T01 << 1462340235.73997092 redistribute (241.77836s) stopped
T01 << 1462340235.74220490 van der Waals (2106.94073s) stopped
T01 << 1462340235.91254497 XC 3D grid (2183.93314s) stopped
T01 >> 1462340235.91260505 Poisson (466.55275s) started
T01 << 1462340237.68507791 Poisson (468.32523s) stopped
T01 >> 1462340237.68517900 Hartree integrate/restrict (17.10714s) started
T01 << 1462340237.69972110 Hartree integrate/restrict (17.12169s) stopped
T01 >> 1462340237.69986391 Hartree integrate/restrict (17.12179s) started
T01 << 1462340237.76648903 Hartree integrate/restrict (17.18841s) stopped
T01 >> 1462340237.78804111 Atomic (1342.82620s) started
T01 >> 1462340237.79831696 XC Correction (1340.12494s) started
T01 << 1462340244.12297511 XC Correction (1346.44960s) stopped
T01 << 1462340244.12597799 Atomic (1349.16414s) stopped
T01 >> 1462340244.12610006 Communicate (1009.31581s) started
T01 << 1462340248.84617209 Communicate (1014.03588s) stopped
T01 << 1462340248.84619808 Hamiltonian (5039.99284s) stopped
T01 >> 1462340248.84626007 LCAO eigensolver (1803.02607s) started
T01 >> 1462340248.84627390 Potential matrix (57.22935s) started
T01 << 1462340249.10115290 Potential matrix (57.48423s) stopped
T01 >> 1462340249.10121799 DistributedAtomicCorrection (301.06124s) started
T01 << 1462340250.42013192 DistributedAtomicCorrection (302.38015s) stopped
T01 >> 1462340250.42019105 Distribute overlap matrix (257.82225s) started
T01 >> 1462340250.42021108 blocked summation (244.51390s) started
T01 << 1462340251.52156591 blocked summation (245.61525s) stopped
T01 >> 1462340251.52318001 Scalapack redistribute (13.00101s) started
T01 << 1462340251.58188391 Scalapack redistribute (13.05972s) stopped
T01 << 1462340251.58195496 Distribute overlap matrix (258.98401s) stopped
T01 >> 1462340251.58252907 Blacs Orbital Layouts (615.31236s) started
T01 >> 1462340251.58387709 General diagonalize (603.25906s) started
T01 << 1462340254.28735495 General diagonalize (605.96254s) stopped
T01 >> 1462340254.28740811 Redistribute coefs (0.62613s) started
T01 << 1462340254.29029894 Redistribute coefs (0.62902s) stopped
T01 >> 1462340254.29033589 Send coefs to domains (11.10886s) started
T01 << 1462340254.34210896 Send coefs to domains (11.16064s) stopped
T01 << 1462340254.34243703 Blacs Orbital Layouts (618.07227s) stopped
T01 >> 1462340254.34248400 Calculate projections (571.41408s) started
T01 << 1462340256.82161593 Calculate projections (573.89322s) stopped
T01 << 1462340256.82186294 LCAO eigensolver (1811.00167s) stopped
T01 >> 1462340256.82252407 Density (442.71460s) started
T01 >> 1462340256.82253599 Pseudo density (365.40697s) started
T01 >> 1462340256.82288408 Calculate density matrix (328.60563s) started
T01 << 1462340258.42204499 Calculate density matrix (330.20479s) stopped
T01 >> 1462340258.42214799 Construct density (36.29265s) started
T01 << 1462340258.58977199 Construct density (36.46027s) stopped
T01 >> 1462340258.59188294 Symmetrize density (0.00911s) started
T01 << 1462340258.59191203 Symmetrize density (0.00914s) stopped
T01 << 1462340258.59227300 Pseudo density (367.17671s) stopped
T01 >> 1462340258.59229302 Atomic density matrices (51.11793s) started
T01 << 1462340258.82967496 Atomic density matrices (51.35531s) stopped
T01 >> 1462340258.82970810 Multipole moments (0.81032s) started
T01 << 1462340258.83373308 Multipole moments (0.81434s) stopped
T01 >> 1462340258.83375502 Normalize (0.22172s) started
T01 << 1462340258.83478594 Normalize (0.22275s) stopped
T01 >> 1462340258.83481789 Mix (25.14392s) started
T01 << 1462340258.94793010 Mix (25.25703s) stopped
T01 << 1462340258.94796896 Density (444.84005s) stopped
T01 >> 1462340258.94804406 Hamiltonian (5039.99285s) started
T01 >> 1462340258.94806099 vbar (2.53647s) started
T01 << 1462340258.96238399 vbar (2.55079s) stopped
T01 >> 1462340258.96244192 XC 3D grid (2183.93318s) started
T01 >> 1462340259.14823198 van der Waals (2106.94083s) started
T01 >> 1462340259.18952107 semilocal (481.65574s) started
T01 << 1462340261.42251897 semilocal (483.88873s) stopped
T01 >> 1462340261.45257497 redistribute (241.77849s) started
T01 << 1462340261.83162594 redistribute (242.15754s) stopped
T01 >> 1462340261.83168697 libvdwxc nonlocal (1367.55556s) started
T01 << 1462340268.23806190 libvdwxc nonlocal (1373.96193s) stopped
T01 >> 1462340268.23814011 redistribute (242.15757s) started
T01 << 1462340269.03138494 redistribute (242.95082s) stopped
T01 << 1462340269.03297806 van der Waals (2116.82558s) stopped
T01 << 1462340269.20660806 XC 3D grid (2194.17735s) stopped
T01 >> 1462340269.20665193 Poisson (468.32531s) started
T01 << 1462340270.98311710 Poisson (470.10177s) stopped
T01 >> 1462340270.98318195 Hartree integrate/restrict (17.18844s) started
T01 << 1462340270.99777508 Hartree integrate/restrict (17.20303s) stopped
T01 >> 1462340270.99787402 Hartree integrate/restrict (17.20310s) started
T01 << 1462340271.06499505 Hartree integrate/restrict (17.27023s) stopped
T01 >> 1462340271.08702898 Atomic (1349.16415s) started
T01 >> 1462340271.09744906 XC Correction (1346.44962s) started
T01 << 1462340277.44204307 XC Correction (1352.79421s) stopped
T01 << 1462340277.44506502 Atomic (1355.52219s) stopped
T01 >> 1462340277.44518304 Communicate (1014.03590s) started
T01 << 1462340282.02820802 Communicate (1018.61892s) stopped
T01 << 1462340282.02823400 Hamiltonian (5063.07304s) stopped
T01 >> 1462340282.02829909 LCAO eigensolver (1811.00169s) started
T01 >> 1462340282.02831197 Potential matrix (57.48427s) started
T01 << 1462340282.28243399 Potential matrix (57.73839s) stopped
T01 >> 1462340282.28249598 DistributedAtomicCorrection (302.38018s) started
T01 << 1462340283.60637903 DistributedAtomicCorrection (303.70407s) stopped
T01 >> 1462340283.60643911 Distribute overlap matrix (258.98402s) started
T01 >> 1462340283.60646009 blocked summation (245.61528s) started
T01 << 1462340284.71217895 blocked summation (246.72100s) stopped
T01 >> 1462340284.71378708 Scalapack redistribute (13.05975s) started
T01 << 1462340284.77450705 Scalapack redistribute (13.12047s) stopped
T01 << 1462340284.77457595 Distribute overlap matrix (260.15216s) stopped
T01 >> 1462340284.77516890 Blacs Orbital Layouts (618.07228s) started
T01 >> 1462340284.77652407 General diagonalize (605.96257s) started
T01 << 1462340287.47211003 General diagonalize (608.65816s) stopped
T01 >> 1462340287.47216296 Redistribute coefs (0.62905s) started
T01 << 1462340287.47501206 Redistribute coefs (0.63190s) stopped
T01 >> 1462340287.47505093 Send coefs to domains (11.16071s) started
T01 << 1462340287.52705789 Send coefs to domains (11.21271s) stopped
T01 << 1462340287.52738404 Blacs Orbital Layouts (620.82450s) stopped
T01 >> 1462340287.52743196 Calculate projections (573.89326s) started
T01 << 1462340290.00642610 Calculate projections (576.37226s) stopped
T01 << 1462340290.00667810 LCAO eigensolver (1818.98007s) stopped
T01 >> 1462340290.00733590 Density (444.84006s) started
T01 >> 1462340290.00734806 Pseudo density (367.17672s) started
T01 >> 1462340290.00770211 Calculate density matrix (330.20485s) started
T01 << 1462340291.60547304 Calculate density matrix (331.80262s) stopped
T01 >> 1462340291.60557199 Construct density (36.46030s) started
T01 << 1462340291.77311802 Construct density (36.62785s) stopped
T01 >> 1462340291.77522707 Symmetrize density (0.00915s) started
T01 << 1462340291.77525496 Symmetrize density (0.00917s) stopped
T01 << 1462340291.77561593 Pseudo density (368.94499s) stopped
T01 >> 1462340291.77563906 Atomic density matrices (51.35533s) started
T01 << 1462340292.01274300 Atomic density matrices (51.59244s) stopped
T01 >> 1462340292.01277709 Multipole moments (0.81436s) started
T01 << 1462340292.01683807 Multipole moments (0.81842s) stopped
T01 >> 1462340292.01686001 Normalize (0.22278s) started
T01 << 1462340292.01787591 Normalize (0.22379s) stopped
T01 >> 1462340292.01791310 Mix (25.25707s) started
T01 << 1462340292.13013411 Mix (25.36929s) stopped
T01 << 1462340292.13019109 Density (446.96291s) stopped
T01 >> 1462340292.13031006 Hamiltonian (5063.07306s) started
T01 >> 1462340292.13032889 vbar (2.55082s) started
T01 << 1462340292.14474106 vbar (2.56523s) stopped
T01 >> 1462340292.14480996 XC 3D grid (2194.17738s) started
T01 >> 1462340292.32807207 van der Waals (2116.82567s) started
T01 >> 1462340292.37021399 semilocal (483.88882s) started
T01 << 1462340294.58255792 semilocal (486.10117s) stopped
T01 >> 1462340294.61470795 redistribute (242.95091s) started
T01 << 1462340295.01550603 redistribute (243.35171s) stopped
T01 >> 1462340295.01556706 libvdwxc nonlocal (1373.96199s) started
T01 << 1462340301.42240191 libvdwxc nonlocal (1380.36882s) stopped
T01 >> 1462340301.42248011 redistribute (243.35174s) started
T01 << 1462340302.21191311 redistribute (244.14118s) stopped
T01 << 1462340302.21338296 van der Waals (2126.71098s) stopped
T01 << 1462340302.39468193 XC 3D grid (2204.42725s) stopped
T01 >> 1462340302.39473510 Poisson (470.10182s) started
T01 << 1462340304.16837001 Poisson (471.87546s) stopped
T01 >> 1462340304.16844606 Hartree integrate/restrict (17.27026s) started
T01 << 1462340304.18325710 Hartree integrate/restrict (17.28507s) stopped
T01 >> 1462340304.18330002 Hartree integrate/restrict (17.28510s) started
T01 << 1462340304.24918604 Hartree integrate/restrict (17.35099s) stopped
T01 >> 1462340304.27295995 Atomic (1355.52221s) started
T01 >> 1462340304.28336000 XC Correction (1352.79423s) started
T01 << 1462340310.60320902 XC Correction (1359.11408s) stopped
T01 << 1462340310.60624599 Atomic (1361.85549s) stopped
T01 >> 1462340310.60636306 Communicate (1018.61894s) started
T01 << 1462340314.99773097 Communicate (1023.01031s) stopped
T01 << 1462340314.99775791 Hamiltonian (5085.94050s) stopped
T01 >> 1462340314.99782705 LCAO eigensolver (1818.98009s) started
T01 >> 1462340314.99784088 Potential matrix (57.73842s) started
T01 << 1462340315.25345302 Potential matrix (57.99403s) stopped
T01 >> 1462340315.25351691 DistributedAtomicCorrection (303.70410s) started
T01 << 1462340316.58031893 DistributedAtomicCorrection (305.03090s) stopped
T01 >> 1462340316.58037901 Distribute overlap matrix (260.15217s) started
T01 >> 1462340316.58039999 blocked summation (246.72104s) started
T01 << 1462340317.66355109 blocked summation (247.80419s) stopped
T01 >> 1462340317.66527200 Scalapack redistribute (13.12050s) started
T01 << 1462340317.72395706 Scalapack redistribute (13.17918s) stopped
T01 << 1462340317.72402906 Distribute overlap matrix (261.29582s) stopped
T01 >> 1462340317.72462296 Blacs Orbital Layouts (620.82451s) started
T01 >> 1462340317.72677398 General diagonalize (608.65819s) started
T01 << 1462340320.44245791 General diagonalize (611.37387s) stopped
T01 >> 1462340320.44251204 Redistribute coefs (0.63193s) started
T01 << 1462340320.44482493 Redistribute coefs (0.63424s) stopped
T01 >> 1462340320.44486499 Send coefs to domains (11.21277s) started
T01 << 1462340320.49869895 Send coefs to domains (11.26661s) stopped
T01 << 1462340320.49920607 Blacs Orbital Layouts (623.59910s) stopped
T01 >> 1462340320.49925208 Calculate projections (576.37230s) started
T01 << 1462340322.97822189 Calculate projections (578.85127s) stopped
T01 << 1462340322.97847199 LCAO eigensolver (1826.96073s) stopped
T01 >> 1462340322.97913289 Density (446.96297s) started
T01 >> 1462340322.97914600 Pseudo density (368.94501s) started
T01 >> 1462340322.97948694 Calculate density matrix (331.80268s) started
T01 << 1462340324.58179402 Calculate density matrix (333.40498s) stopped
T01 >> 1462340324.58188701 Construct density (36.62788s) started
T01 << 1462340324.74944901 Construct density (36.79545s) stopped
T01 >> 1462340324.75058007 Symmetrize density (0.00919s) started
T01 << 1462340324.75060797 Symmetrize density (0.00921s) stopped
T01 << 1462340324.75098205 Pseudo density (370.71685s) stopped
T01 >> 1462340324.75100207 Atomic density matrices (51.59246s) started
T01 << 1462340324.98758698 Atomic density matrices (51.82905s) stopped
T01 >> 1462340324.98762393 Multipole moments (0.81843s) started
T01 << 1462340324.99167895 Multipole moments (0.82249s) stopped
T01 >> 1462340324.99170208 Normalize (0.22382s) started
T01 << 1462340324.99273705 Normalize (0.22485s) stopped
T01 >> 1462340324.99276805 Mix (25.36934s) started
T01 << 1462340325.10506105 Mix (25.48164s) stopped
T01 << 1462340325.10510206 Density (449.08894s) stopped
T01 >> 1462340325.10518694 Hamiltonian (5085.94052s) started
T01 >> 1462340325.10520411 vbar (2.56527s) started
T01 << 1462340325.11951900 vbar (2.57959s) stopped
T01 >> 1462340325.11959195 XC 3D grid (2204.42730s) started
T01 >> 1462340325.30491209 van der Waals (2126.71102s) started
T01 >> 1462340325.34593201 semilocal (486.10127s) started
T01 << 1462340327.57129407 semilocal (488.32663s) stopped
T01 >> 1462340327.60326409 redistribute (244.14121s) started
T01 << 1462340327.98566604 redistribute (244.52361s) stopped
T01 >> 1462340327.98572493 libvdwxc nonlocal (1380.36887s) started
T01 << 1462340334.44479704 libvdwxc nonlocal (1386.82794s) stopped
T01 >> 1462340334.44487405 redistribute (244.52364s) started
T01 << 1462340335.22989297 redistribute (245.30866s) stopped
T01 << 1462340335.23141909 van der Waals (2136.63752s) stopped
T01 << 1462340335.41118789 XC 3D grid (2214.71889s) stopped
T01 >> 1462340335.41124105 Poisson (471.87552s) started
T01 << 1462340337.18095994 Poisson (473.64523s) stopped
T01 >> 1462340337.18105698 Hartree integrate/restrict (17.35102s) started
T01 << 1462340337.19585395 Hartree integrate/restrict (17.36582s) stopped
T01 >> 1462340337.19599009 Hartree integrate/restrict (17.36591s) started
T01 << 1462340337.26309609 Hartree integrate/restrict (17.43302s) stopped
T01 >> 1462340337.28543901 Atomic (1361.85551s) started
T01 >> 1462340337.29588389 XC Correction (1359.11410s) started
T01 << 1462340343.60646510 XC Correction (1365.42468s) stopped
T01 << 1462340343.60950398 Atomic (1368.17957s) stopped
T01 >> 1462340343.60962391 Communicate (1023.01032s) started
T01 << 1462340348.04541898 Communicate (1027.44612s) stopped
T01 << 1462340348.04544497 Hamiltonian (5108.88077s) stopped
T01 >> 1462340348.04550695 LCAO eigensolver (1826.96075s) started
T01 >> 1462340348.04552102 Potential matrix (57.99407s) started
T01 << 1462340348.29842591 Potential matrix (58.24697s) stopped
T01 >> 1462340348.29848695 DistributedAtomicCorrection (305.03093s) started
T01 << 1462340349.62238693 DistributedAtomicCorrection (306.35483s) stopped
T01 >> 1462340349.62245011 Distribute overlap matrix (261.29583s) started
T01 >> 1462340349.62246990 blocked summation (247.80422s) started
T01 << 1462340350.71696997 blocked summation (248.89872s) stopped
T01 >> 1462340350.71857190 Scalapack redistribute (13.17921s) started
T01 << 1462340350.78054690 Scalapack redistribute (13.24119s) stopped
T01 << 1462340350.78061509 Distribute overlap matrix (262.45400s) stopped
T01 >> 1462340350.78121901 Blacs Orbital Layouts (623.59911s) started
T01 >> 1462340350.78257298 General diagonalize (611.37390s) started
T01 << 1462340353.51095009 General diagonalize (614.10228s) stopped
T01 >> 1462340353.51100302 Redistribute coefs (0.63427s) started
T01 << 1462340353.51284909 Redistribute coefs (0.63612s) stopped
T01 >> 1462340353.51293206 Send coefs to domains (11.26667s) started
T01 << 1462340353.56655192 Send coefs to domains (11.32029s) stopped
T01 << 1462340353.56687808 Blacs Orbital Layouts (626.38477s) stopped
T01 >> 1462340353.56692290 Calculate projections (578.85131s) started
T01 << 1462340356.04655099 Calculate projections (581.33094s) stopped
T01 << 1462340356.04680490 LCAO eigensolver (1834.96205s) stopped
T01 << 1462340356.04747105 SCF-cycle (7393.11486s) stopped
T01 >> 1462340356.94636989 Force calculation (258.76011s) started
T01 >> 1462340356.94642401 LCAO forces (166.02920s) started
T01 >> 1462340356.94676590 Initial (0.00020s) started
T01 << 1462340356.94677711 Initial (0.00021s) stopped
T01 >> 1462340356.95120811 Get density matrix (31.58861s) started
T01 << 1462340357.55021000 Get density matrix (32.18761s) stopped
T01 >> 1462340357.55026197 Potential (12.03584s) started
T01 << 1462340358.88494396 Potential (13.37052s) stopped
T01 >> 1462340358.88502502 Get density matrix (32.18764s) started
T01 << 1462340362.08270597 Get density matrix (35.38532s) stopped
T01 >> 1462340362.08280611 Prepare TCI loop (17.30190s) started
T01 >> 1462340362.08323789 Get neighbors (14.50795s) started
T01 << 1462340363.66346002 Get neighbors (16.08817s) stopped
T01 >> 1462340363.66370010 broadcast dH (2.78782s) started
T01 << 1462340363.80587506 broadcast dH (2.92999s) stopped
T01 << 1462340363.80591607 Prepare TCI loop (19.02501s) stopped
T01 >> 1462340363.80593491 Not so complicated loop (22.99807s) started
T01 << 1462340366.42344499 Not so complicated loop (25.61558s) stopped
T01 >> 1462340366.52226806 Complicated loop (81.03390s) started
T01 << 1462340375.56797004 Complicated loop (90.07960s) stopped
T01 >> 1462340375.58100510 Wait for sum (0.00044s) started
T01 << 1462340375.58104706 Wait for sum (0.00049s) stopped
T01 << 1462340375.58105898 LCAO forces (184.66383s) stopped
T01 << 1462340385.82759404 Force calculation (287.64134s) stopped
T01 >> 1462340385.84523511 Initialization (495.74761s) started
T01 << 1462340385.84542108 Initialization (495.74780s) stopped
T01 >> 1462340385.84567404 Initialization (495.74782s) started
T01 << 1462340385.84580803 Initialization (495.74795s) stopped
T01 >> 1462340385.84594703 Initialization (495.74796s) started
T01 << 1462340385.84608412 Initialization (495.74810s) stopped
T01 >> 1462340406.12523103 Initialization (495.74812s) started
T01 >> 1462340406.34377694 Basic WFS set positions (0.94585s) started
T01 >> 1462340406.34380102 Redistribute (0.01992s) started
T01 << 1462340406.34392905 Redistribute (0.02005s) stopped
T01 << 1462340406.44154406 Basic WFS set positions (1.04362s) stopped
T01 >> 1462340406.44157600 Basis functions set positions (4.25092s) started
T01 << 1462340406.85895491 Basis functions set positions (4.66830s) stopped
T01 >> 1462340406.86020994 TCI: Calculate S, T, P (146.84839s) started
T01 << 1462340421.83034801 TCI: Calculate S, T, P (161.81852s) stopped
T01 >> 1462340421.83042789 blocked summation (40.10398s) started
T01 << 1462340425.75891900 blocked summation (44.03247s) stopped
T01 >> 1462340425.75969791 Scalapack redistribute (1.80678s) started
T01 << 1462340425.82030892 Scalapack redistribute (1.86739s) stopped
T01 >> 1462340425.82067800 blocked summation (44.03251s) started
T01 << 1462340425.99049997 blocked summation (44.20233s) stopped
T01 >> 1462340425.99189591 Scalapack redistribute (1.86744s) started
T01 << 1462340426.18982601 Scalapack redistribute (2.06537s) stopped
T01 >> 1462340426.19096303 Redistribute (0.01799s) started
T01 << 1462340426.19190788 Redistribute (0.01894s) stopped
T01 >> 1462340427.12699795 Redistribute (0.01895s) started
T01 << 1462340427.12787509 Redistribute (0.01983s) stopped
T01 >> 1462340427.13594294 LCAO WFS Initialize (290.13950s) started
T01 >> 1462340427.13597012 Density initialize from wavefunctions (10.76528s) started
T01 >> 1462340427.13632488 Calculate density matrix (6.27753s) started
T01 << 1462340427.84928012 Calculate density matrix (6.99049s) stopped
T01 >> 1462340427.84935594 Construct density (1.51067s) started
T01 << 1462340428.01729798 Construct density (1.67861s) stopped
T01 >> 1462340428.01860404 Symmetrize density (0.00036s) started
T01 << 1462340428.01863694 Symmetrize density (0.00040s) stopped
T01 << 1462340428.35045695 Density initialize from wavefunctions (11.97977s) stopped
T01 >> 1462340428.35120392 Hamiltonian (279.17393s) started
T01 >> 1462340428.35124993 vbar (0.12375s) started
T01 << 1462340428.36442208 vbar (0.13692s) stopped
T01 >> 1462340428.36448193 XC 3D grid (100.88946s) started
T01 >> 1462340428.54461408 van der Waals (97.33706s) started
T01 >> 1462340428.58496690 semilocal (22.27029s) started
T01 << 1462340430.81573391 semilocal (24.50106s) stopped
T01 >> 1462340430.84700394 redistribute (11.14873s) started
T01 << 1462340431.22818494 redistribute (11.52991s) stopped
T01 >> 1462340431.22822499 libvdwxc nonlocal (63.18294s) started
T01 << 1462340437.67679811 libvdwxc nonlocal (69.63151s) stopped
T01 >> 1462340437.67686391 redistribute (11.52994s) started
T01 << 1462340438.44422889 redistribute (12.29731s) stopped
T01 << 1462340438.44555902 van der Waals (107.23801s) stopped
T01 << 1462340438.62541294 XC 3D grid (111.15039s) stopped
T01 >> 1462340438.62545300 Poisson (48.68161s) started
T01 << 1462340443.29458499 Poisson (53.35074s) stopped
T01 >> 1462340443.29465199 Hartree integrate/restrict (0.79174s) started
T01 << 1462340443.30913901 Hartree integrate/restrict (0.80622s) stopped
T01 >> 1462340443.30919695 Hartree integrate/restrict (0.80626s) started
T01 << 1462340443.37596798 Hartree integrate/restrict (0.87303s) stopped
T01 >> 1462340443.39298892 Atomic (66.20087s) started
T01 >> 1462340443.40294099 XC Correction (66.07428s) started
T01 << 1462340450.00154805 XC Correction (72.67289s) stopped
T01 << 1462340450.00454998 Atomic (72.81243s) stopped
T01 >> 1462340450.00473905 Communicate (62.24191s) started
T01 << 1462340456.83787394 Communicate (69.07504s) stopped
T01 << 1462340456.83789897 Hamiltonian (307.66063s) stopped
T01 << 1462340456.83794188 LCAO WFS Initialize (319.84150s) stopped
T01 << 1462340456.84983897 Initialization (546.47273s) stopped
T01 >> 1462340456.87361598 SCF-cycle (7393.11487s) started
T01 >> 1462340456.87365389 LCAO eigensolver (1834.96206s) started
T01 >> 1462340456.87366605 Potential matrix (58.24701s) started
T01 << 1462340457.13101196 Potential matrix (58.50435s) stopped
T01 >> 1462340457.13107991 DistributedAtomicCorrection (306.35486s) started
T01 << 1462340458.43069911 DistributedAtomicCorrection (307.65448s) stopped
T01 >> 1462340458.43075991 Distribute overlap matrix (262.45401s) started
T01 >> 1462340458.43078208 blocked summation (248.89875s) started
T01 << 1462340459.53981304 blocked summation (250.00778s) stopped
T01 >> 1462340459.54068899 Scalapack redistribute (13.24122s) started
T01 << 1462340459.59841990 Scalapack redistribute (13.29895s) stopped
T01 << 1462340459.59848809 Distribute overlap matrix (263.62174s) stopped
T01 >> 1462340459.59905195 Blacs Orbital Layouts (626.38479s) started
T01 >> 1462340459.59963393 General diagonalize (614.10231s) started
T01 << 1462340462.31380105 General diagonalize (616.81648s) stopped
T01 >> 1462340462.31384110 Redistribute coefs (0.63615s) started
T01 << 1462340462.31632996 Redistribute coefs (0.63864s) stopped
T01 >> 1462340462.31636906 Send coefs to domains (11.32036s) started
T01 << 1462340462.36957908 Send coefs to domains (11.37357s) stopped
T01 << 1462340462.36965394 Blacs Orbital Layouts (629.15539s) stopped
T01 >> 1462340462.36967802 Calculate projections (581.33098s) started
T01 << 1462340464.84898710 Calculate projections (583.81029s) stopped
T01 << 1462340464.84904790 LCAO eigensolver (1842.93746s) stopped
T01 >> 1462340464.84965611 Density (449.08895s) started
T01 >> 1462340464.84966898 Pseudo density (370.71686s) started
T01 >> 1462340464.84998798 Calculate density matrix (333.40504s) started
T01 << 1462340466.43007994 Calculate density matrix (334.98513s) stopped
T01 >> 1462340466.43015695 Construct density (36.79548s) started
T01 << 1462340466.59802794 Construct density (36.96335s) stopped
T01 >> 1462340466.59915709 Symmetrize density (0.00922s) started
T01 << 1462340466.59918690 Symmetrize density (0.00925s) stopped
T01 << 1462340466.59955311 Pseudo density (372.46675s) stopped
T01 >> 1462340466.59957290 Atomic density matrices (51.82907s) started
T01 << 1462340466.83755493 Atomic density matrices (52.06705s) stopped
T01 >> 1462340466.83758998 Multipole moments (0.82250s) started
T01 << 1462340466.84182692 Multipole moments (0.82674s) stopped
T01 >> 1462340466.84185004 Normalize (0.22488s) started
T01 << 1462340466.84283209 Normalize (0.22586s) stopped
T01 >> 1462340466.84286189 Mix (25.48168s) started
T01 << 1462340466.94484591 Mix (25.58366s) stopped
T01 << 1462340466.94492698 Density (451.18422s) stopped
T01 >> 1462340466.94502711 Hamiltonian (5108.88078s) started
T01 >> 1462340466.94504690 vbar (2.57963s) started
T01 << 1462340466.95889592 vbar (2.59348s) stopped
T01 >> 1462340466.95902395 XC 3D grid (2214.71893s) started
T01 >> 1462340467.13456392 van der Waals (2136.63756s) started
T01 >> 1462340467.17547488 semilocal (488.32674s) started
T01 << 1462340469.37295103 semilocal (490.52422s) stopped
T01 >> 1462340469.40866995 redistribute (245.30870s) started
T01 << 1462340469.81673193 redistribute (245.71676s) stopped
T01 >> 1462340469.81679010 libvdwxc nonlocal (1386.82799s) started
T01 << 1462340476.26776600 libvdwxc nonlocal (1393.27897s) stopped
T01 >> 1462340476.26783395 redistribute (245.71679s) started
T01 << 1462340477.04270911 redistribute (246.49167s) stopped
T01 << 1462340477.04435611 van der Waals (2146.54735s) stopped
T01 << 1462340477.22406507 XC 3D grid (2224.98398s) stopped
T01 >> 1462340477.22411895 Poisson (473.64531s) started
T01 << 1462340479.57958102 Poisson (476.00077s) stopped
T01 >> 1462340479.57966900 Hartree integrate/restrict (17.43305s) started
T01 << 1462340479.59450603 Hartree integrate/restrict (17.44788s) stopped
T01 >> 1462340479.59460807 Hartree integrate/restrict (17.44796s) started
T01 << 1462340479.66076207 Hartree integrate/restrict (17.51411s) stopped
T01 >> 1462340479.68458295 Atomic (1368.17959s) started
T01 >> 1462340479.69427109 XC Correction (1365.42471s) started
T01 << 1462340486.34216690 XC Correction (1372.07260s) stopped
T01 << 1462340486.34512210 Atomic (1374.84013s) stopped
T01 >> 1462340486.34524107 Communicate (1027.44614s) started
T01 << 1462340492.90091991 Communicate (1034.00182s) stopped
T01 << 1462340492.90094709 Hamiltonian (5134.83670s) stopped
T01 >> 1462340492.90101695 LCAO eigensolver (1842.93747s) started
T01 >> 1462340492.90103102 Potential matrix (58.50439s) started
T01 << 1462340493.15502596 Potential matrix (58.75839s) stopped
T01 >> 1462340493.15508795 DistributedAtomicCorrection (307.65451s) started
T01 << 1462340494.44808602 DistributedAtomicCorrection (308.94751s) stopped
T01 >> 1462340494.44814610 Distribute overlap matrix (263.62175s) started
T01 >> 1462340494.44816709 blocked summation (250.00781s) started
T01 << 1462340495.58694696 blocked summation (251.14659s) stopped
T01 >> 1462340495.58782101 Scalapack redistribute (13.29898s) started
T01 << 1462340495.64187598 Scalapack redistribute (13.35303s) stopped
T01 << 1462340495.64193797 Distribute overlap matrix (264.81554s) stopped
T01 >> 1462340495.64250207 Blacs Orbital Layouts (629.15540s) started
T01 >> 1462340495.64308310 General diagonalize (616.81651s) started
T01 << 1462340498.37186599 General diagonalize (619.54529s) stopped
T01 >> 1462340498.37191892 Redistribute coefs (0.63867s) started
T01 << 1462340498.37423706 Redistribute coefs (0.64099s) stopped
T01 >> 1462340498.37430310 Send coefs to domains (11.37363s) started
T01 << 1462340498.42730403 Send coefs to domains (11.42663s) stopped
T01 << 1462340498.42737389 Blacs Orbital Layouts (631.94028s) stopped
T01 >> 1462340498.42741799 Calculate projections (583.81034s) started
T01 << 1462340500.90651011 Calculate projections (586.28943s) stopped
T01 << 1462340500.90656900 LCAO eigensolver (1850.94302s) stopped
T01 >> 1462340500.90717697 Density (451.18424s) started
T01 >> 1462340500.90718889 Pseudo density (372.46676s) started
T01 >> 1462340500.90750408 Calculate density matrix (334.98518s) started
T01 << 1462340502.48562694 Calculate density matrix (336.56330s) stopped
T01 >> 1462340502.48570395 Construct density (36.96338s) started
T01 << 1462340502.65344906 Construct density (37.13113s) stopped
T01 >> 1462340502.65457201 Symmetrize density (0.00927s) started
T01 << 1462340502.65460110 Symmetrize density (0.00929s) stopped
T01 << 1462340502.65498304 Pseudo density (374.21455s) stopped
T01 >> 1462340502.65500307 Atomic density matrices (52.06708s) started
T01 << 1462340502.89167190 Atomic density matrices (52.30374s) stopped
T01 >> 1462340502.89170599 Multipole moments (0.82675s) started
T01 << 1462340502.89598107 Multipole moments (0.83103s) stopped
T01 >> 1462340502.89600205 Normalize (0.22588s) started
T01 << 1462340502.89697909 Normalize (0.22686s) stopped
T01 >> 1462340502.89700890 Mix (25.58374s) started
T01 << 1462340503.00233412 Mix (25.68906s) stopped
T01 << 1462340503.00242090 Density (453.27948s) stopped
T01 >> 1462340503.00252008 Hamiltonian (5134.83672s) started
T01 >> 1462340503.00253892 vbar (2.59356s) started
T01 << 1462340503.01642895 vbar (2.60745s) stopped
T01 >> 1462340503.01653910 XC 3D grid (2224.98402s) started
T01 >> 1462340503.19095111 van der Waals (2146.54745s) started
T01 >> 1462340503.23141408 semilocal (490.52434s) started
T01 << 1462340505.44256496 semilocal (492.73549s) stopped
T01 >> 1462340505.47544003 redistribute (246.49171s) started
T01 << 1462340505.86853909 redistribute (246.88480s) stopped
T01 >> 1462340505.86859608 libvdwxc nonlocal (1393.27902s) started
T01 << 1462340512.29838395 libvdwxc nonlocal (1399.70880s) stopped
T01 >> 1462340512.29844689 redistribute (246.88484s) started
T01 << 1462340513.07162690 redistribute (247.65802s) stopped
T01 << 1462340513.07291198 van der Waals (2156.42941s) stopped
T01 << 1462340513.25147796 XC 3D grid (2235.21896s) stopped
T01 >> 1462340513.25151896 Poisson (476.00084s) started
T01 << 1462340515.60181594 Poisson (478.35114s) stopped
T01 >> 1462340515.60189795 Hartree integrate/restrict (17.51414s) started
T01 << 1462340515.61658812 Hartree integrate/restrict (17.52883s) stopped
T01 >> 1462340515.61664104 Hartree integrate/restrict (17.52886s) started
T01 << 1462340515.68309808 Hartree integrate/restrict (17.59532s) stopped
T01 >> 1462340515.70501208 Atomic (1374.84014s) started
T01 >> 1462340515.71465397 XC Correction (1372.07262s) started
T01 << 1462340521.90756702 XC Correction (1378.26553s) stopped
T01 << 1462340521.91051602 Atomic (1381.04565s) stopped
T01 >> 1462340521.91064906 Communicate (1034.00183s) started
T01 << 1462340527.98699594 Communicate (1040.07818s) stopped
T01 << 1462340527.98702407 Hamiltonian (5159.82122s) stopped
T01 >> 1462340527.98709297 LCAO eigensolver (1850.94303s) started
T01 >> 1462340527.98710704 Potential matrix (58.75842s) started
T01 << 1462340528.24201107 Potential matrix (59.01332s) stopped
T01 >> 1462340528.24207592 DistributedAtomicCorrection (308.94754s) started
T01 << 1462340529.54684591 DistributedAtomicCorrection (310.25231s) stopped
T01 >> 1462340529.54690695 Distribute overlap matrix (264.81555s) started
T01 >> 1462340529.54692888 blocked summation (251.14662s) started
T01 << 1462340530.69506693 blocked summation (252.29476s) stopped
T01 >> 1462340530.69593906 Scalapack redistribute (13.35306s) started
T01 << 1462340530.74955893 Scalapack redistribute (13.40668s) stopped
T01 << 1462340530.74963188 Distribute overlap matrix (266.01828s) stopped
T01 >> 1462340530.75026703 Blacs Orbital Layouts (631.94029s) started
T01 >> 1462340530.75091410 General diagonalize (619.54532s) started
T01 << 1462340533.46135497 General diagonalize (622.25576s) stopped
T01 >> 1462340533.46140599 Redistribute coefs (0.64102s) started
T01 << 1462340533.46365499 Redistribute coefs (0.64327s) stopped
T01 >> 1462340533.46372390 Send coefs to domains (11.42669s) started
T01 << 1462340533.51714206 Send coefs to domains (11.48010s) stopped
T01 << 1462340533.51720905 Blacs Orbital Layouts (634.70723s) stopped
T01 >> 1462340533.51725411 Calculate projections (586.28947s) started
T01 << 1462340535.99662209 Calculate projections (588.76884s) stopped
T01 << 1462340535.99668288 LCAO eigensolver (1858.95262s) stopped
T01 >> 1462340535.99734497 Density (453.27950s) started
T01 >> 1462340535.99735808 Pseudo density (374.21457s) started
T01 >> 1462340535.99767900 Calculate density matrix (336.56336s) started
T01 << 1462340537.57306099 Calculate density matrix (338.13874s) stopped
T01 >> 1462340537.57316208 Construct density (37.13116s) started
T01 << 1462340537.74085307 Construct density (37.29885s) stopped
T01 >> 1462340537.74198008 Symmetrize density (0.00931s) started
T01 << 1462340537.74200892 Symmetrize density (0.00934s) stopped
T01 << 1462340537.74237800 Pseudo density (375.95959s) stopped
T01 >> 1462340537.74239802 Atomic density matrices (52.30377s) started
T01 << 1462340537.97969294 Atomic density matrices (52.54106s) stopped
T01 >> 1462340537.97972703 Multipole moments (0.83104s) started
T01 << 1462340537.98395395 Multipole moments (0.83527s) stopped
T01 >> 1462340537.98399901 Normalize (0.22688s) started
T01 << 1462340537.98494697 Normalize (0.22783s) stopped
T01 >> 1462340537.98498511 Mix (25.68915s) started
T01 << 1462340538.09271908 Mix (25.79688s) stopped
T01 << 1462340538.09276104 Density (455.37491s) stopped
T01 >> 1462340538.09284210 Hamiltonian (5159.82123s) started
T01 >> 1462340538.09285998 vbar (2.60751s) started
T01 << 1462340538.10690594 vbar (2.62156s) stopped
T01 >> 1462340538.10697508 XC 3D grid (2235.21899s) started
T01 >> 1462340538.28490305 van der Waals (2156.42945s) started
T01 >> 1462340538.32560992 semilocal (492.73557s) started
T01 << 1462340540.53550291 semilocal (494.94546s) stopped
T01 >> 1462340540.56681800 redistribute (247.65805s) started
T01 << 1462340540.96184611 redistribute (248.05308s) stopped
T01 >> 1462340540.96190190 libvdwxc nonlocal (1399.70885s) started
T01 << 1462340547.42291307 libvdwxc nonlocal (1406.16986s) stopped
T01 >> 1462340547.42298889 redistribute (248.05311s) started
T01 << 1462340548.19438004 redistribute (248.82450s) stopped
T01 << 1462340548.19579101 van der Waals (2166.34034s) stopped
T01 << 1462340548.37753797 XC 3D grid (2245.48955s) stopped
T01 >> 1462340548.37757993 Poisson (478.35120s) started
T01 << 1462340550.73047900 Poisson (480.70410s) stopped
T01 >> 1462340550.73056293 Hartree integrate/restrict (17.59534s) started
T01 << 1462340550.74532890 Hartree integrate/restrict (17.61011s) stopped
T01 >> 1462340550.74540591 Hartree integrate/restrict (17.61016s) started
T01 << 1462340550.81154799 Hartree integrate/restrict (17.67630s) stopped
T01 >> 1462340550.83417892 Atomic (1381.04567s) started
T01 >> 1462340550.84384799 XC Correction (1378.26556s) started
T01 << 1462340556.98249292 XC Correction (1384.40420s) stopped
T01 << 1462340556.98543310 Atomic (1387.19692s) stopped
T01 >> 1462340556.98555398 Communicate (1040.07820s) started
T01 << 1462340562.49629211 Communicate (1045.58894s) stopped
T01 << 1462340562.49631906 Hamiltonian (5184.22471s) stopped
T01 >> 1462340562.49639010 LCAO eigensolver (1858.95264s) started
T01 >> 1462340562.49640393 Potential matrix (59.01336s) started
T01 << 1462340562.75048089 Potential matrix (59.26744s) stopped
T01 >> 1462340562.75054312 DistributedAtomicCorrection (310.25234s) started
T01 << 1462340564.05634689 DistributedAtomicCorrection (311.55814s) stopped
T01 >> 1462340564.05640888 Distribute overlap matrix (266.01829s) started
T01 >> 1462340564.05643010 blocked summation (252.29479s) started
T01 << 1462340565.19019389 blocked summation (253.42856s) stopped
T01 >> 1462340565.19094110 Scalapack redistribute (13.40671s) started
T01 << 1462340565.24433708 Scalapack redistribute (13.46011s) stopped
T01 << 1462340565.24440098 Distribute overlap matrix (267.20628s) stopped
T01 >> 1462340565.24499607 Blacs Orbital Layouts (634.70724s) started
T01 >> 1462340565.24559498 General diagonalize (622.25579s) started
T01 << 1462340567.94080806 General diagonalize (624.95100s) stopped
T01 >> 1462340567.94086099 Redistribute coefs (0.64329s) started
T01 << 1462340567.94417191 Redistribute coefs (0.64660s) stopped
T01 >> 1462340567.94421005 Send coefs to domains (11.48016s) started
T01 << 1462340567.99499202 Send coefs to domains (11.53094s) stopped
T01 << 1462340567.99506402 Blacs Orbital Layouts (637.45731s) stopped
T01 >> 1462340567.99510694 Calculate projections (588.76888s) started
T01 << 1462340570.47442102 Calculate projections (591.24819s) stopped
T01 << 1462340570.47448206 LCAO eigensolver (1866.93073s) stopped
T01 >> 1462340570.47516894 Density (455.37493s) started
T01 >> 1462340570.47518206 Pseudo density (375.95960s) started
T01 >> 1462340570.47550607 Calculate density matrix (338.13880s) started
T01 << 1462340572.05122304 Calculate density matrix (339.71452s) stopped
T01 >> 1462340572.05132008 Construct density (37.29889s) started
T01 << 1462340572.21913695 Construct density (37.46670s) stopped
T01 >> 1462340572.22026300 Symmetrize density (0.00935s) started
T01 << 1462340572.22029209 Symmetrize density (0.00938s) stopped
T01 << 1462340572.22065997 Pseudo density (377.70508s) stopped
T01 >> 1462340572.22067904 Atomic density matrices (52.54109s) started
T01 << 1462340572.45875001 Atomic density matrices (52.77916s) stopped
T01 >> 1462340572.45878291 Multipole moments (0.83531s) started
T01 << 1462340572.46302605 Multipole moments (0.83955s) stopped
T01 >> 1462340572.46304703 Normalize (0.22786s) started
T01 << 1462340572.46402192 Normalize (0.22883s) stopped
T01 >> 1462340572.46406102 Mix (25.79692s) started
T01 << 1462340572.57559800 Mix (25.90846s) stopped
T01 << 1462340572.57567811 Density (457.47544s) stopped
T01 >> 1462340572.57578897 Hamiltonian (5184.22472s) started
T01 >> 1462340572.57580900 vbar (2.62159s) started
T01 << 1462340572.58958101 vbar (2.63537s) stopped
T01 >> 1462340572.58965111 XC 3D grid (2245.48958s) started
T01 >> 1462340572.76960802 van der Waals (2166.34037s) started
T01 >> 1462340572.81041408 semilocal (494.94551s) started
T01 << 1462340575.02805901 semilocal (497.16315s) stopped
T01 >> 1462340575.05997992 redistribute (248.82453s) started
T01 << 1462340575.45383000 redistribute (249.21838s) stopped
T01 >> 1462340575.45388603 libvdwxc nonlocal (1406.16991s) started
T01 << 1462340581.88342690 libvdwxc nonlocal (1412.59945s) stopped
T01 >> 1462340581.88350797 redistribute (249.21842s) started
T01 << 1462340582.65828300 redistribute (249.99319s) stopped
T01 << 1462340582.65981889 van der Waals (2176.23058s) stopped
T01 << 1462340582.84048390 XC 3D grid (2255.74042s) stopped
T01 >> 1462340582.84053802 Poisson (480.70417s) started
T01 << 1462340585.19231701 Poisson (483.05595s) stopped
T01 >> 1462340585.19241190 Hartree integrate/restrict (17.67633s) started
T01 << 1462340585.20714903 Hartree integrate/restrict (17.69107s) stopped
T01 >> 1462340585.20726800 Hartree integrate/restrict (17.69116s) started
T01 << 1462340585.27352905 Hartree integrate/restrict (17.75742s) stopped
T01 >> 1462340585.29692793 Atomic (1387.19694s) started
T01 >> 1462340585.30654812 XC Correction (1384.40422s) started
T01 << 1462340591.43094897 XC Correction (1390.52862s) stopped
T01 << 1462340591.43388700 Atomic (1393.33389s) stopped
T01 >> 1462340591.43401098 Communicate (1045.58895s) started
T01 << 1462340596.65092206 Communicate (1050.80587s) stopped
T01 << 1462340596.65094805 Hamiltonian (5208.29988s) stopped
T01 >> 1462340596.65101600 LCAO eigensolver (1866.93074s) started
T01 >> 1462340596.65102911 Potential matrix (59.26747s) started
T01 << 1462340596.90805602 Potential matrix (59.52450s) stopped
T01 >> 1462340596.90811896 DistributedAtomicCorrection (311.55817s) started
T01 << 1462340598.20924211 DistributedAtomicCorrection (312.85930s) stopped
T01 >> 1462340598.20930505 Distribute overlap matrix (267.20630s) started
T01 >> 1462340598.20932508 blocked summation (253.42859s) started
T01 << 1462340599.33112192 blocked summation (254.55038s) stopped
T01 >> 1462340599.33187389 Scalapack redistribute (13.46014s) started
T01 << 1462340599.39072108 Scalapack redistribute (13.51898s) stopped
T01 << 1462340599.39078307 Distribute overlap matrix (268.38778s) stopped
T01 >> 1462340599.39133310 Blacs Orbital Layouts (637.45732s) started
T01 >> 1462340599.39268804 General diagonalize (624.95104s) started
T01 << 1462340602.11160994 General diagonalize (627.66996s) stopped
T01 >> 1462340602.11166596 Redistribute coefs (0.64663s) started
T01 << 1462340602.11494398 Redistribute coefs (0.64991s) stopped
T01 >> 1462340602.11498094 Send coefs to domains (11.53100s) started
T01 << 1462340602.16813207 Send coefs to domains (11.58415s) stopped
T01 << 1462340602.16844606 Blacs Orbital Layouts (640.23444s) stopped
T01 >> 1462340602.16849303 Calculate projections (591.24823s) started
T01 << 1462340604.64770603 Calculate projections (593.72745s) stopped
T01 << 1462340604.64776897 LCAO eigensolver (1874.92749s) stopped
T01 >> 1462340604.64843011 Density (457.47545s) started
T01 >> 1462340604.64844108 Pseudo density (377.70510s) started
T01 >> 1462340604.64876103 Calculate density matrix (339.71458s) started
T01 << 1462340606.24177098 Calculate density matrix (341.30759s) stopped
T01 >> 1462340606.24189401 Construct density (37.46674s) started
T01 << 1462340606.40963507 Construct density (37.63448s) stopped
T01 >> 1462340606.41078305 Symmetrize density (0.00939s) started
T01 << 1462340606.41081190 Symmetrize density (0.00942s) stopped
T01 << 1462340606.41117597 Pseudo density (379.46783s) stopped
T01 >> 1462340606.41119599 Atomic density matrices (52.77918s) started
T01 << 1462340606.64778805 Atomic density matrices (53.01577s) stopped
T01 >> 1462340606.64782190 Multipole moments (0.83956s) started
T01 << 1462340606.65204597 Multipole moments (0.84379s) stopped
T01 >> 1462340606.65206695 Normalize (0.22886s) started
T01 << 1462340606.65302110 Normalize (0.22982s) stopped
T01 >> 1462340606.65305495 Mix (25.90853s) started
T01 << 1462340606.76807499 Mix (26.02355s) stopped
T01 << 1462340606.76811695 Density (459.59514s) stopped
T01 >> 1462340606.76820588 Hamiltonian (5208.29989s) started
T01 >> 1462340606.76822400 vbar (2.63541s) started
T01 << 1462340606.78231311 vbar (2.64950s) stopped
T01 >> 1462340606.78237200 XC 3D grid (2255.74046s) started
T01 >> 1462340606.96220112 van der Waals (2176.23064s) started
T01 >> 1462340607.00435400 semilocal (497.16323s) started
T01 << 1462340609.21874309 semilocal (499.37762s) stopped
T01 >> 1462340609.24969792 redistribute (249.99323s) started
T01 << 1462340609.63659692 redistribute (250.38012s) stopped
T01 >> 1462340609.63665700 libvdwxc nonlocal (1412.59950s) started
T01 << 1462340616.07146502 libvdwxc nonlocal (1419.03431s) stopped
T01 >> 1462340616.07154608 redistribute (250.38016s) started
T01 << 1462340616.84978008 redistribute (251.15839s) stopped
T01 << 1462340616.85169601 van der Waals (2186.12013s) stopped
T01 << 1462340617.02147293 XC 3D grid (2265.97956s) stopped
T01 >> 1462340617.02151203 Poisson (483.05603s) started
T01 << 1462340619.36770391 Poisson (485.40222s) stopped
T01 >> 1462340619.36778688 Hartree integrate/restrict (17.75745s) started
T01 << 1462340619.38258004 Hartree integrate/restrict (17.77224s) stopped
T01 >> 1462340619.38265705 Hartree integrate/restrict (17.77229s) started
T01 << 1462340619.45018506 Hartree integrate/restrict (17.83982s) stopped
T01 >> 1462340619.47213602 Atomic (1393.33391s) started
T01 >> 1462340619.48188996 XC Correction (1390.52864s) started
T01 << 1462340625.67804694 XC Correction (1396.72480s) stopped
T01 << 1462340625.68100691 Atomic (1399.54278s) stopped
T01 >> 1462340625.68112493 Communicate (1050.80588s) started
T01 << 1462340630.79963994 Communicate (1055.92440s) stopped
T01 << 1462340630.79966903 Hamiltonian (5232.33136s) stopped
T01 >> 1462340630.79975200 LCAO eigensolver (1874.92751s) started
T01 >> 1462340630.79976606 Potential matrix (59.52453s) started
T01 << 1462340631.05555701 Potential matrix (59.78032s) stopped
T01 >> 1462340631.05562401 DistributedAtomicCorrection (312.85933s) started
T01 << 1462340632.35618210 DistributedAtomicCorrection (314.15988s) stopped
T01 >> 1462340632.35624194 Distribute overlap matrix (268.38779s) started
T01 >> 1462340632.35626292 blocked summation (254.55041s) started
T01 << 1462340633.46910501 blocked summation (255.66325s) stopped
T01 >> 1462340633.47067595 Scalapack redistribute (13.51901s) started
T01 << 1462340633.53218198 Scalapack redistribute (13.58052s) stopped
T01 << 1462340633.53225088 Distribute overlap matrix (269.56380s) stopped
T01 >> 1462340633.53281689 Blacs Orbital Layouts (640.23445s) started
T01 >> 1462340633.53416610 General diagonalize (627.67000s) started
T01 << 1462340636.22162104 General diagonalize (630.35745s) stopped
T01 >> 1462340636.22167301 Redistribute coefs (0.64994s) started
T01 << 1462340636.22476912 Redistribute coefs (0.65303s) stopped
T01 >> 1462340636.22480607 Send coefs to domains (11.58421s) started
T01 << 1462340636.27867508 Send coefs to domains (11.63808s) stopped
T01 << 1462340636.27900505 Blacs Orbital Layouts (642.98064s) stopped
T01 >> 1462340636.27905107 Calculate projections (593.72749s) started
T01 << 1462340638.75976992 Calculate projections (596.20821s) stopped
T01 << 1462340638.76002407 LCAO eigensolver (1882.88778s) stopped
T01 >> 1462340638.76068497 Density (459.59515s) started
T01 >> 1462340638.76069689 Pseudo density (379.46784s) started
T01 >> 1462340638.76101494 Calculate density matrix (341.30767s) started
T01 << 1462340640.35164905 Calculate density matrix (342.89831s) stopped
T01 >> 1462340640.35174298 Construct density (37.63451s) started
T01 << 1462340640.51954007 Construct density (37.80231s) stopped
T01 >> 1462340640.52159595 Symmetrize density (0.00943s) started
T01 << 1462340640.52162790 Symmetrize density (0.00946s) stopped
T01 << 1462340640.52199793 Pseudo density (381.22915s) stopped
T01 >> 1462340640.52201796 Atomic density matrices (53.01579s) started
T01 << 1462340640.75893211 Atomic density matrices (53.25271s) stopped
T01 >> 1462340640.75896502 Multipole moments (0.84380s) started
T01 << 1462340640.76319909 Multipole moments (0.84804s) stopped
T01 >> 1462340640.76322007 Normalize (0.22984s) started
T01 << 1462340640.76420403 Normalize (0.23082s) stopped
T01 >> 1462340640.76423597 Mix (26.02359s) started
T01 << 1462340640.87924790 Mix (26.13860s) stopped
T01 << 1462340640.87933493 Density (461.71380s) stopped
T01 >> 1462340640.87943292 Hamiltonian (5232.33137s) started
T01 >> 1462340640.87945104 vbar (2.64953s) started
T01 << 1462340640.89338589 vbar (2.66346s) stopped
T01 >> 1462340640.89345407 XC 3D grid (2265.97959s) started
T01 >> 1462340641.07485700 van der Waals (2186.12021s) started
T01 >> 1462340641.11576700 semilocal (499.37768s) started
T01 << 1462340643.33843088 semilocal (501.60034s) stopped
T01 >> 1462340643.36955309 redistribute (251.15850s) started
T01 << 1462340643.75263810 redistribute (251.54159s) stopped
T01 >> 1462340643.75269604 libvdwxc nonlocal (1419.03436s) started
T01 << 1462340650.18360400 libvdwxc nonlocal (1425.46527s) stopped
T01 >> 1462340650.18368506 redistribute (251.54162s) started
T01 << 1462340650.96358895 redistribute (252.32152s) stopped
T01 << 1462340650.96516609 van der Waals (2196.01052s) stopped
T01 << 1462340651.13594103 XC 3D grid (2276.22208s) stopped
T01 >> 1462340651.13598204 Poisson (485.40229s) started
T01 << 1462340653.48334098 Poisson (487.74964s) stopped
T01 >> 1462340653.48340011 Hartree integrate/restrict (17.83986s) started
T01 << 1462340653.49821711 Hartree integrate/restrict (17.85467s) stopped
T01 >> 1462340653.49829006 Hartree integrate/restrict (17.85473s) started
T01 << 1462340653.56621599 Hartree integrate/restrict (17.92265s) stopped
T01 >> 1462340653.58776903 Atomic (1399.54280s) started
T01 >> 1462340653.59753394 XC Correction (1396.72482s) started
T01 << 1462340659.79052806 XC Correction (1402.91781s) stopped
T01 << 1462340659.79350400 Atomic (1405.74853s) stopped
T01 >> 1462340659.79363203 Communicate (1055.92442s) started
T01 << 1462340664.93655992 Communicate (1061.06735s) stopped
T01 << 1462340664.93658590 Hamiltonian (5256.38852s) stopped
T01 >> 1462340664.93665910 LCAO eigensolver (1882.88780s) started
T01 >> 1462340664.93667293 Potential matrix (59.78036s) started
T01 << 1462340665.18971705 Potential matrix (60.03340s) stopped
T01 >> 1462340665.18978000 DistributedAtomicCorrection (314.15991s) started
T01 << 1462340666.50311089 DistributedAtomicCorrection (315.47325s) stopped
T01 >> 1462340666.50317097 Distribute overlap matrix (269.56381s) started
T01 >> 1462340666.50319195 blocked summation (255.66329s) started
T01 << 1462340667.60175300 blocked summation (256.76185s) stopped
T01 >> 1462340667.60349298 Scalapack redistribute (13.58055s) started
T01 << 1462340667.66362810 Scalapack redistribute (13.64068s) stopped
T01 << 1462340667.66369295 Distribute overlap matrix (270.72433s) stopped
T01 >> 1462340667.66427493 Blacs Orbital Layouts (642.98066s) started
T01 >> 1462340667.66563201 General diagonalize (630.35748s) started
T01 << 1462340670.38272309 General diagonalize (633.07457s) stopped
T01 >> 1462340670.38277507 Redistribute coefs (0.65306s) started
T01 << 1462340670.38577509 Redistribute coefs (0.65606s) stopped
T01 >> 1462340670.38581395 Send coefs to domains (11.63815s) started
T01 << 1462340670.43917608 Send coefs to domains (11.69151s) stopped
T01 << 1462340670.43951297 Blacs Orbital Layouts (645.75590s) stopped
T01 >> 1462340670.43955493 Calculate projections (596.20825s) started
T01 << 1462340672.91886806 Calculate projections (598.68756s) stopped
T01 << 1462340672.91911793 LCAO eigensolver (1890.87025s) stopped
T01 >> 1462340672.91978407 Density (461.71382s) started
T01 >> 1462340672.91979599 Pseudo density (381.22916s) started
T01 >> 1462340672.92011690 Calculate density matrix (342.89836s) started
T01 << 1462340674.51891494 Calculate density matrix (344.49716s) stopped
T01 >> 1462340674.51900911 Construct density (37.80234s) started
T01 << 1462340674.68679500 Construct density (37.97013s) stopped
T01 >> 1462340674.68884802 Symmetrize density (0.00947s) started
T01 << 1462340674.68887806 Symmetrize density (0.00950s) stopped
T01 << 1462340674.68924499 Pseudo density (382.99861s) stopped
T01 >> 1462340674.68926501 Atomic density matrices (53.25273s) started
T01 << 1462340674.92641711 Atomic density matrices (53.48988s) stopped
T01 >> 1462340674.92645001 Multipole moments (0.84805s) started
T01 << 1462340674.93067098 Multipole moments (0.85227s) stopped
T01 >> 1462340674.93069196 Normalize (0.23085s) started
T01 << 1462340674.93165708 Normalize (0.23181s) stopped
T01 >> 1462340674.93168712 Mix (26.13869s) started
T01 << 1462340675.04723811 Mix (26.25424s) stopped
T01 << 1462340675.04729295 Density (463.84132s) stopped
T01 >> 1462340675.04739904 Hamiltonian (5256.38854s) started
T01 >> 1462340675.04741907 vbar (2.66350s) started
T01 << 1462340675.06128097 vbar (2.67736s) stopped
T01 >> 1462340675.06134605 XC 3D grid (2276.22211s) started
T01 >> 1462340675.23893809 van der Waals (2196.01056s) started
T01 >> 1462340675.27989411 semilocal (501.60041s) started
T01 << 1462340677.49817491 semilocal (503.81869s) stopped
T01 >> 1462340677.52987003 redistribute (252.32157s) started
T01 << 1462340677.92185402 redistribute (252.71355s) stopped
T01 >> 1462340677.92191195 libvdwxc nonlocal (1425.46532s) started
T01 << 1462340684.33964491 libvdwxc nonlocal (1431.88305s) stopped
T01 >> 1462340684.33972192 redistribute (252.71359s) started
T01 << 1462340685.11786389 redistribute (253.49173s) stopped
T01 << 1462340685.11937189 van der Waals (2205.89099s) stopped
T01 << 1462340685.28952098 XC 3D grid (2286.45028s) stopped
T01 >> 1462340685.28958106 Poisson (487.74969s) started
T01 << 1462340687.64356208 Poisson (490.10367s) stopped
T01 >> 1462340687.64365697 Hartree integrate/restrict (17.92268s) started
T01 << 1462340687.65843391 Hartree integrate/restrict (17.93746s) stopped
T01 >> 1462340687.65855789 Hartree integrate/restrict (17.93754s) started
T01 << 1462340687.72558498 Hartree integrate/restrict (18.00457s) stopped
T01 >> 1462340687.74808598 Atomic (1405.74855s) started
T01 >> 1462340687.75790501 XC Correction (1402.91783s) started
T01 << 1462340693.91328311 XC Correction (1409.07321s) stopped
T01 << 1462340693.91624999 Atomic (1411.91672s) stopped
T01 >> 1462340693.91636896 Communicate (1061.06736s) started
T01 << 1462340699.11044407 Communicate (1066.26144s) stopped
T01 << 1462340699.11047006 Hamiltonian (5280.45161s) stopped
T01 >> 1462340699.11053491 LCAO eigensolver (1890.87027s) started
T01 >> 1462340699.11054802 Potential matrix (60.03344s) started
T01 << 1462340699.36506104 Potential matrix (60.28795s) stopped
T01 >> 1462340699.36512399 DistributedAtomicCorrection (315.47328s) started
T01 << 1462340700.67846799 DistributedAtomicCorrection (316.78662s) stopped
T01 >> 1462340700.67852902 Distribute overlap matrix (270.72434s) started
T01 >> 1462340700.67855000 blocked summation (256.76188s) started
T01 << 1462340701.78201699 blocked summation (257.86535s) stopped
T01 >> 1462340701.78365493 Scalapack redistribute (13.64071s) started
T01 << 1462340701.84237099 Scalapack redistribute (13.69943s) stopped
T01 << 1462340701.84243393 Distribute overlap matrix (271.88824s) stopped
T01 >> 1462340701.84301901 Blacs Orbital Layouts (645.75591s) started
T01 >> 1462340701.84436488 General diagonalize (633.07460s) started
T01 << 1462340704.53428793 General diagonalize (635.76453s) stopped
T01 >> 1462340704.53434110 Redistribute coefs (0.65609s) started
T01 << 1462340704.53739905 Redistribute coefs (0.65915s) stopped
T01 >> 1462340704.53743601 Send coefs to domains (11.69160s) started
T01 << 1462340704.58993912 Send coefs to domains (11.74410s) stopped
T01 << 1462340704.59026098 Blacs Orbital Layouts (648.50315s) stopped
T01 >> 1462340704.59030604 Calculate projections (598.68761s) started
T01 << 1462340707.07120490 Calculate projections (601.16851s) stopped
T01 << 1462340707.07146001 LCAO eigensolver (1898.83120s) stopped
T01 >> 1462340707.07212901 Density (463.84134s) started
T01 >> 1462340707.07214189 Pseudo density (382.99863s) started
T01 >> 1462340707.07246399 Calculate density matrix (344.49722s) started
T01 << 1462340708.66233897 Calculate density matrix (346.08709s) stopped
T01 >> 1462340708.66242909 Construct density (37.97016s) started
T01 << 1462340708.83010411 Construct density (38.13784s) stopped
T01 >> 1462340708.83215404 Symmetrize density (0.00951s) started
T01 << 1462340708.83218288 Symmetrize density (0.00954s) stopped
T01 << 1462340708.83254790 Pseudo density (384.75903s) stopped
T01 >> 1462340708.83256698 Atomic density matrices (53.48990s) started
T01 << 1462340709.06991410 Atomic density matrices (53.72725s) stopped
T01 >> 1462340709.06994796 Multipole moments (0.85229s) started
T01 << 1462340709.07418704 Multipole moments (0.85653s) stopped
T01 >> 1462340709.07420897 Normalize (0.23183s) started
T01 << 1462340709.07519388 Normalize (0.23282s) stopped
T01 >> 1462340709.07522607 Mix (26.25429s) started
T01 << 1462340709.19137597 Mix (26.37044s) stopped
T01 << 1462340709.19142795 Density (465.96064s) stopped
T01 >> 1462340709.19153309 Hamiltonian (5280.45162s) started
T01 >> 1462340709.19155407 vbar (2.67740s) started
T01 << 1462340709.20553899 vbar (2.69138s) stopped
T01 >> 1462340709.20560789 XC 3D grid (2286.45033s) started
T01 >> 1462340709.38290906 van der Waals (2205.89105s) started
T01 >> 1462340709.42327189 semilocal (503.81880s) started
T01 << 1462340711.64579606 semilocal (506.04132s) stopped
T01 >> 1462340711.67617106 redistribute (253.49177s) started
T01 << 1462340712.06392789 redistribute (253.87953s) stopped
T01 >> 1462340712.06398702 libvdwxc nonlocal (1431.88310s) started
T01 << 1462340718.49217200 libvdwxc nonlocal (1438.31128s) stopped
T01 >> 1462340718.49225092 redistribute (253.87956s) started
T01 << 1462340719.27148199 redistribute (254.65879s) stopped
T01 << 1462340719.27319002 van der Waals (2215.78133s) stopped
T01 << 1462340719.44501400 XC 3D grid (2296.68974s) stopped
T01 >> 1462340719.44505501 Poisson (490.10374s) started
T01 << 1462340721.78668594 Poisson (492.44537s) stopped
T01 >> 1462340721.78674889 Hartree integrate/restrict (18.00460s) started
T01 << 1462340721.80131602 Hartree integrate/restrict (18.01917s) stopped
T01 >> 1462340721.80138493 Hartree integrate/restrict (18.01921s) started
T01 << 1462340721.86937094 Hartree integrate/restrict (18.08720s) stopped
T01 >> 1462340721.88991499 Atomic (1411.91673s) started
T01 >> 1462340721.89976597 XC Correction (1409.07323s) started
T01 << 1462340728.11767912 XC Correction (1415.29114s) stopped
T01 << 1462340728.12066293 Atomic (1418.14748s) stopped
T01 >> 1462340728.12078190 Communicate (1066.26146s) started
T01 << 1462340733.29398608 Communicate (1071.43466s) stopped
T01 << 1462340733.29400897 Hamiltonian (5304.55409s) stopped
T01 >> 1462340733.29407096 LCAO eigensolver (1898.83121s) started
T01 >> 1462340733.29408503 Potential matrix (60.28798s) started
T01 << 1462340733.54820108 Potential matrix (60.54210s) stopped
T01 >> 1462340733.54826403 DistributedAtomicCorrection (316.78665s) started
T01 << 1462340734.85967112 DistributedAtomicCorrection (318.09806s) stopped
T01 >> 1462340734.85973406 Distribute overlap matrix (271.88826s) started
T01 >> 1462340734.85975504 blocked summation (257.86538s) started
T01 << 1462340735.97643495 blocked summation (258.98206s) stopped
T01 >> 1462340735.97803092 Scalapack redistribute (13.69946s) started
T01 << 1462340736.03738499 Scalapack redistribute (13.75881s) stopped
T01 << 1462340736.03747010 Distribute overlap matrix (273.06599s) stopped
T01 >> 1462340736.03805900 Blacs Orbital Layouts (648.50317s) started
T01 >> 1462340736.03940010 General diagonalize (635.76456s) started
T01 << 1462340738.74680710 General diagonalize (638.47197s) stopped
T01 >> 1462340738.74685907 Redistribute coefs (0.65918s) started
T01 << 1462340738.74996710 Redistribute coefs (0.66229s) stopped
T01 >> 1462340738.75000596 Send coefs to domains (11.74417s) started
T01 << 1462340738.80216193 Send coefs to domains (11.79632s) stopped
T01 << 1462340738.80247903 Blacs Orbital Layouts (651.26759s) stopped
T01 >> 1462340738.80252099 Calculate projections (601.16855s) started
T01 << 1462340741.28198290 Calculate projections (603.64801s) stopped
T01 << 1462340741.28223205 LCAO eigensolver (1906.81937s) stopped
T01 >> 1462340741.28289294 Density (465.96065s) started
T01 >> 1462340741.28290510 Pseudo density (384.75905s) started
T01 >> 1462340741.28322101 Calculate density matrix (346.08714s) started
T01 << 1462340742.87132001 Calculate density matrix (347.67524s) stopped
T01 >> 1462340742.87140989 Construct density (38.13787s) started
T01 << 1462340743.03910494 Construct density (38.30557s) stopped
T01 >> 1462340743.04116702 Symmetrize density (0.00955s) started
T01 << 1462340743.04119611 Symmetrize density (0.00958s) stopped
T01 << 1462340743.04155898 Pseudo density (386.51770s) stopped
T01 >> 1462340743.04157805 Atomic density matrices (53.72727s) started
T01 << 1462340743.27819490 Atomic density matrices (53.96389s) stopped
T01 >> 1462340743.27822900 Multipole moments (0.85654s) started
T01 << 1462340743.28249311 Multipole moments (0.86080s) stopped
T01 >> 1462340743.28251505 Normalize (0.23284s) started
T01 << 1462340743.28347802 Normalize (0.23380s) stopped
T01 >> 1462340743.28351307 Mix (26.37049s) started
T01 << 1462340743.39868093 Mix (26.48566s) stopped
T01 << 1462340743.39871693 Density (468.07647s) stopped
T01 >> 1462340743.39879990 Hamiltonian (5304.55411s) started
T01 >> 1462340743.39881897 vbar (2.69142s) started
T01 << 1462340743.41282892 vbar (2.70543s) stopped
T01 >> 1462340743.41288900 XC 3D grid (2296.68977s) started
T01 >> 1462340743.59594202 van der Waals (2215.78139s) started
T01 >> 1462340743.63690305 semilocal (506.04136s) started
T01 << 1462340745.86042500 semilocal (508.26489s) stopped
T01 >> 1462340745.89116812 redistribute (254.65890s) started
T01 << 1462340746.27456808 redistribute (255.04230s) stopped
T01 >> 1462340746.27462912 libvdwxc nonlocal (1438.31133s) started
T01 << 1462340752.70156598 libvdwxc nonlocal (1444.73827s) stopped
T01 >> 1462340752.70164490 redistribute (255.04233s) started
T01 << 1462340753.48307610 redistribute (255.82376s) stopped
T01 << 1462340753.48523307 van der Waals (2225.67068s) stopped
T01 << 1462340753.65444708 XC 3D grid (2306.93132s) stopped
T01 >> 1462340753.65448689 Poisson (492.44542s) started
T01 << 1462340756.01672411 Poisson (494.80766s) stopped
T01 >> 1462340756.01680994 Hartree integrate/restrict (18.08723s) started
T01 << 1462340756.03161311 Hartree integrate/restrict (18.10203s) stopped
T01 >> 1462340756.03168106 Hartree integrate/restrict (18.10208s) started
T01 << 1462340756.09893489 Hartree integrate/restrict (18.16933s) stopped
T01 >> 1462340756.11474395 Atomic (1418.14750s) started
T01 >> 1462340756.12457299 XC Correction (1415.29116s) started
T01 << 1462340762.25724602 XC Correction (1421.42384s) stopped
T01 << 1462340762.26022792 Atomic (1424.29298s) stopped
T01 >> 1462340762.26034594 Communicate (1071.43468s) started
T01 << 1462340767.52354288 Communicate (1076.69787s) stopped
T01 << 1462340767.52356911 Hamiltonian (5328.67887s) stopped
T01 >> 1462340767.52364397 LCAO eigensolver (1906.81939s) started
T01 >> 1462340767.52365804 Potential matrix (60.54213s) started
T01 << 1462340767.77765989 Potential matrix (60.79614s) stopped
T01 >> 1462340767.77772188 DistributedAtomicCorrection (318.09809s) started
T01 << 1462340769.08904505 DistributedAtomicCorrection (319.40941s) stopped
T01 >> 1462340769.08910489 Distribute overlap matrix (273.06600s) started
T01 >> 1462340769.08912706 blocked summation (258.98209s) started
T01 << 1462340770.20734191 blocked summation (260.10030s) stopped
T01 >> 1462340770.20908189 Scalapack redistribute (13.75886s) started
T01 << 1462340770.26845789 Scalapack redistribute (13.81824s) stopped
T01 << 1462340770.26852608 Distribute overlap matrix (274.24543s) stopped
T01 >> 1462340770.26909399 Blacs Orbital Layouts (651.26761s) started
T01 >> 1462340770.27046895 General diagonalize (638.47200s) started
T01 << 1462340772.97011805 General diagonalize (641.17165s) stopped
T01 >> 1462340772.97017097 Redistribute coefs (0.66232s) started
T01 << 1462340772.97328901 Redistribute coefs (0.66543s) stopped
T01 >> 1462340772.97332597 Send coefs to domains (11.79639s) started
T01 << 1462340773.02593088 Send coefs to domains (11.84899s) stopped
T01 << 1462340773.02626991 Blacs Orbital Layouts (654.02478s) stopped
T01 >> 1462340773.02631807 Calculate projections (603.64806s) started
T01 << 1462340775.50566101 Calculate projections (606.12740s) stopped
T01 << 1462340775.50591111 LCAO eigensolver (1914.80166s) stopped
T01 >> 1462340775.50657892 Density (468.07649s) started
T01 >> 1462340775.50659204 Pseudo density (386.51771s) started
T01 >> 1462340775.50691795 Calculate density matrix (347.67530s) started
T01 << 1462340777.09465504 Calculate density matrix (349.26304s) stopped
T01 >> 1462340777.09475088 Construct density (38.30560s) started
T01 << 1462340777.26255989 Construct density (38.47341s) stopped
T01 >> 1462340777.26460409 Symmetrize density (0.00959s) started
T01 << 1462340777.26463699 Symmetrize density (0.00962s) stopped
T01 << 1462340777.26500702 Pseudo density (388.27613s) stopped
T01 >> 1462340777.26502609 Atomic density matrices (53.96391s) started
T01 << 1462340777.50167203 Atomic density matrices (54.20056s) stopped
T01 >> 1462340777.50170493 Multipole moments (0.86082s) started
T01 << 1462340777.50599289 Multipole moments (0.86511s) stopped
T01 >> 1462340777.50601506 Normalize (0.23383s) started
T01 << 1462340777.50698400 Normalize (0.23480s) stopped
T01 >> 1462340777.50701594 Mix (26.48570s) started
T01 << 1462340777.62236190 Mix (26.60104s) stopped
T01 << 1462340777.62240911 Density (470.19232s) stopped
T01 >> 1462340777.62249589 Hamiltonian (5328.67889s) started
T01 >> 1462340777.62251401 vbar (2.70546s) started
T01 << 1462340777.63672495 vbar (2.71967s) stopped
T01 >> 1462340777.63678408 XC 3D grid (2306.93135s) started
T01 >> 1462340777.81491709 van der Waals (2225.67078s) started
T01 >> 1462340777.85560799 semilocal (508.26496s) started
T01 << 1462340780.08349705 semilocal (510.49285s) stopped
T01 >> 1462340780.11466002 redistribute (255.82387s) started
T01 << 1462340780.49564290 redistribute (256.20485s) stopped
T01 >> 1462340780.49570107 libvdwxc nonlocal (1444.73831s) started
T01 << 1462340786.93759894 libvdwxc nonlocal (1451.18021s) stopped
T01 >> 1462340786.93768597 redistribute (256.20489s) started
T01 << 1462340787.71574402 redistribute (256.98294s) stopped
T01 << 1462340787.71782494 van der Waals (2235.57368s) stopped
T01 << 1462340787.88838196 XC 3D grid (2317.18295s) stopped
T01 >> 1462340787.88842297 Poisson (494.80773s) started
T01 << 1462340790.23318601 Poisson (497.15249s) stopped
T01 >> 1462340790.23325610 Hartree integrate/restrict (18.16936s) started
T01 << 1462340790.24778509 Hartree integrate/restrict (18.18389s) stopped
T01 >> 1462340790.24786711 Hartree integrate/restrict (18.18395s) started
T01 << 1462340790.31513500 Hartree integrate/restrict (18.25122s) stopped
T01 >> 1462340790.33686209 Atomic (1424.29300s) started
T01 >> 1462340790.34667993 XC Correction (1421.42386s) started
T01 << 1462340796.51599312 XC Correction (1427.59317s) stopped
T01 << 1462340796.51898098 Atomic (1430.47512s) stopped
T01 >> 1462340796.51910210 Communicate (1076.69789s) started
T01 << 1462340801.71248698 Communicate (1081.89128s) stopped
T01 << 1462340801.71251202 Hamiltonian (5352.76890s) stopped
T01 >> 1462340801.71257591 LCAO eigensolver (1914.80168s) started
T01 >> 1462340801.71258903 Potential matrix (60.79617s) started
T01 << 1462340801.96912408 Potential matrix (61.05271s) stopped
T01 >> 1462340801.96918607 DistributedAtomicCorrection (319.40944s) started
T01 << 1462340803.28620696 DistributedAtomicCorrection (320.72647s) stopped
T01 >> 1462340803.28626800 Distribute overlap matrix (274.24544s) started
T01 >> 1462340803.28628898 blocked summation (260.10033s) started
T01 << 1462340804.40530109 blocked summation (261.21935s) stopped
T01 >> 1462340804.40712500 Scalapack redistribute (13.81827s) started
T01 << 1462340804.46565390 Scalapack redistribute (13.87680s) stopped
T01 << 1462340804.46571589 Distribute overlap matrix (275.42489s) stopped
T01 >> 1462340804.46629500 Blacs Orbital Layouts (654.02480s) started
T01 >> 1462340804.46765590 General diagonalize (641.17168s) started
T01 << 1462340807.17797709 General diagonalize (643.88200s) stopped
T01 >> 1462340807.17803001 Redistribute coefs (0.66546s) started
T01 << 1462340807.18117404 Redistribute coefs (0.66861s) stopped
T01 >> 1462340807.18121099 Send coefs to domains (11.84906s) started
T01 << 1462340807.23440790 Send coefs to domains (11.90225s) stopped
T01 << 1462340807.23473406 Blacs Orbital Layouts (656.79324s) stopped
T01 >> 1462340807.23478508 Calculate projections (606.12745s) started
T01 << 1462340809.71408892 Calculate projections (608.60675s) stopped
T01 << 1462340809.71433997 LCAO eigensolver (1922.80344s) stopped
T01 >> 1462340809.71499205 Density (470.19233s) started
T01 >> 1462340809.71500397 Pseudo density (388.27614s) started
T01 >> 1462340809.71532106 Calculate density matrix (349.26310s) started
T01 << 1462340811.30550003 Calculate density matrix (350.85327s) stopped
T01 >> 1462340811.30558991 Construct density (38.47344s) started
T01 << 1462340811.47326994 Construct density (38.64112s) stopped
T01 >> 1462340811.47531390 Symmetrize density (0.00964s) started
T01 << 1462340811.47534299 Symmetrize density (0.00967s) stopped
T01 << 1462340811.47571707 Pseudo density (390.03686s) stopped
T01 >> 1462340811.47573709 Atomic density matrices (54.20058s) started
T01 << 1462340811.71292901 Atomic density matrices (54.43777s) stopped
T01 >> 1462340811.71296191 Multipole moments (0.86512s) started
T01 << 1462340811.71725011 Multipole moments (0.86941s) stopped
T01 >> 1462340811.71727204 Normalize (0.23482s) started
T01 << 1462340811.71825600 Normalize (0.23581s) stopped
T01 >> 1462340811.71829295 Mix (26.60109s) started
T01 << 1462340811.83447289 Mix (26.71727s) stopped
T01 << 1462340811.83456993 Density (472.31191s) stopped
T01 >> 1462340811.83467102 Hamiltonian (5352.76892s) started
T01 >> 1462340811.83469200 vbar (2.71970s) started
T01 << 1462340811.84867406 vbar (2.73369s) stopped
T01 >> 1462340811.84876704 XC 3D grid (2317.18298s) started
T01 >> 1462340812.02889109 van der Waals (2235.57375s) started
T01 >> 1462340812.06891608 semilocal (510.49291s) started
T01 << 1462340814.29663706 semilocal (512.72063s) stopped
T01 >> 1462340814.32793093 redistribute (256.98306s) started
T01 << 1462340814.70660710 redistribute (257.36173s) stopped
T01 >> 1462340814.70666599 libvdwxc nonlocal (1451.18026s) started
T01 << 1462340821.16727901 libvdwxc nonlocal (1457.64088s) stopped
T01 >> 1462340821.16735697 redistribute (257.36177s) started
T01 << 1462340821.93666792 redistribute (258.13108s) stopped
T01 << 1462340821.93758702 van der Waals (2245.48245s) stopped
T01 << 1462340822.11891699 XC 3D grid (2327.45313s) stopped
T01 >> 1462340822.11897492 Poisson (497.15254s) started
T01 << 1462340823.88930106 Poisson (498.92286s) stopped
T01 >> 1462340823.88939500 Hartree integrate/restrict (18.25125s) started
T01 << 1462340823.90406203 Hartree integrate/restrict (18.26592s) stopped
T01 >> 1462340823.90417409 Hartree integrate/restrict (18.26600s) started
T01 << 1462340823.97052693 Hartree integrate/restrict (18.33235s) stopped
T01 >> 1462340823.99317598 Atomic (1430.47513s) started
T01 >> 1462340824.00299096 XC Correction (1427.59319s) started
T01 << 1462340830.16777205 XC Correction (1433.75797s) stopped
T01 << 1462340830.17075610 Atomic (1436.65271s) stopped
T01 >> 1462340830.17087507 Communicate (1081.89129s) started
T01 << 1462340835.40329504 Communicate (1087.12371s) stopped
T01 << 1462340835.40332103 Hamiltonian (5376.33757s) stopped
T01 >> 1462340835.40338898 LCAO eigensolver (1922.80346s) started
T01 >> 1462340835.40340304 Potential matrix (61.05274s) started
T01 << 1462340835.65857792 Potential matrix (61.30792s) stopped
T01 >> 1462340835.65864301 DistributedAtomicCorrection (320.72650s) started
T01 << 1462340836.96935201 DistributedAtomicCorrection (322.03720s) stopped
T01 >> 1462340836.96941209 Distribute overlap matrix (275.42490s) started
T01 >> 1462340836.96943307 blocked summation (261.21938s) started
T01 << 1462340838.10186791 blocked summation (262.35181s) stopped
T01 >> 1462340838.10346389 Scalapack redistribute (13.87683s) started
T01 << 1462340838.16413689 Scalapack redistribute (13.93750s) stopped
T01 << 1462340838.16420007 Distribute overlap matrix (276.61968s) stopped
T01 >> 1462340838.16477990 Blacs Orbital Layouts (656.79326s) started
T01 >> 1462340838.16612601 General diagonalize (643.88203s) started
T01 << 1462340840.86239910 General diagonalize (646.57831s) stopped
T01 >> 1462340840.86245203 Redistribute coefs (0.66863s) started
T01 << 1462340840.86444807 Redistribute coefs (0.67063s) stopped
T01 >> 1462340840.86451888 Send coefs to domains (11.90231s) started
T01 << 1462340840.91892195 Send coefs to domains (11.95672s) stopped
T01 << 1462340840.91924000 Blacs Orbital Layouts (659.54772s) stopped
T01 >> 1462340840.91928601 Calculate projections (608.60679s) started
T01 << 1462340843.39858389 Calculate projections (611.08609s) stopped
T01 << 1462340843.39883995 LCAO eigensolver (1930.79891s) stopped
T01 >> 1462340843.39950395 Density (472.31193s) started
T01 >> 1462340843.39951611 Pseudo density (390.03687s) started
T01 >> 1462340843.39984298 Calculate density matrix (350.85333s) started
T01 << 1462340844.98112702 Calculate density matrix (352.43461s) stopped
T01 >> 1462340844.98122191 Construct density (38.64115s) started
T01 << 1462340845.14898491 Construct density (38.80892s) stopped
T01 >> 1462340845.15009904 Symmetrize density (0.00968s) started
T01 << 1462340845.15012789 Symmetrize density (0.00971s) stopped
T01 << 1462340845.15049195 Pseudo density (391.78785s) stopped
T01 >> 1462340845.15051103 Atomic density matrices (54.43780s) started
T01 << 1462340845.38782191 Atomic density matrices (54.67511s) stopped
T01 >> 1462340845.38785601 Multipole moments (0.86942s) started
T01 << 1462340845.39215493 Multipole moments (0.87372s) stopped
T01 >> 1462340845.39217710 Normalize (0.23583s) started
T01 << 1462340845.39315200 Normalize (0.23681s) stopped
T01 >> 1462340845.39318800 Mix (26.71736s) started
T01 << 1462340845.50758290 Mix (26.83175s) stopped
T01 << 1462340845.50766492 Density (474.42009s) stopped
T01 >> 1462340845.50775695 Hamiltonian (5376.33758s) started
T01 >> 1462340845.50777507 vbar (2.73374s) started
T01 << 1462340845.52178597 vbar (2.74775s) stopped
T01 >> 1462340845.52190590 XC 3D grid (2327.45318s) started
T01 >> 1462340845.70480895 van der Waals (2245.48247s) started
T01 >> 1462340845.74622297 semilocal (512.72070s) started
T01 << 1462340847.96875095 semilocal (514.94322s) stopped
T01 >> 1462340848.00128102 redistribute (258.13111s) started
T01 << 1462340848.39812899 redistribute (258.52796s) stopped
T01 >> 1462340848.39818597 libvdwxc nonlocal (1457.64092s) started
T01 << 1462340854.82340598 libvdwxc nonlocal (1464.06614s) stopped
T01 >> 1462340854.82348895 redistribute (258.52799s) started
T01 << 1462340855.60180712 redistribute (259.30631s) stopped
T01 << 1462340855.60329294 van der Waals (2255.38095s) stopped
T01 << 1462340855.78481507 XC 3D grid (2337.71609s) stopped
T01 >> 1462340855.78485608 Poisson (498.92294s) started
T01 << 1462340857.55605888 Poisson (500.69414s) stopped
T01 >> 1462340857.55611205 Hartree integrate/restrict (18.33238s) started
T01 << 1462340857.57083201 Hartree integrate/restrict (18.34710s) stopped
T01 >> 1462340857.57089400 Hartree integrate/restrict (18.34714s) started
T01 << 1462340857.63678288 Hartree integrate/restrict (18.41303s) stopped
T01 >> 1462340857.66013503 Atomic (1436.65273s) started
T01 >> 1462340857.66983390 XC Correction (1433.75799s) started
T01 << 1462340863.82726598 XC Correction (1439.91543s) stopped
T01 << 1462340863.83024693 Atomic (1442.82284s) stopped
T01 >> 1462340863.83036399 Communicate (1087.12373s) started
T01 << 1462340869.12364197 Communicate (1092.41701s) stopped
T01 << 1462340869.12366796 Hamiltonian (5399.95349s) stopped
T01 >> 1462340869.12373209 LCAO eigensolver (1930.79893s) started
T01 >> 1462340869.12374496 Potential matrix (61.30795s) started
T01 << 1462340869.37678409 Potential matrix (61.56099s) stopped
T01 >> 1462340869.37684703 DistributedAtomicCorrection (322.03723s) started
T01 << 1462340870.67989802 DistributedAtomicCorrection (323.34029s) stopped
T01 >> 1462340870.67996001 Distribute overlap matrix (276.61970s) started
T01 >> 1462340870.67998099 blocked summation (262.35184s) started
T01 << 1462340871.80490589 blocked summation (263.47677s) stopped
T01 >> 1462340871.80660892 Scalapack redistribute (13.93753s) started
T01 << 1462340871.86741304 Scalapack redistribute (13.99833s) stopped
T01 << 1462340871.86747408 Distribute overlap matrix (277.80721s) stopped
T01 >> 1462340871.86806297 Blacs Orbital Layouts (659.54774s) started
T01 >> 1462340871.86941910 General diagonalize (646.57834s) started
T01 << 1462340874.57459593 General diagonalize (649.28352s) stopped
T01 >> 1462340874.57465196 Redistribute coefs (0.67066s) started
T01 << 1462340874.57663894 Redistribute coefs (0.67265s) stopped
T01 >> 1462340874.57670808 Send coefs to domains (11.95677s) started
T01 << 1462340874.62945008 Send coefs to domains (12.00952s) stopped
T01 << 1462340874.62976909 Blacs Orbital Layouts (662.30944s) stopped
T01 >> 1462340874.62981296 Calculate projections (611.08614s) started
T01 << 1462340877.11060810 Calculate projections (613.56693s) stopped
T01 << 1462340877.11086202 LCAO eigensolver (1938.78606s) stopped
T01 >> 1462340877.11152291 Density (474.42010s) started
T01 >> 1462340877.11153507 Pseudo density (391.78786s) started
T01 >> 1462340877.11186290 Calculate density matrix (352.43467s) started
T01 << 1462340878.68705010 Calculate density matrix (354.00985s) stopped
T01 >> 1462340878.68713999 Construct density (38.80895s) started
T01 << 1462340878.85503006 Construct density (38.97684s) stopped
T01 >> 1462340878.85615492 Symmetrize density (0.00972s) started
T01 << 1462340878.85618496 Symmetrize density (0.00975s) stopped
T01 << 1462340878.85654712 Pseudo density (393.53287s) stopped
T01 >> 1462340878.85656595 Atomic density matrices (54.67513s) started
T01 << 1462340879.09388709 Atomic density matrices (54.91245s) stopped
T01 >> 1462340879.09392095 Multipole moments (0.87374s) started
T01 << 1462340879.09819007 Multipole moments (0.87801s) stopped
T01 >> 1462340879.09821200 Normalize (0.23683s) started
T01 << 1462340879.09918308 Normalize (0.23780s) stopped
T01 >> 1462340879.09921694 Mix (26.83183s) started
T01 << 1462340879.21507096 Mix (26.94769s) stopped
T01 << 1462340879.21515393 Density (476.52373s) stopped
T01 >> 1462340879.21525598 Hamiltonian (5399.95350s) started
T01 >> 1462340879.21527600 vbar (2.74782s) started
T01 << 1462340879.22935009 vbar (2.76189s) stopped
T01 >> 1462340879.22948194 XC 3D grid (2337.71612s) started
T01 >> 1462340879.41114902 van der Waals (2255.38100s) started
T01 >> 1462340879.45193291 semilocal (514.94331s) started
T01 << 1462340881.66825795 semilocal (517.15964s) stopped
T01 >> 1462340881.69901896 redistribute (259.30634s) started
T01 << 1462340882.08501196 redistribute (259.69234s) stopped
T01 >> 1462340882.08506989 libvdwxc nonlocal (1464.06619s) started
T01 << 1462340888.51462102 libvdwxc nonlocal (1470.49575s) stopped
T01 >> 1462340888.51469803 redistribute (259.69237s) started
T01 << 1462340889.28851199 redistribute (260.46618s) stopped
T01 << 1462340889.28993201 van der Waals (2265.25978s) stopped
T01 << 1462340889.47336602 XC 3D grid (2347.96000s) stopped
T01 >> 1462340889.47341394 Poisson (500.69417s) started
T01 << 1462340891.24790692 Poisson (502.46867s) stopped
T01 >> 1462340891.24798107 Hartree integrate/restrict (18.41309s) started
T01 << 1462340891.26290011 Hartree integrate/restrict (18.42801s) stopped
T01 >> 1462340891.26296806 Hartree integrate/restrict (18.42806s) started
T01 << 1462340891.32909298 Hartree integrate/restrict (18.49418s) stopped
T01 >> 1462340891.35071993 Atomic (1442.82286s) started
T01 >> 1462340891.36070704 XC Correction (1439.91545s) started
T01 << 1462340897.53739691 XC Correction (1446.09214s) stopped
T01 << 1462340897.54037690 Atomic (1449.01251s) stopped
T01 >> 1462340897.54050207 Communicate (1092.41703s) started
T01 << 1462340902.81060910 Communicate (1097.68713s) stopped
T01 << 1462340902.81063700 Hamiltonian (5423.54888s) stopped
T01 >> 1462340902.81070495 LCAO eigensolver (1938.78607s) started
T01 >> 1462340902.81071901 Potential matrix (61.56102s) started
T01 << 1462340903.06580591 Potential matrix (61.81611s) stopped
T01 >> 1462340903.06587005 DistributedAtomicCorrection (323.34032s) started
T01 << 1462340904.37264800 DistributedAtomicCorrection (324.64709s) stopped
T01 >> 1462340904.37270904 Distribute overlap matrix (277.80722s) started
T01 >> 1462340904.37273002 blocked summation (263.47680s) started
T01 << 1462340905.50294495 blocked summation (264.60702s) stopped
T01 >> 1462340905.50455093 Scalapack redistribute (13.99836s) started
T01 << 1462340905.56399703 Scalapack redistribute (14.05781s) stopped
T01 << 1462340905.56406403 Distribute overlap matrix (278.99858s) stopped
T01 >> 1462340905.56462193 Blacs Orbital Layouts (662.30946s) started
T01 >> 1462340905.56597304 General diagonalize (649.28355s) started
T01 << 1462340908.25681400 General diagonalize (651.97439s) stopped
T01 >> 1462340908.25686693 Redistribute coefs (0.67267s) started
T01 << 1462340908.25881696 Redistribute coefs (0.67462s) stopped
T01 >> 1462340908.25888491 Send coefs to domains (12.00957s) started
T01 << 1462340908.31404710 Send coefs to domains (12.06474s) stopped
T01 << 1462340908.31435609 Blacs Orbital Layouts (665.05920s) stopped
T01 >> 1462340908.31440401 Calculate projections (613.56698s) started
T01 << 1462340910.79365110 Calculate projections (616.04623s) stopped
T01 << 1462340910.79390407 LCAO eigensolver (1946.76927s) stopped
T01 >> 1462340910.79454398 Density (476.52375s) started
T01 >> 1462340910.79455590 Pseudo density (393.53289s) started
T01 >> 1462340910.79487896 Calculate density matrix (354.00990s) started
T01 << 1462340912.38062310 Calculate density matrix (355.59565s) stopped
T01 >> 1462340912.38071394 Construct density (38.97687s) started
T01 << 1462340912.54844093 Construct density (39.14460s) stopped
T01 >> 1462340912.54957700 Symmetrize density (0.00976s) started
T01 << 1462340912.54960704 Symmetrize density (0.00979s) stopped
T01 << 1462340912.54996991 Pseudo density (395.28830s) stopped
T01 >> 1462340912.54998994 Atomic density matrices (54.91247s) started
T01 << 1462340912.78787303 Atomic density matrices (55.15036s) stopped
T01 >> 1462340912.78790689 Multipole moments (0.87802s) started
T01 << 1462340912.79222989 Multipole moments (0.88235s) stopped
T01 >> 1462340912.79225206 Normalize (0.23783s) started
T01 << 1462340912.79323602 Normalize (0.23881s) stopped
T01 >> 1462340912.79326797 Mix (26.94777s) started
T01 << 1462340912.90911603 Mix (27.06362s) stopped
T01 << 1462340912.90919590 Density (478.63840s) stopped
T01 >> 1462340912.90930200 Hamiltonian (5423.54890s) started
T01 >> 1462340912.90932107 vbar (2.76197s) started
T01 << 1462340912.92312694 vbar (2.77578s) stopped
T01 >> 1462340912.92319489 XC 3D grid (2347.96004s) started
T01 >> 1462340913.09501505 van der Waals (2265.25983s) started
T01 >> 1462340913.13526511 semilocal (517.15972s) started
T01 << 1462340915.33962798 semilocal (519.36408s) stopped
T01 >> 1462340915.37236595 redistribute (260.46621s) started
T01 << 1462340915.77048707 redistribute (260.86434s) stopped
T01 >> 1462340915.77054405 libvdwxc nonlocal (1470.49579s) started
T01 << 1462340922.19197392 libvdwxc nonlocal (1476.91722s) stopped
T01 >> 1462340922.19205499 redistribute (260.86437s) started
T01 << 1462340922.96262789 redistribute (261.63494s) stopped
T01 << 1462340922.96381092 van der Waals (2275.12863s) stopped
T01 << 1462340923.14687991 XC 3D grid (2358.18373s) stopped
T01 >> 1462340923.14692807 Poisson (502.46873s) started
T01 << 1462340924.33694005 Poisson (503.65874s) stopped
T01 >> 1462340924.33702588 Hartree integrate/restrict (18.49421s) started
T01 << 1462340924.35166907 Hartree integrate/restrict (18.50885s) stopped
T01 >> 1462340924.35179496 Hartree integrate/restrict (18.50894s) started
T01 << 1462340924.41878009 Hartree integrate/restrict (18.57592s) stopped
T01 >> 1462340924.44079089 Atomic (1449.01253s) started
T01 >> 1462340924.45055699 XC Correction (1446.09216s) started
T01 << 1462340930.61554599 XC Correction (1452.25715s) stopped
T01 << 1462340930.61852098 Atomic (1455.19026s) stopped
T01 >> 1462340930.61864400 Communicate (1097.68715s) started
T01 << 1462340935.90623212 Communicate (1102.97474s) stopped
T01 << 1462340935.90625596 Hamiltonian (5446.54585s) stopped
T01 >> 1462340935.90631890 LCAO eigensolver (1946.76929s) started
T01 >> 1462340935.90633297 Potential matrix (61.81615s) started
T01 << 1462340936.15984201 Potential matrix (62.06965s) stopped
T01 >> 1462340936.15990305 DistributedAtomicCorrection (324.64713s) started
T01 << 1462340937.46979189 DistributedAtomicCorrection (325.95701s) stopped
T01 >> 1462340937.46985292 Distribute overlap matrix (278.99859s) started
T01 >> 1462340937.46987391 blocked summation (264.60705s) started
T01 << 1462340938.60517597 blocked summation (265.74235s) stopped
T01 >> 1462340938.60596704 Scalapack redistribute (14.05784s) started
T01 << 1462340938.66609406 Scalapack redistribute (14.11796s) stopped
T01 << 1462340938.66615796 Distribute overlap matrix (280.19489s) stopped
T01 >> 1462340938.66673112 Blacs Orbital Layouts (665.05922s) started
T01 >> 1462340938.66808105 General diagonalize (651.97443s) started
T01 << 1462340941.37802100 General diagonalize (654.68437s) stopped
T01 >> 1462340941.37807393 Redistribute coefs (0.67465s) started
T01 << 1462340941.38127303 Redistribute coefs (0.67785s) stopped
T01 >> 1462340941.38130999 Send coefs to domains (12.06479s) started
T01 << 1462340941.43306303 Send coefs to domains (12.11655s) stopped
T01 << 1462340941.43336797 Blacs Orbital Layouts (667.82585s) stopped
T01 >> 1462340941.43341088 Calculate projections (616.04627s) started
T01 << 1462340943.91283703 Calculate projections (618.52570s) stopped
T01 << 1462340943.91290307 LCAO eigensolver (1954.77587s) stopped
T01 >> 1462340943.91359305 Density (478.63842s) started
T01 >> 1462340943.91360497 Pseudo density (395.28831s) started
T01 >> 1462340943.91392708 Calculate density matrix (355.59570s) started
T01 << 1462340945.50265694 Calculate density matrix (357.18443s) stopped
T01 >> 1462340945.50274801 Construct density (39.14463s) started
T01 << 1462340945.67047811 Construct density (39.31236s) stopped
T01 >> 1462340945.67158699 Symmetrize density (0.00980s) started
T01 << 1462340945.67162108 Symmetrize density (0.00983s) stopped
T01 << 1462340945.67197895 Pseudo density (397.04669s) stopped
T01 >> 1462340945.67199898 Atomic density matrices (55.15038s) started
T01 << 1462340945.90944099 Atomic density matrices (55.38782s) stopped
T01 >> 1462340945.90947509 Multipole moments (0.88236s) started
T01 << 1462340945.91382909 Multipole moments (0.88672s) stopped
T01 >> 1462340945.91385007 Normalize (0.23883s) started
T01 << 1462340945.91481900 Normalize (0.23980s) stopped
T01 >> 1462340945.91485596 Mix (27.06369s) started
T01 << 1462340946.03035402 Mix (27.17919s) stopped
T01 << 1462340946.03042889 Density (480.75525s) stopped
T01 >> 1462340946.03051996 Hamiltonian (5446.54586s) started
T01 >> 1462340946.03053904 vbar (2.77581s) started
T01 << 1462340946.04450107 vbar (2.78978s) stopped
T01 >> 1462340946.04457688 XC 3D grid (2358.18376s) started
T01 >> 1462340946.22686100 van der Waals (2275.12866s) started
T01 >> 1462340946.26846194 semilocal (519.36417s) started
T01 << 1462340948.50107598 semilocal (521.59678s) stopped
T01 >> 1462340948.53248000 redistribute (261.63498s) started
T01 << 1462340948.91272998 redistribute (262.01523s) stopped
T01 >> 1462340948.91278601 libvdwxc nonlocal (1476.91727s) started
T01 << 1462340955.34865689 libvdwxc nonlocal (1483.35314s) stopped
T01 >> 1462340955.34873700 redistribute (262.01526s) started
T01 << 1462340956.12668610 redistribute (262.79321s) stopped
T01 << 1462340956.12854910 van der Waals (2285.03035s) stopped
T01 << 1462340956.30106592 XC 3D grid (2368.44025s) stopped
T01 >> 1462340956.30111909 Poisson (503.65880s) started
T01 << 1462340957.49712491 Poisson (504.85481s) stopped
T01 >> 1462340957.49720097 Hartree integrate/restrict (18.57595s) started
T01 << 1462340957.51203895 Hartree integrate/restrict (18.59079s) stopped
T01 >> 1462340957.51208806 Hartree integrate/restrict (18.59083s) started
T01 << 1462340957.57827497 Hartree integrate/restrict (18.65701s) stopped
T01 >> 1462340957.59610009 Atomic (1455.19028s) started
T01 >> 1462340957.60593390 XC Correction (1452.25717s) started
T01 << 1462340963.81902194 XC Correction (1458.47026s) stopped
T01 << 1462340963.82200599 Atomic (1461.41618s) stopped
T01 >> 1462340963.82212996 Communicate (1102.97475s) started
T01 << 1462340969.03950500 Communicate (1108.19213s) stopped
T01 << 1462340969.03953004 Hamiltonian (5469.55487s) stopped
T01 >> 1462340969.03959489 LCAO eigensolver (1954.77589s) started
T01 >> 1462340969.03960800 Potential matrix (62.06969s) started
T01 << 1462340969.29373002 Potential matrix (62.32381s) stopped
T01 >> 1462340969.29379106 DistributedAtomicCorrection (325.95704s) started
T01 << 1462340970.61733603 DistributedAtomicCorrection (327.28059s) stopped
T01 >> 1462340970.61739612 Distribute overlap matrix (280.19490s) started
T01 >> 1462340970.61741710 blocked summation (265.74239s) started
T01 << 1462340971.74117303 blocked summation (266.86614s) stopped
T01 >> 1462340971.74288988 Scalapack redistribute (14.11799s) started
T01 << 1462340971.80350399 Scalapack redistribute (14.17861s) stopped
T01 << 1462340971.80357003 Distribute overlap matrix (281.38108s) stopped
T01 >> 1462340971.80413604 Blacs Orbital Layouts (667.82587s) started
T01 >> 1462340971.80549097 General diagonalize (654.68440s) started
T01 << 1462340974.48748398 General diagonalize (657.36639s) stopped
T01 >> 1462340974.48753691 Redistribute coefs (0.67788s) started
T01 << 1462340974.49071503 Redistribute coefs (0.68106s) stopped
T01 >> 1462340974.49075103 Send coefs to domains (12.11660s) started
T01 << 1462340974.54327798 Send coefs to domains (12.16913s) stopped
T01 << 1462340974.54360199 Blacs Orbital Layouts (670.56534s) stopped
T01 >> 1462340974.54364896 Calculate projections (618.52574s) started
T01 << 1462340977.02449203 Calculate projections (621.00659s) stopped
T01 << 1462340977.02474809 LCAO eigensolver (1962.76104s) stopped
T01 << 1462340977.02540588 SCF-cycle (7913.26666s) stopped
T01 >> 1462340977.91173911 Force calculation (287.64136s) started
T01 >> 1462340977.91179109 LCAO forces (184.66384s) started
T01 >> 1462340977.91212201 Initial (0.00022s) started
T01 << 1462340977.91213298 Initial (0.00023s) stopped
T01 >> 1462340977.91653395 Get density matrix (35.38535s) started
T01 << 1462340978.51912093 Get density matrix (35.98794s) stopped
T01 >> 1462340978.51917100 Potential (13.37058s) started
T01 << 1462340979.85591888 Potential (14.70733s) stopped
T01 >> 1462340979.85598111 Get density matrix (35.98797s) started
T01 << 1462340983.02237105 Get density matrix (39.15436s) stopped
T01 >> 1462340983.02247095 Prepare TCI loop (19.02502s) started
T01 >> 1462340983.02290511 Get neighbors (16.08822s) started
T01 << 1462340984.60171700 Get neighbors (17.66703s) stopped
T01 >> 1462340984.60194206 broadcast dH (2.93002s) started
T01 << 1462340984.85102296 broadcast dH (3.17910s) stopped
T01 << 1462340984.85106492 Prepare TCI loop (20.85362s) stopped
T01 >> 1462340984.85108304 Not so complicated loop (25.61561s) started
T01 << 1462340987.47483492 Not so complicated loop (28.23936s) stopped
T01 >> 1462340987.57403588 Complicated loop (90.07964s) started
T01 << 1462340996.62145805 Complicated loop (99.12706s) stopped
T01 >> 1462340996.63414097 Wait for sum (0.00050s) started
T01 << 1462340996.63418198 Wait for sum (0.00054s) stopped
T01 << 1462340996.63419390 LCAO forces (203.38624s) stopped
T01 << 1462341006.91518402 Force calculation (316.64481s) stopped
T01 >> 1462341006.93246508 Initialization (546.47274s) started
T01 << 1462341006.93263412 Initialization (546.47291s) stopped
T01 >> 1462341006.93285203 Initialization (546.47293s) started
T01 << 1462341006.93298197 Initialization (546.47306s) stopped
T01 >> 1462341006.93311596 Initialization (546.47307s) started
T01 << 1462341006.93324590 Initialization (546.47320s) stopped
T01 >> 1462341027.29229593 Initialization (546.47322s) started
T01 >> 1462341027.36224890 Basic WFS set positions (1.04364s) started
T01 >> 1462341027.36227298 Redistribute (0.02006s) started
T01 << 1462341027.36730099 Redistribute (0.02509s) stopped
T01 << 1462341027.46332097 Basic WFS set positions (1.14471s) stopped
T01 >> 1462341027.46335506 Basis functions set positions (4.66832s) started
T01 << 1462341027.88436198 Basis functions set positions (5.08933s) stopped
T01 >> 1462341027.88560200 TCI: Calculate S, T, P (161.81856s) started
T01 << 1462341042.73422909 TCI: Calculate S, T, P (176.66718s) stopped
T01 >> 1462341042.73429608 blocked summation (44.20236s) started
T01 << 1462341047.04256511 blocked summation (48.51063s) stopped
T01 >> 1462341047.04411411 Scalapack redistribute (2.06541s) started
T01 << 1462341047.10285807 Scalapack redistribute (2.12416s) stopped
T01 >> 1462341047.10322690 blocked summation (48.51067s) started
T01 << 1462341047.27196097 blocked summation (48.67940s) stopped
T01 >> 1462341047.27354693 Scalapack redistribute (2.12420s) started
T01 << 1462341047.47452497 Scalapack redistribute (2.32518s) stopped
T01 >> 1462341047.47580910 Redistribute (0.01988s) started
T01 << 1462341047.47674108 Redistribute (0.02081s) stopped
T01 >> 1462341048.40977907 Redistribute (0.02082s) started
T01 << 1462341048.41069508 Redistribute (0.02174s) stopped
T01 >> 1462341048.41896391 LCAO WFS Initialize (319.84151s) started
T01 >> 1462341048.41898894 Density initialize from wavefunctions (11.97987s) started
T01 >> 1462341048.41934896 Calculate density matrix (6.99054s) started
T01 << 1462341049.13195801 Calculate density matrix (7.70315s) stopped
T01 >> 1462341049.13203406 Construct density (1.67864s) started
T01 << 1462341049.30064297 Construct density (1.84725s) stopped
T01 >> 1462341049.30195403 Symmetrize density (0.00041s) started
T01 << 1462341049.30198503 Symmetrize density (0.00044s) stopped
T01 << 1462341049.63691902 Density initialize from wavefunctions (13.19780s) stopped
T01 >> 1462341049.63745809 Hamiltonian (307.66064s) started
T01 >> 1462341049.63749003 vbar (0.13695s) started
T01 << 1462341049.65025806 vbar (0.14972s) stopped
T01 >> 1462341049.65034103 XC 3D grid (111.15042s) started
T01 >> 1462341049.83397198 van der Waals (107.23804s) started
T01 >> 1462341049.87464094 semilocal (24.50110s) started
T01 << 1462341052.09298205 semilocal (26.71944s) stopped
T01 >> 1462341052.12394190 redistribute (12.29734s) started
T01 << 1462341052.52165699 redistribute (12.69506s) stopped
T01 >> 1462341052.52169800 libvdwxc nonlocal (69.63156s) started
T01 << 1462341058.95854592 libvdwxc nonlocal (76.06841s) stopped
T01 >> 1462341058.95860791 redistribute (12.69509s) started
T01 << 1462341059.73583293 redistribute (13.47231s) stopped
T01 << 1462341059.73709798 van der Waals (117.14117s) stopped
T01 << 1462341059.91756701 XC 3D grid (121.41765s) stopped
T01 >> 1462341059.91760707 Poisson (53.35079s) started
T01 << 1462341064.57309294 Poisson (58.00628s) stopped
T01 >> 1462341064.57315111 Hartree integrate/restrict (0.87307s) started
T01 << 1462341064.58777690 Hartree integrate/restrict (0.88769s) stopped
T01 >> 1462341064.58786798 Hartree integrate/restrict (0.88776s) started
T01 << 1462341064.65420508 Hartree integrate/restrict (0.95409s) stopped
T01 >> 1462341064.67626190 Atomic (72.81244s) started
T01 >> 1462341064.68618989 XC Correction (72.67291s) started
T01 << 1462341071.02887797 XC Correction (79.01559s) stopped
T01 << 1462341071.03180790 Atomic (79.16799s) stopped
T01 >> 1462341071.03196192 Communicate (69.07506s) started
T01 << 1462341077.34984899 Communicate (75.39295s) stopped
T01 << 1462341077.34987593 Hamiltonian (335.37306s) stopped
T01 << 1462341077.34991693 LCAO WFS Initialize (348.77246s) stopped
T01 << 1462341077.36181903 Initialization (596.54274s) stopped
T01 >> 1462341077.38582706 SCF-cycle (7913.26668s) started
T01 >> 1462341077.38585997 LCAO eigensolver (1962.76106s) started
T01 >> 1462341077.38587189 Potential matrix (62.32384s) started
T01 << 1462341077.64098406 Potential matrix (62.57896s) stopped
T01 >> 1462341077.64104700 DistributedAtomicCorrection (327.28062s) started
T01 << 1462341078.91322994 DistributedAtomicCorrection (328.55280s) stopped
T01 >> 1462341078.91328597 Distribute overlap matrix (281.38109s) started
T01 >> 1462341078.91330600 blocked summation (266.86617s) started
T01 << 1462341080.04452109 blocked summation (267.99739s) stopped
T01 >> 1462341080.04529500 Scalapack redistribute (14.17864s) started
T01 << 1462341080.09899998 Scalapack redistribute (14.23234s) stopped
T01 << 1462341080.09908509 Distribute overlap matrix (282.56689s) stopped
T01 >> 1462341080.09968209 Blacs Orbital Layouts (670.56535s) started
T01 >> 1462341080.10027194 General diagonalize (657.36642s) started
T01 << 1462341082.79818201 General diagonalize (660.06433s) stopped
T01 >> 1462341082.79822302 Redistribute coefs (0.68109s) started
T01 << 1462341082.80064988 Redistribute coefs (0.68352s) stopped
T01 >> 1462341082.80069089 Send coefs to domains (12.16919s) started
T01 << 1462341082.85329294 Send coefs to domains (12.22179s) stopped
T01 << 1462341082.85336399 Blacs Orbital Layouts (673.31904s) stopped
T01 >> 1462341082.85338807 Calculate projections (621.00664s) started
T01 << 1462341085.31125903 Calculate projections (623.46451s) stopped
T01 << 1462341085.31132603 LCAO eigensolver (1970.68652s) stopped
T01 >> 1462341085.31193805 Density (480.75527s) started
T01 >> 1462341085.31194997 Pseudo density (397.04670s) started
T01 >> 1462341085.31229401 Calculate density matrix (357.18449s) started
T01 << 1462341086.90591598 Calculate density matrix (358.77811s) stopped
T01 >> 1462341086.90599704 Construct density (39.31240s) started
T01 << 1462341087.07571507 Construct density (39.48211s) stopped
T01 >> 1462341087.07683992 Symmetrize density (0.00985s) started
T01 << 1462341087.07686996 Symmetrize density (0.00988s) stopped
T01 << 1462341087.07723808 Pseudo density (398.81199s) stopped
T01 >> 1462341087.07725692 Atomic density matrices (55.38784s) started
T01 << 1462341087.31736708 Atomic density matrices (55.62795s) stopped
T01 >> 1462341087.31740189 Multipole moments (0.88673s) started
T01 << 1462341087.32150006 Multipole moments (0.89083s) stopped
T01 >> 1462341087.32152200 Normalize (0.23983s) started
T01 << 1462341087.32249689 Normalize (0.24080s) stopped
T01 >> 1462341087.32254004 Mix (27.17926s) started
T01 << 1462341087.42413712 Mix (27.28086s) stopped
T01 << 1462341087.42420411 Density (482.86753s) stopped
T01 >> 1462341087.42430902 Hamiltonian (5469.55489s) started
T01 >> 1462341087.42433000 vbar (2.78982s) started
T01 << 1462341087.43814397 vbar (2.80363s) stopped
T01 >> 1462341087.43821406 XC 3D grid (2368.44030s) started
T01 >> 1462341087.61383510 van der Waals (2285.03046s) started
T01 >> 1462341087.65519500 semilocal (521.59687s) started
T01 << 1462341089.83989811 semilocal (523.78158s) stopped
T01 >> 1462341089.87460089 redistribute (262.79331s) started
T01 << 1462341090.28567410 redistribute (263.20438s) stopped
T01 >> 1462341090.28571510 libvdwxc nonlocal (1483.35319s) started
T01 << 1462341096.74255800 libvdwxc nonlocal (1489.81003s) stopped
T01 >> 1462341096.74262404 redistribute (263.20441s) started
T01 << 1462341097.51768494 redistribute (263.97947s) stopped
T01 << 1462341097.51893711 van der Waals (2294.93556s) stopped
T01 << 1462341097.69848490 XC 3D grid (2378.70057s) stopped
T01 >> 1462341097.69853401 Poisson (504.85487s) started
T01 << 1462341100.05421400 Poisson (507.21055s) stopped
T01 >> 1462341100.05434299 Hartree integrate/restrict (18.65705s) started
T01 << 1462341100.06927490 Hartree integrate/restrict (18.67198s) stopped
T01 >> 1462341100.06936312 Hartree integrate/restrict (18.67205s) started
T01 << 1462341100.13528109 Hartree integrate/restrict (18.73797s) stopped
T01 >> 1462341100.15311289 Atomic (1461.41620s) started
T01 >> 1462341100.16268897 XC Correction (1458.47028s) started
T01 << 1462341106.52394795 XC Correction (1464.83154s) stopped
T01 << 1462341106.52683997 Atomic (1467.78993s) stopped
T01 >> 1462341106.52693105 Communicate (1108.19215s) started
T01 << 1462341112.15503907 Communicate (1113.82025s) stopped
T01 << 1462341112.15506697 Hamiltonian (5494.28564s) stopped
T01 >> 1462341112.15512300 LCAO eigensolver (1970.68653s) started
T01 >> 1462341112.15513706 Potential matrix (62.57899s) started
T01 << 1462341112.40833902 Potential matrix (62.83219s) stopped
T01 >> 1462341112.40840197 DistributedAtomicCorrection (328.55283s) started
T01 << 1462341113.67873406 DistributedAtomicCorrection (329.82317s) stopped
T01 >> 1462341113.67878890 Distribute overlap matrix (282.56690s) started
T01 >> 1462341113.67880988 blocked summation (267.99742s) started
T01 << 1462341114.81029510 blocked summation (269.12890s) stopped
T01 >> 1462341114.81107402 Scalapack redistribute (14.23237s) started
T01 << 1462341114.86285591 Scalapack redistribute (14.28415s) stopped
T01 << 1462341114.86292410 Distribute overlap matrix (283.75104s) stopped
T01 >> 1462341114.86351609 Blacs Orbital Layouts (673.31905s) started
T01 >> 1462341114.86410999 General diagonalize (660.06436s) started
T01 << 1462341117.57200789 General diagonalize (662.77226s) stopped
T01 >> 1462341117.57204890 Redistribute coefs (0.68354s) started
T01 << 1462341117.57421803 Redistribute coefs (0.68571s) stopped
T01 >> 1462341117.57425809 Send coefs to domains (12.22185s) started
T01 << 1462341117.62727690 Send coefs to domains (12.27487s) stopped
T01 << 1462341117.62735295 Blacs Orbital Layouts (676.08288s) stopped
T01 >> 1462341117.62738991 Calculate projections (623.46456s) started
T01 << 1462341120.08531499 Calculate projections (625.92248s) stopped
T01 << 1462341120.08538103 LCAO eigensolver (1978.61679s) stopped
T01 >> 1462341120.08600092 Density (482.86755s) started
T01 >> 1462341120.08601403 Pseudo density (398.81201s) started
T01 >> 1462341120.08636403 Calculate density matrix (358.77817s) started
T01 << 1462341121.68664694 Calculate density matrix (360.37845s) stopped
T01 >> 1462341121.68672705 Construct density (39.48215s) started
T01 << 1462341121.85484195 Construct density (39.65027s) stopped
T01 >> 1462341121.85595798 Symmetrize density (0.00989s) started
T01 << 1462341121.85598898 Symmetrize density (0.00992s) stopped
T01 << 1462341121.85634589 Pseudo density (400.58234s) stopped
T01 >> 1462341121.85636592 Atomic density matrices (55.62798s) started
T01 << 1462341122.09755898 Atomic density matrices (55.86917s) stopped
T01 >> 1462341122.09759402 Multipole moments (0.89084s) started
T01 << 1462341122.10172105 Multipole moments (0.89497s) stopped
T01 >> 1462341122.10174298 Normalize (0.24084s) started
T01 << 1462341122.10270405 Normalize (0.24180s) stopped
T01 >> 1462341122.10274696 Mix (27.28092s) started
T01 << 1462341122.20769691 Mix (27.38587s) stopped
T01 << 1462341122.20774388 Density (484.98929s) stopped
T01 >> 1462341122.20784211 Hamiltonian (5494.28566s) started
T01 >> 1462341122.20786095 vbar (2.80367s) started
T01 << 1462341122.22181010 vbar (2.81762s) stopped
T01 >> 1462341122.22187090 XC 3D grid (2378.70060s) started
T01 >> 1462341122.40295196 van der Waals (2294.93559s) started
T01 >> 1462341122.44233608 semilocal (523.78166s) started
T01 << 1462341124.65632010 semilocal (525.99565s) stopped
T01 >> 1462341124.68870401 redistribute (263.97950s) started
T01 << 1462341125.07994294 redistribute (264.37074s) stopped
T01 >> 1462341125.07998395 libvdwxc nonlocal (1489.81008s) started
T01 << 1462341131.48457503 libvdwxc nonlocal (1496.21467s) stopped
T01 >> 1462341131.48464394 redistribute (264.37077s) started
T01 << 1462341132.26291394 redistribute (265.14904s) stopped
T01 << 1462341132.26408696 van der Waals (2304.79672s) stopped
T01 << 1462341132.44669390 XC 3D grid (2388.92543s) stopped
T01 >> 1462341132.44673491 Poisson (507.21066s) started
T01 << 1462341134.79377794 Poisson (509.55771s) stopped
T01 >> 1462341134.79385805 Hartree integrate/restrict (18.73800s) started
T01 << 1462341134.80859804 Hartree integrate/restrict (18.75274s) stopped
T01 >> 1462341134.80864692 Hartree integrate/restrict (18.75277s) started
T01 << 1462341134.87409091 Hartree integrate/restrict (18.81822s) stopped
T01 >> 1462341134.89766598 Atomic (1467.78995s) started
T01 >> 1462341134.90718389 XC Correction (1464.83156s) started
T01 << 1462341141.09373689 XC Correction (1471.01811s) stopped
T01 << 1462341141.09661508 Atomic (1473.98889s) stopped
T01 >> 1462341141.09670401 Communicate (1113.82027s) started
T01 << 1462341146.23444390 Communicate (1118.95801s) stopped
T01 << 1462341146.23447108 Hamiltonian (5518.31228s) stopped
T01 >> 1462341146.23452401 LCAO eigensolver (1978.61680s) started
T01 >> 1462341146.23453808 Potential matrix (62.83223s) started
T01 << 1462341146.48985791 Potential matrix (63.08755s) stopped
T01 >> 1462341146.48991895 DistributedAtomicCorrection (329.82320s) started
T01 << 1462341147.77013493 DistributedAtomicCorrection (331.10341s) stopped
T01 >> 1462341147.77019191 Distribute overlap matrix (283.75105s) started
T01 >> 1462341147.77021289 blocked summation (269.12894s) started
T01 << 1462341148.88703799 blocked summation (270.24576s) stopped
T01 >> 1462341148.88781500 Scalapack redistribute (14.28418s) started
T01 << 1462341148.94082808 Scalapack redistribute (14.33719s) stopped
T01 << 1462341148.94089794 Distribute overlap matrix (284.92175s) stopped
T01 >> 1462341148.94149590 Blacs Orbital Layouts (676.08289s) started
T01 >> 1462341148.94209409 General diagonalize (662.77229s) started
T01 << 1462341151.64829993 General diagonalize (665.47850s) stopped
T01 >> 1462341151.64834094 Redistribute coefs (0.68574s) started
T01 << 1462341151.65074801 Redistribute coefs (0.68815s) stopped
T01 >> 1462341151.65078712 Send coefs to domains (12.27493s) started
T01 << 1462341151.70352197 Send coefs to domains (12.32766s) stopped
T01 << 1462341151.70359993 Blacs Orbital Layouts (678.84500s) stopped
T01 >> 1462341151.70364404 Calculate projections (625.92253s) started
T01 << 1462341154.16138196 Calculate projections (628.38026s) stopped
T01 << 1462341154.16144800 LCAO eigensolver (1986.54373s) stopped
T01 >> 1462341154.16212797 Density (484.98931s) started
T01 >> 1462341154.16214108 Pseudo density (400.58235s) started
T01 >> 1462341154.16248608 Calculate density matrix (360.37851s) started
T01 << 1462341155.76204991 Calculate density matrix (361.97807s) stopped
T01 >> 1462341155.76214504 Construct density (39.65030s) started
T01 << 1462341155.93020010 Construct density (39.81836s) stopped
T01 >> 1462341155.93131804 Symmetrize density (0.00993s) started
T01 << 1462341155.93134689 Symmetrize density (0.00996s) stopped
T01 << 1462341155.93172407 Pseudo density (402.35194s) stopped
T01 >> 1462341155.93174410 Atomic density matrices (55.86919s) started
T01 << 1462341156.17115092 Atomic density matrices (56.10860s) stopped
T01 >> 1462341156.17118597 Multipole moments (0.89499s) started
T01 << 1462341156.17530894 Multipole moments (0.89911s) stopped
T01 >> 1462341156.17533112 Normalize (0.24183s) started
T01 << 1462341156.17630506 Normalize (0.24281s) stopped
T01 >> 1462341156.17634606 Mix (27.38592s) started
T01 << 1462341156.28420401 Mix (27.49378s) stopped
T01 << 1462341156.28425908 Density (487.11144s) stopped
T01 >> 1462341156.28434610 Hamiltonian (5518.31230s) started
T01 >> 1462341156.28436708 vbar (2.81766s) started
T01 << 1462341156.29845810 vbar (2.83175s) stopped
T01 >> 1462341156.29853511 XC 3D grid (2388.92546s) started
T01 >> 1462341156.47230792 van der Waals (2304.79677s) started
T01 >> 1462341156.51404190 semilocal (525.99575s) started
T01 << 1462341158.71816611 semilocal (528.19988s) stopped
T01 >> 1462341158.74928093 redistribute (265.14908s) started
T01 << 1462341159.15379405 redistribute (265.55359s) stopped
T01 >> 1462341159.15383410 libvdwxc nonlocal (1496.21473s) started
T01 << 1462341165.56227398 libvdwxc nonlocal (1502.62317s) stopped
T01 >> 1462341165.56235290 redistribute (265.55362s) started
T01 << 1462341166.34441900 redistribute (266.33569s) stopped
T01 << 1462341166.34567809 van der Waals (2314.67014s) stopped
T01 << 1462341166.52894211 XC 3D grid (2399.15586s) stopped
T01 >> 1462341166.52898002 Poisson (509.55777s) started
T01 << 1462341169.46810102 Poisson (512.49689s) stopped
T01 >> 1462341169.46818089 Hartree integrate/restrict (18.81824s) started
T01 << 1462341169.48302889 Hartree integrate/restrict (18.83309s) stopped
T01 >> 1462341169.48309803 Hartree integrate/restrict (18.83314s) started
T01 << 1462341169.54974604 Hartree integrate/restrict (18.89979s) stopped
T01 >> 1462341169.57264709 Atomic (1473.98891s) started
T01 >> 1462341169.58222508 XC Correction (1471.01813s) started
T01 << 1462341175.54780293 XC Correction (1476.98371s) stopped
T01 << 1462341175.55069399 Atomic (1479.96696s) stopped
T01 >> 1462341175.55079007 Communicate (1118.95803s) started
T01 << 1462341180.39830399 Communicate (1123.80554s) stopped
T01 << 1462341180.39833212 Hamiltonian (5542.42628s) stopped
T01 >> 1462341180.39838791 LCAO eigensolver (1986.54374s) started
T01 >> 1462341180.39840102 Potential matrix (63.08758s) started
T01 << 1462341180.65288496 Potential matrix (63.34207s) stopped
T01 >> 1462341180.65295196 DistributedAtomicCorrection (331.10345s) started
T01 << 1462341181.94886303 DistributedAtomicCorrection (332.39936s) stopped
T01 >> 1462341181.94892502 Distribute overlap matrix (284.92177s) started
T01 >> 1462341181.94894600 blocked summation (270.24579s) started
T01 << 1462341183.05766106 blocked summation (271.35451s) stopped
T01 >> 1462341183.05842900 Scalapack redistribute (14.33723s) started
T01 << 1462341183.11048198 Scalapack redistribute (14.38928s) stopped
T01 << 1462341183.11054993 Distribute overlap matrix (286.08339s) stopped
T01 >> 1462341183.11114001 Blacs Orbital Layouts (678.84501s) started
T01 >> 1462341183.11172390 General diagonalize (665.47853s) started
T01 << 1462341185.80554891 General diagonalize (668.17236s) stopped
T01 >> 1462341185.80559897 Redistribute coefs (0.68818s) started
T01 << 1462341185.80792689 Redistribute coefs (0.69051s) stopped
T01 >> 1462341185.80800390 Send coefs to domains (12.32773s) started
T01 << 1462341185.86274195 Send coefs to domains (12.38247s) stopped
T01 << 1462341185.86281490 Blacs Orbital Layouts (681.59669s) stopped
T01 >> 1462341185.86285591 Calculate projections (628.38031s) started
T01 << 1462341188.32206106 Calculate projections (630.83952s) stopped
T01 << 1462341188.32213402 LCAO eigensolver (1994.46749s) stopped
T01 >> 1462341188.32282400 Density (487.11145s) started
T01 >> 1462341188.32283711 Pseudo density (402.35195s) started
T01 >> 1462341188.32318401 Calculate density matrix (361.97813s) started
T01 << 1462341189.91760302 Calculate density matrix (363.57255s) stopped
T01 >> 1462341189.91770005 Construct density (39.81839s) started
T01 << 1462341190.08591199 Construct density (39.98660s) stopped
T01 >> 1462341190.08699989 Symmetrize density (0.00997s) started
T01 << 1462341190.08702898 Symmetrize density (0.01000s) stopped
T01 << 1462341190.08738995 Pseudo density (404.11650s) stopped
T01 >> 1462341190.08740902 Atomic density matrices (56.10862s) started
T01 << 1462341190.32713890 Atomic density matrices (56.34835s) stopped
T01 >> 1462341190.32717395 Multipole moments (0.89913s) started
T01 << 1462341190.33127689 Multipole moments (0.90323s) stopped
T01 >> 1462341190.33129907 Normalize (0.24284s) started
T01 << 1462341190.33225894 Normalize (0.24380s) stopped
T01 >> 1462341190.33229995 Mix (27.49383s) started
T01 << 1462341190.44351196 Mix (27.60504s) stopped
T01 << 1462341190.44356298 Density (489.23219s) stopped
T01 >> 1462341190.44365191 Hamiltonian (5542.42630s) started
T01 >> 1462341190.44367194 vbar (2.83179s) started
T01 << 1462341190.45766497 vbar (2.84578s) stopped
T01 >> 1462341190.45772409 XC 3D grid (2399.15589s) started
T01 >> 1462341190.63949895 van der Waals (2314.67017s) started
T01 >> 1462341190.68010092 semilocal (528.19997s) started
T01 << 1462341192.88511109 semilocal (530.40498s) stopped
T01 >> 1462341192.91749406 redistribute (266.33573s) started
T01 << 1462341193.31300998 redistribute (266.73124s) stopped
T01 >> 1462341193.31306791 libvdwxc nonlocal (1502.62322s) started
T01 << 1462341199.76356506 libvdwxc nonlocal (1509.07371s) stopped
T01 >> 1462341199.76364303 redistribute (266.73127s) started
T01 << 1462341200.54391289 redistribute (267.51154s) stopped
T01 << 1462341200.54506993 van der Waals (2324.57574s) stopped
T01 << 1462341200.72751808 XC 3D grid (2409.42569s) stopped
T01 >> 1462341200.72756910 Poisson (512.49695s) started
T01 << 1462341201.91858912 Poisson (513.68797s) stopped
T01 >> 1462341201.91868711 Hartree integrate/restrict (18.89981s) started
T01 << 1462341201.93346691 Hartree integrate/restrict (18.91459s) stopped
T01 >> 1462341201.93359590 Hartree integrate/restrict (18.91469s) started
T01 << 1462341202.00023198 Hartree integrate/restrict (18.98133s) stopped
T01 >> 1462341202.02399993 Atomic (1479.96698s) started
T01 >> 1462341202.03358006 XC Correction (1476.98373s) started
T01 << 1462341208.06674790 XC Correction (1483.01690s) stopped
T01 << 1462341208.06964397 Atomic (1486.01262s) stopped
T01 >> 1462341208.06972909 Communicate (1123.80556s) started
T01 << 1462341212.88277006 Communicate (1128.61860s) stopped
T01 << 1462341212.88279295 Hamiltonian (5564.86544s) stopped
T01 >> 1462341212.88284612 LCAO eigensolver (1994.46750s) started
T01 >> 1462341212.88285899 Potential matrix (63.34210s) started
T01 << 1462341213.13733196 Potential matrix (63.59658s) stopped
T01 >> 1462341213.13739300 DistributedAtomicCorrection (332.39939s) started
T01 << 1462341214.40747595 DistributedAtomicCorrection (333.66947s) stopped
T01 >> 1462341214.40753007 Distribute overlap matrix (286.08340s) started
T01 >> 1462341214.40755105 blocked summation (271.35454s) started
T01 << 1462341215.53015804 blocked summation (272.47715s) stopped
T01 >> 1462341215.53091693 Scalapack redistribute (14.38931s) started
T01 << 1462341215.58417201 Scalapack redistribute (14.44256s) stopped
T01 << 1462341215.58424401 Distribute overlap matrix (287.26012s) stopped
T01 >> 1462341215.58482909 Blacs Orbital Layouts (681.59670s) started
T01 >> 1462341215.58542395 General diagonalize (668.17239s) started
T01 << 1462341218.26846600 General diagonalize (670.85543s) stopped
T01 >> 1462341218.26851702 Redistribute coefs (0.69054s) started
T01 << 1462341218.27172303 Redistribute coefs (0.69374s) stopped
T01 >> 1462341218.27175903 Send coefs to domains (12.38253s) started
T01 << 1462341218.32400393 Send coefs to domains (12.43477s) stopped
T01 << 1462341218.32407904 Blacs Orbital Layouts (684.33595s) stopped
T01 >> 1462341218.32412100 Calculate projections (630.83957s) started
T01 << 1462341220.78188610 Calculate projections (633.29733s) stopped
T01 << 1462341220.78195405 LCAO eigensolver (2002.36661s) stopped
T01 >> 1462341220.78264308 Density (489.23220s) started
T01 >> 1462341220.78265500 Pseudo density (404.11652s) started
T01 >> 1462341220.78299999 Calculate density matrix (363.57260s) started
T01 << 1462341222.39189696 Calculate density matrix (365.18150s) stopped
T01 >> 1462341222.39199495 Construct density (39.98664s) started
T01 << 1462341222.56012392 Construct density (40.15476s) stopped
T01 >> 1462341222.56121802 Symmetrize density (0.01001s) started
T01 << 1462341222.56124711 Symmetrize density (0.01004s) stopped
T01 << 1462341222.56160498 Pseudo density (405.89547s) stopped
T01 >> 1462341222.56162906 Atomic density matrices (56.34838s) started
T01 << 1462341222.80171990 Atomic density matrices (56.58847s) stopped
T01 >> 1462341222.80175495 Multipole moments (0.90324s) started
T01 << 1462341222.80585790 Multipole moments (0.90735s) stopped
T01 >> 1462341222.80588102 Normalize (0.24383s) started
T01 << 1462341222.80684590 Normalize (0.24479s) stopped
T01 >> 1462341222.80688906 Mix (27.60509s) started
T01 << 1462341222.92244411 Mix (27.72065s) stopped
T01 << 1462341222.92248607 Density (491.37205s) stopped
T01 >> 1462341222.92257094 Hamiltonian (5564.86545s) started
T01 >> 1462341222.92259002 vbar (2.84581s) started
T01 << 1462341222.93671703 vbar (2.85994s) stopped
T01 >> 1462341222.93677306 XC 3D grid (2409.42573s) started
T01 >> 1462341223.12060189 van der Waals (2324.57577s) started
T01 >> 1462341223.15993190 semilocal (530.40506s) started
T01 << 1462341225.39191604 semilocal (532.63705s) stopped
T01 >> 1462341225.42271805 redistribute (267.51158s) started
T01 << 1462341225.80314493 redistribute (267.89201s) stopped
T01 >> 1462341225.80320001 libvdwxc nonlocal (1509.07376s) started
T01 << 1462341232.25357890 libvdwxc nonlocal (1515.52414s) stopped
T01 >> 1462341232.25365996 redistribute (267.89204s) started
T01 << 1462341233.03258491 redistribute (268.67096s) stopped
T01 << 1462341233.03361607 van der Waals (2334.48878s) stopped
T01 << 1462341233.21505499 XC 3D grid (2419.70401s) stopped
T01 >> 1462341233.21509409 Poisson (513.68805s) started
T01 << 1462341235.56902194 Poisson (516.04198s) stopped
T01 >> 1462341235.56910491 Hartree integrate/restrict (18.98135s) started
T01 << 1462341235.58401704 Hartree integrate/restrict (18.99627s) stopped
T01 >> 1462341235.58408189 Hartree integrate/restrict (18.99631s) started
T01 << 1462341235.65083194 Hartree integrate/restrict (19.06306s) stopped
T01 >> 1462341235.66871500 Atomic (1486.01264s) started
T01 >> 1462341235.67834306 XC Correction (1483.01692s) started
T01 << 1462341241.74913812 XC Correction (1489.08771s) stopped
T01 << 1462341241.75206804 Atomic (1492.09599s) stopped
T01 >> 1462341241.75215411 Communicate (1128.61862s) started
T01 << 1462341246.57734203 Communicate (1133.44381s) stopped
T01 << 1462341246.57736611 Hamiltonian (5588.52024s) stopped
T01 >> 1462341246.57742000 LCAO eigensolver (2002.36662s) started
T01 >> 1462341246.57743311 Potential matrix (63.59661s) started
T01 << 1462341246.83050203 Potential matrix (63.84968s) stopped
T01 >> 1462341246.83056402 DistributedAtomicCorrection (333.66950s) started
T01 << 1462341248.09868407 DistributedAtomicCorrection (334.93762s) stopped
T01 >> 1462341248.09873891 Distribute overlap matrix (287.26013s) started
T01 >> 1462341248.09875894 blocked summation (272.47718s) started
T01 << 1462341249.22615910 blocked summation (273.60458s) stopped
T01 >> 1462341249.22808099 Scalapack redistribute (14.44260s) started
T01 << 1462341249.28677607 Scalapack redistribute (14.50129s) stopped
T01 << 1462341249.28684497 Distribute overlap matrix (288.44823s) stopped
T01 >> 1462341249.28744507 Blacs Orbital Layouts (684.33596s) started
T01 >> 1462341249.28879499 General diagonalize (670.85546s) started
T01 << 1462341251.98427105 General diagonalize (673.55094s) stopped
T01 >> 1462341251.98432207 Redistribute coefs (0.69377s) started
T01 << 1462341251.98644805 Redistribute coefs (0.69590s) stopped
T01 >> 1462341251.98648691 Send coefs to domains (12.43483s) started
T01 << 1462341252.04002595 Send coefs to domains (12.48836s) stopped
T01 << 1462341252.04034400 Blacs Orbital Layouts (687.08886s) stopped
T01 >> 1462341252.04038692 Calculate projections (633.29738s) started
T01 << 1462341254.49834895 Calculate projections (635.75534s) stopped
T01 << 1462341254.49860811 LCAO eigensolver (2010.28781s) stopped
T01 >> 1462341254.49926090 Density (491.37206s) started
T01 >> 1462341254.49927306 Pseudo density (405.89549s) started
T01 >> 1462341254.49963093 Calculate density matrix (365.18156s) started
T01 << 1462341256.10438991 Calculate density matrix (366.78632s) stopped
T01 >> 1462341256.10448289 Construct density (40.15480s) started
T01 << 1462341256.27260995 Construct density (40.32293s) stopped
T01 >> 1462341256.27372193 Symmetrize density (0.01005s) started
T01 << 1462341256.27375197 Symmetrize density (0.01008s) stopped
T01 << 1462341256.27411008 Pseudo density (407.67032s) stopped
T01 >> 1462341256.27412891 Atomic density matrices (56.58849s) started
T01 << 1462341256.51389909 Atomic density matrices (56.82826s) stopped
T01 >> 1462341256.51393294 Multipole moments (0.90736s) started
T01 << 1462341256.51805592 Multipole moments (0.91148s) stopped
T01 >> 1462341256.51807809 Normalize (0.24482s) started
T01 << 1462341256.51904893 Normalize (0.24579s) stopped
T01 >> 1462341256.51908588 Mix (27.72069s) started
T01 << 1462341256.63455796 Mix (27.83616s) stopped
T01 << 1462341256.63463807 Density (493.50744s) stopped
T01 >> 1462341256.63472295 Hamiltonian (5588.52025s) started
T01 >> 1462341256.63474107 vbar (2.85997s) started
T01 << 1462341256.64870596 vbar (2.87394s) stopped
T01 >> 1462341256.64879894 XC 3D grid (2419.70404s) started
T01 >> 1462341256.82811594 van der Waals (2334.48881s) started
T01 >> 1462341256.86890197 semilocal (532.63715s) started
T01 << 1462341259.09000397 semilocal (534.85825s) stopped
T01 >> 1462341259.12024593 redistribute (268.67099s) started
T01 << 1462341259.51634002 redistribute (269.06709s) stopped
T01 >> 1462341259.51639795 libvdwxc nonlocal (1515.52419s) started
T01 << 1462341265.94606400 libvdwxc nonlocal (1521.95386s) stopped
T01 >> 1462341265.94614196 redistribute (269.06712s) started
T01 << 1462341266.72486401 redistribute (269.84584s) stopped
T01 << 1462341266.72605896 van der Waals (2344.38676s) stopped
T01 << 1462341266.90892601 XC 3D grid (2429.96417s) stopped
T01 >> 1462341266.90896511 Poisson (516.04205s) started
T01 << 1462341269.25438404 Poisson (518.38747s) stopped
T01 >> 1462341269.25444889 Hartree integrate/restrict (19.06309s) started
T01 << 1462341269.26903009 Hartree integrate/restrict (19.07767s) stopped
T01 >> 1462341269.26912308 Hartree integrate/restrict (19.07774s) started
T01 << 1462341269.33550406 Hartree integrate/restrict (19.14412s) stopped
T01 >> 1462341269.35758996 Atomic (1492.09601s) started
T01 >> 1462341269.36716199 XC Correction (1489.08773s) started
T01 << 1462341275.40194702 XC Correction (1495.12252s) stopped
T01 << 1462341275.40484190 Atomic (1498.14326s) stopped
T01 >> 1462341275.40492702 Communicate (1133.44382s) started
T01 << 1462341280.29305506 Communicate (1138.33195s) stopped
T01 << 1462341280.29308200 Hamiltonian (5612.17861s) stopped
T01 >> 1462341280.29313588 LCAO eigensolver (2010.28783s) started
T01 >> 1462341280.29314995 Potential matrix (63.84971s) started
T01 << 1462341280.54841709 Potential matrix (64.10498s) stopped
T01 >> 1462341280.54847908 DistributedAtomicCorrection (334.93765s) started
T01 << 1462341281.81155610 DistributedAtomicCorrection (336.20073s) stopped
T01 >> 1462341281.81161094 Distribute overlap matrix (288.44825s) started
T01 >> 1462341281.81163502 blocked summation (273.60461s) started
T01 << 1462341282.98562694 blocked summation (274.77860s) stopped
T01 >> 1462341282.98752308 Scalapack redistribute (14.50132s) started
T01 << 1462341283.04935193 Scalapack redistribute (14.56315s) stopped
T01 << 1462341283.04942107 Distribute overlap matrix (289.68606s) stopped
T01 >> 1462341283.05000305 Blacs Orbital Layouts (687.08888s) started
T01 >> 1462341283.05214500 General diagonalize (673.55097s) started
T01 << 1462341285.74574494 General diagonalize (676.24457s) stopped
T01 >> 1462341285.74579501 Redistribute coefs (0.69593s) started
T01 << 1462341285.74796796 Redistribute coefs (0.69810s) stopped
T01 >> 1462341285.74810600 Send coefs to domains (12.48842s) started
T01 << 1462341285.80118108 Send coefs to domains (12.54150s) stopped
T01 << 1462341285.80170202 Blacs Orbital Layouts (689.84058s) stopped
T01 >> 1462341285.80174398 Calculate projections (635.75539s) started
T01 << 1462341288.26230192 Calculate projections (638.21595s) stopped
T01 << 1462341288.26255798 LCAO eigensolver (2018.25725s) stopped
T01 >> 1462341288.26322293 Density (493.50745s) started
T01 >> 1462341288.26323509 Pseudo density (407.67034s) started
T01 >> 1462341288.26358104 Calculate density matrix (366.78637s) started
T01 << 1462341289.86281300 Calculate density matrix (368.38561s) stopped
T01 >> 1462341289.86290312 Construct density (40.32296s) started
T01 << 1462341290.03153110 Construct density (40.49159s) stopped
T01 >> 1462341290.03264809 Symmetrize density (0.01009s) started
T01 << 1462341290.03270197 Symmetrize density (0.01015s) stopped
T01 << 1462341290.03306508 Pseudo density (409.44017s) stopped
T01 >> 1462341290.03308511 Atomic density matrices (56.82828s) started
T01 << 1462341290.27273607 Atomic density matrices (57.06793s) stopped
T01 >> 1462341290.27277207 Multipole moments (0.91150s) started
T01 << 1462341290.27690697 Multipole moments (0.91563s) stopped
T01 >> 1462341290.27692795 Normalize (0.24582s) started
T01 << 1462341290.27790093 Normalize (0.24679s) stopped
T01 >> 1462341290.27794099 Mix (27.83624s) started
T01 << 1462341290.39425111 Mix (27.95255s) stopped
T01 << 1462341290.39434600 Density (495.63858s) stopped
T01 >> 1462341290.39444089 Hamiltonian (5612.17863s) started
T01 >> 1462341290.39445996 vbar (2.87399s) started
T01 << 1462341290.40823698 vbar (2.88777s) stopped
T01 >> 1462341290.40831709 XC 3D grid (2429.96420s) started
T01 >> 1462341290.58841896 van der Waals (2344.38679s) started
T01 >> 1462341290.63004208 semilocal (534.85833s) started
T01 << 1462341292.83401108 semilocal (537.06230s) stopped
T01 >> 1462341292.86611509 redistribute (269.84588s) started
T01 << 1462341293.27163911 redistribute (270.25140s) stopped
T01 >> 1462341293.27169204 libvdwxc nonlocal (1521.95390s) started
T01 << 1462341299.70398593 libvdwxc nonlocal (1528.38620s) stopped
T01 >> 1462341299.70406008 redistribute (270.25144s) started
T01 << 1462341300.48290992 redistribute (271.03028s) stopped
T01 << 1462341300.48412800 van der Waals (2354.28250s) stopped
T01 << 1462341300.66546893 XC 3D grid (2440.22135s) stopped
T01 >> 1462341300.66552496 Poisson (518.38751s) started
T01 << 1462341303.01621699 Poisson (520.73821s) stopped
T01 >> 1462341303.01631308 Hartree integrate/restrict (19.14416s) started
T01 << 1462341303.03094196 Hartree integrate/restrict (19.15879s) stopped
T01 >> 1462341303.03106999 Hartree integrate/restrict (19.15888s) started
T01 << 1462341303.09760404 Hartree integrate/restrict (19.22541s) stopped
T01 >> 1462341303.12066102 Atomic (1498.14328s) started
T01 >> 1462341303.13014388 XC Correction (1495.12254s) started
T01 << 1462341309.15997291 XC Correction (1501.15237s) stopped
T01 << 1462341309.16288590 Atomic (1504.18550s) stopped
T01 >> 1462341309.16297007 Communicate (1138.33197s) started
T01 << 1462341313.98821402 Communicate (1143.15721s) stopped
T01 << 1462341313.98823690 Hamiltonian (5635.77242s) stopped
T01 >> 1462341313.98828793 LCAO eigensolver (2018.25727s) started
T01 >> 1462341313.98830199 Potential matrix (64.10502s) started
T01 << 1462341314.24387598 Potential matrix (64.36059s) stopped
T01 >> 1462341314.24393892 DistributedAtomicCorrection (336.20076s) started
T01 << 1462341315.52688694 DistributedAtomicCorrection (337.48371s) stopped
T01 >> 1462341315.52694201 Distribute overlap matrix (289.68607s) started
T01 >> 1462341315.52696204 blocked summation (274.77863s) started
T01 << 1462341316.67089105 blocked summation (275.92256s) stopped
T01 >> 1462341316.67280102 Scalapack redistribute (14.56318s) started
T01 << 1462341316.73296499 Scalapack redistribute (14.62334s) stopped
T01 << 1462341316.73302388 Distribute overlap matrix (290.89215s) stopped
T01 >> 1462341316.73361611 Blacs Orbital Layouts (689.84059s) started
T01 >> 1462341316.73498607 General diagonalize (676.24460s) started
T01 << 1462341319.40370989 General diagonalize (678.91333s) stopped
T01 >> 1462341319.40375805 Redistribute coefs (0.69819s) started
T01 << 1462341319.40587902 Redistribute coefs (0.70031s) stopped
T01 >> 1462341319.40594006 Send coefs to domains (12.54156s) started
T01 << 1462341319.45974898 Send coefs to domains (12.59537s) stopped
T01 << 1462341319.46007895 Blacs Orbital Layouts (692.56706s) stopped
T01 >> 1462341319.46011496 Calculate projections (638.21600s) started
T01 << 1462341321.92055798 Calculate projections (640.67644s) stopped
T01 << 1462341321.92081809 LCAO eigensolver (2026.18980s) stopped
T01 >> 1462341321.92147398 Density (495.63859s) started
T01 >> 1462341321.92148590 Pseudo density (409.44018s) started
T01 >> 1462341321.92187500 Calculate density matrix (368.38566s) started
T01 << 1462341323.52540994 Calculate density matrix (369.98919s) stopped
T01 >> 1462341323.52550197 Construct density (40.49162s) started
T01 << 1462341323.69439411 Construct density (40.66051s) stopped
T01 >> 1462341323.69549990 Symmetrize density (0.01016s) started
T01 << 1462341323.69552898 Symmetrize density (0.01019s) stopped
T01 << 1462341323.69589090 Pseudo density (411.21459s) stopped
T01 >> 1462341323.69591093 Atomic density matrices (57.06796s) started
T01 << 1462341323.93489408 Atomic density matrices (57.30694s) stopped
T01 >> 1462341323.93492794 Multipole moments (0.91565s) started
T01 << 1462341323.93913102 Multipole moments (0.91985s) stopped
T01 >> 1462341323.93915391 Normalize (0.24682s) started
T01 << 1462341323.94011688 Normalize (0.24778s) stopped
T01 >> 1462341323.94016004 Mix (27.95264s) started
T01 << 1462341324.05588293 Mix (28.06836s) stopped
T01 << 1462341324.05596805 Density (497.77309s) stopped
T01 >> 1462341324.05604196 Hamiltonian (5635.77244s) started
T01 >> 1462341324.05606103 vbar (2.88781s) started
T01 << 1462341324.07018709 vbar (2.90194s) stopped
T01 >> 1462341324.07028794 XC 3D grid (2440.22139s) started
T01 >> 1462341324.25375795 van der Waals (2354.28253s) started
T01 >> 1462341324.29366207 semilocal (537.06240s) started
T01 << 1462341326.54097104 semilocal (539.30970s) stopped
T01 >> 1462341326.57221007 redistribute (271.03032s) started
T01 << 1462341326.94906497 redistribute (271.40717s) stopped
T01 >> 1462341326.94911504 libvdwxc nonlocal (1528.38625s) started
T01 << 1462341333.35786605 libvdwxc nonlocal (1534.79500s) stopped
T01 >> 1462341333.35793495 redistribute (271.40720s) started
T01 << 1462341334.13571405 redistribute (272.18498s) stopped
T01 << 1462341334.13689494 van der Waals (2364.16567s) stopped
T01 << 1462341334.31846309 XC 3D grid (2450.46957s) stopped
T01 >> 1462341334.31850195 Poisson (520.73828s) started
T01 << 1462341336.66832805 Poisson (523.08811s) stopped
T01 >> 1462341336.66838002 Hartree integrate/restrict (19.22545s) started
T01 << 1462341336.68304610 Hartree integrate/restrict (19.24011s) stopped
T01 >> 1462341336.68311906 Hartree integrate/restrict (19.24017s) started
T01 << 1462341336.75004101 Hartree integrate/restrict (19.30709s) stopped
T01 >> 1462341336.77184892 Atomic (1504.18552s) started
T01 >> 1462341336.78157306 XC Correction (1501.15239s) started
T01 << 1462341343.08865190 XC Correction (1507.45947s) stopped
T01 << 1462341343.09153390 Atomic (1510.50520s) stopped
T01 >> 1462341343.09161711 Communicate (1143.15723s) started
T01 << 1462341347.68251109 Communicate (1147.74812s) stopped
T01 << 1462341347.68255401 Hamiltonian (5659.39895s) stopped
T01 >> 1462341347.68262410 LCAO eigensolver (2026.18981s) started
T01 >> 1462341347.68263793 Potential matrix (64.36063s) started
T01 << 1462341347.93834209 Potential matrix (64.61633s) stopped
T01 >> 1462341347.93840194 DistributedAtomicCorrection (337.48374s) started
T01 << 1462341349.19548297 DistributedAtomicCorrection (338.74082s) stopped
T01 >> 1462341349.19553494 Distribute overlap matrix (290.89216s) started
T01 >> 1462341349.19555497 blocked summation (275.92259s) started
T01 << 1462341350.36535501 blocked summation (277.09239s) stopped
T01 >> 1462341350.36609101 Scalapack redistribute (14.62337s) started
T01 << 1462341350.42682910 Scalapack redistribute (14.68411s) stopped
T01 << 1462341350.42688894 Distribute overlap matrix (292.12351s) stopped
T01 >> 1462341350.42745996 Blacs Orbital Layouts (692.56707s) started
T01 >> 1462341350.42880106 General diagonalize (678.91336s) started
T01 << 1462341353.11156893 General diagonalize (681.59613s) stopped
T01 >> 1462341353.11162090 Redistribute coefs (0.70034s) started
T01 << 1462341353.11475706 Redistribute coefs (0.70348s) stopped
T01 >> 1462341353.11479402 Send coefs to domains (12.59543s) started
T01 << 1462341353.16816497 Send coefs to domains (12.64880s) stopped
T01 << 1462341353.16847897 Blacs Orbital Layouts (695.30809s) stopped
T01 >> 1462341353.16852188 Calculate projections (640.67649s) started
T01 << 1462341355.62867594 Calculate projections (643.13664s) stopped
T01 << 1462341355.62874103 LCAO eigensolver (2034.13593s) stopped
T01 >> 1462341355.62940598 Density (497.77310s) started
T01 >> 1462341355.62941790 Pseudo density (411.21460s) started
T01 >> 1462341355.62975407 Calculate density matrix (369.98925s) started
T01 << 1462341357.24095607 Calculate density matrix (371.60045s) stopped
T01 >> 1462341357.24105406 Construct density (40.66055s) started
T01 << 1462341357.41264296 Construct density (40.83214s) stopped
T01 >> 1462341357.41380191 Symmetrize density (0.01020s) started
T01 << 1462341357.41383290 Symmetrize density (0.01023s) stopped
T01 << 1462341357.41418004 Pseudo density (412.99936s) stopped
T01 >> 1462341357.41419792 Atomic density matrices (57.30696s) started
T01 << 1462341357.65052104 Atomic density matrices (57.54329s) stopped
T01 >> 1462341357.65055394 Multipole moments (0.91987s) started
T01 << 1462341357.65476298 Multipole moments (0.92408s) stopped
T01 >> 1462341357.65478492 Normalize (0.24782s) started
T01 << 1462341357.65574908 Normalize (0.24878s) stopped
T01 >> 1462341357.65579510 Mix (28.06844s) started
T01 << 1462341357.77122808 Mix (28.18387s) stopped
T01 << 1462341357.77130389 Density (499.91500s) stopped
T01 >> 1462341357.77137399 Hamiltonian (5659.39896s) started
T01 >> 1462341357.77139211 vbar (2.90200s) started
T01 << 1462341357.78543401 vbar (2.91604s) stopped
T01 >> 1462341357.78553891 XC 3D grid (2450.46960s) started
T01 >> 1462341357.96457195 van der Waals (2364.16570s) started
T01 >> 1462341358.00542593 semilocal (539.30978s) started
T01 << 1462341360.22007298 semilocal (541.52443s) stopped
T01 >> 1462341360.25149894 redistribute (272.18502s) started
T01 << 1462341360.64781809 redistribute (272.58134s) stopped
T01 >> 1462341360.64787006 libvdwxc nonlocal (1534.79504s) started
T01 << 1462341367.10662198 libvdwxc nonlocal (1541.25380s) stopped
T01 >> 1462341367.10669398 redistribute (272.58137s) started
T01 << 1462341367.89415002 redistribute (273.36882s) stopped
T01 << 1462341367.89602804 van der Waals (2374.09716s) stopped
T01 << 1462341368.06611705 XC 3D grid (2460.75018s) stopped
T01 >> 1462341368.06615996 Poisson (523.08814s) started
T01 << 1462341370.41522694 Poisson (525.43721s) stopped
T01 >> 1462341370.41531205 Hartree integrate/restrict (19.30712s) started
T01 << 1462341370.43028402 Hartree integrate/restrict (19.32209s) stopped
T01 >> 1462341370.43032908 Hartree integrate/restrict (19.32212s) started
T01 << 1462341370.49760389 Hartree integrate/restrict (19.38939s) stopped
T01 >> 1462341370.51816106 Atomic (1510.50522s) started
T01 >> 1462341370.52792597 XC Correction (1507.45949s) started
T01 << 1462341376.74948406 XC Correction (1513.68104s) stopped
T01 << 1462341376.75237012 Atomic (1516.73943s) stopped
T01 >> 1462341376.75245094 Communicate (1147.74815s) started
T01 << 1462341381.43047309 Communicate (1152.42617s) stopped
T01 << 1462341381.43049908 Hamiltonian (5683.05808s) stopped
T01 >> 1462341381.43055010 LCAO eigensolver (2034.13594s) started
T01 >> 1462341381.43056202 Potential matrix (64.61636s) started
T01 << 1462341381.68882799 Potential matrix (64.87463s) stopped
T01 >> 1462341381.68888998 DistributedAtomicCorrection (338.74085s) started
T01 << 1462341382.96241689 DistributedAtomicCorrection (340.01438s) stopped
T01 >> 1462341382.96247005 Distribute overlap matrix (292.12353s) started
T01 >> 1462341382.96249008 blocked summation (277.09242s) started
T01 << 1462341384.12430000 blocked summation (278.25423s) stopped
T01 >> 1462341384.12599492 Scalapack redistribute (14.68414s) started
T01 << 1462341384.18751407 Scalapack redistribute (14.74566s) stopped
T01 << 1462341384.18757200 Distribute overlap matrix (293.34863s) stopped
T01 >> 1462341384.18816209 Blacs Orbital Layouts (695.30811s) started
T01 >> 1462341384.19030595 General diagonalize (681.59616s) started
T01 << 1462341386.89395905 General diagonalize (684.29981s) stopped
T01 >> 1462341386.89400697 Redistribute coefs (0.70350s) started
T01 << 1462341386.89682293 Redistribute coefs (0.70632s) stopped
T01 >> 1462341386.89686108 Send coefs to domains (12.64885s) started
T01 << 1462341386.94907403 Send coefs to domains (12.70107s) stopped
T01 << 1462341386.94961095 Blacs Orbital Layouts (698.06956s) stopped
T01 >> 1462341386.94965100 Calculate projections (643.13669s) started
T01 << 1462341389.41144204 Calculate projections (645.59848s) stopped
T01 << 1462341389.41170502 LCAO eigensolver (2042.11710s) stopped
T01 >> 1462341389.41235995 Density (499.91501s) started
T01 >> 1462341389.41237307 Pseudo density (412.99938s) started
T01 >> 1462341389.41271091 Calculate density matrix (371.60051s) started
T01 << 1462341391.01621294 Calculate density matrix (373.20401s) stopped
T01 >> 1462341391.01630807 Construct density (40.83217s) started
T01 << 1462341391.18812799 Construct density (41.00399s) stopped
T01 >> 1462341391.19018197 Symmetrize density (0.01024s) started
T01 << 1462341391.19021010 Symmetrize density (0.01027s) stopped
T01 << 1462341391.19056797 Pseudo density (414.77757s) stopped
T01 >> 1462341391.19058704 Atomic density matrices (57.54331s) started
T01 << 1462341391.42624807 Atomic density matrices (57.77897s) stopped
T01 >> 1462341391.42628193 Multipole moments (0.92409s) started
T01 << 1462341391.43051004 Multipole moments (0.92832s) stopped
T01 >> 1462341391.43053293 Normalize (0.24882s) started
T01 << 1462341391.43149805 Normalize (0.24978s) stopped
T01 >> 1462341391.43154192 Mix (28.18395s) started
T01 << 1462341391.54652095 Mix (28.29893s) stopped
T01 << 1462341391.54657102 Density (502.04922s) stopped
T01 >> 1462341391.54663706 Hamiltonian (5683.05810s) started
T01 >> 1462341391.54665399 vbar (2.91610s) started
T01 << 1462341391.56078291 vbar (2.93023s) stopped
T01 >> 1462341391.56084991 XC 3D grid (2460.75021s) started
T01 >> 1462341391.74386311 van der Waals (2374.09725s) started
T01 >> 1462341391.78447890 semilocal (541.52449s) started
T01 << 1462341394.00159693 semilocal (543.74161s) stopped
T01 >> 1462341394.03214097 redistribute (273.36894s) started
T01 << 1462341394.42107010 redistribute (273.75787s) stopped
T01 >> 1462341394.42111993 libvdwxc nonlocal (1541.25384s) started
T01 << 1462341400.87661505 libvdwxc nonlocal (1547.70934s) stopped
T01 >> 1462341400.87668896 redistribute (273.75790s) started
T01 << 1462341401.66284490 redistribute (274.54405s) stopped
T01 << 1462341401.66455293 van der Waals (2384.01794s) stopped
T01 << 1462341401.83819199 XC 3D grid (2471.02755s) stopped
T01 >> 1462341401.83824611 Poisson (525.43728s) started
T01 << 1462341403.60902309 Poisson (527.20806s) stopped
T01 >> 1462341403.60912490 Hartree integrate/restrict (19.38944s) started
T01 << 1462341403.62406802 Hartree integrate/restrict (19.40439s) stopped
T01 >> 1462341403.62413907 Hartree integrate/restrict (19.40443s) started
T01 << 1462341403.69063902 Hartree integrate/restrict (19.47093s) stopped
T01 >> 1462341403.71464396 Atomic (1516.73944s) started
T01 >> 1462341403.72437501 XC Correction (1513.68106s) started
T01 << 1462341409.84863496 XC Correction (1519.80532s) stopped
T01 << 1462341409.85150504 Atomic (1522.87631s) stopped
T01 >> 1462341409.85159302 Communicate (1152.42619s) started
T01 << 1462341414.69039989 Communicate (1157.26500s) stopped
T01 << 1462341414.69042397 Hamiltonian (5706.20188s) stopped
T01 >> 1462341414.69047499 LCAO eigensolver (2042.11712s) started
T01 >> 1462341414.69048691 Potential matrix (64.87466s) started
T01 << 1462341414.94522595 Potential matrix (65.12940s) stopped
T01 >> 1462341414.94528699 DistributedAtomicCorrection (340.01441s) started
T01 << 1462341416.23806190 DistributedAtomicCorrection (341.30719s) stopped
T01 >> 1462341416.23811507 Distribute overlap matrix (293.34864s) started
T01 >> 1462341416.23813510 blocked summation (278.25426s) started
T01 << 1462341417.37967610 blocked summation (279.39581s) stopped
T01 >> 1462341417.38139009 Scalapack redistribute (14.74569s) started
T01 << 1462341417.44087911 Scalapack redistribute (14.80518s) stopped
T01 << 1462341417.44093895 Distribute overlap matrix (294.55146s) stopped
T01 >> 1462341417.44150805 Blacs Orbital Layouts (698.06958s) started
T01 >> 1462341417.44289398 General diagonalize (684.29984s) started
T01 << 1462341420.12586808 General diagonalize (686.98282s) stopped
T01 >> 1462341420.12591600 Redistribute coefs (0.70635s) started
T01 << 1462341420.12904596 Redistribute coefs (0.70948s) stopped
T01 >> 1462341420.12908292 Send coefs to domains (12.70112s) started
T01 << 1462341420.18201900 Send coefs to domains (12.75406s) stopped
T01 << 1462341420.18235707 Blacs Orbital Layouts (700.81043s) stopped
T01 >> 1462341420.18239498 Calculate projections (645.59853s) started
T01 << 1462341422.64247108 Calculate projections (648.05861s) stopped
T01 << 1462341422.64273190 LCAO eigensolver (2050.06937s) stopped
T01 >> 1462341422.64339209 Density (502.04924s) started
T01 >> 1462341422.64340401 Pseudo density (414.77759s) started
T01 >> 1462341422.64373398 Calculate density matrix (373.20407s) started
T01 << 1462341424.25177503 Calculate density matrix (374.81211s) stopped
T01 >> 1462341424.25186205 Construct density (41.00402s) started
T01 << 1462341424.42289996 Construct density (41.17506s) stopped
T01 >> 1462341424.42495704 Symmetrize density (0.01028s) started
T01 << 1462341424.42498589 Symmetrize density (0.01031s) stopped
T01 << 1462341424.42534494 Pseudo density (416.55953s) stopped
T01 >> 1462341424.42536306 Atomic density matrices (57.77899s) started
T01 << 1462341424.66171503 Atomic density matrices (58.01535s) stopped
T01 >> 1462341424.66174793 Multipole moments (0.92834s) started
T01 << 1462341424.66597700 Multipole moments (0.93257s) stopped
T01 >> 1462341424.66599894 Normalize (0.24982s) started
T01 << 1462341424.66695404 Normalize (0.25077s) stopped
T01 >> 1462341424.66699910 Mix (28.29897s) started
T01 << 1462341424.78342605 Mix (28.41540s) stopped
T01 << 1462341424.78350997 Density (504.18936s) stopped
T01 >> 1462341424.78358412 Hamiltonian (5706.20190s) started
T01 >> 1462341424.78360391 vbar (2.93027s) started
T01 << 1462341424.79767394 vbar (2.94434s) stopped
T01 >> 1462341424.79777098 XC 3D grid (2471.02760s) started
T01 >> 1462341424.98108196 van der Waals (2384.01805s) started
T01 >> 1462341425.02111411 semilocal (543.74166s) started
T01 << 1462341427.25570607 semilocal (545.97625s) stopped
T01 >> 1462341427.28537011 redistribute (274.54416s) started
T01 << 1462341427.65798593 redistribute (274.91677s) stopped
T01 >> 1462341427.65803695 libvdwxc nonlocal (1547.70939s) started
T01 << 1462341434.12565494 libvdwxc nonlocal (1554.17700s) stopped
T01 >> 1462341434.12572408 redistribute (274.91681s) started
T01 << 1462341434.90286994 redistribute (275.69395s) stopped
T01 << 1462341434.90393806 van der Waals (2393.94091s) stopped
T01 << 1462341435.08826804 XC 3D grid (2481.31809s) stopped
T01 >> 1462341435.08830690 Poisson (527.20814s) started
T01 << 1462341436.86201310 Poisson (528.98185s) stopped
T01 >> 1462341436.86209297 Hartree integrate/restrict (19.47096s) started
T01 << 1462341436.87687206 Hartree integrate/restrict (19.48574s) stopped
T01 >> 1462341436.87692094 Hartree integrate/restrict (19.48577s) started
T01 << 1462341436.94383907 Hartree integrate/restrict (19.55269s) stopped
T01 >> 1462341436.96592498 Atomic (1522.87632s) started
T01 >> 1462341436.97567010 XC Correction (1519.80535s) started
T01 << 1462341443.07473111 XC Correction (1525.90441s) stopped
T01 << 1462341443.07759690 Atomic (1528.98799s) stopped
T01 >> 1462341443.07768202 Communicate (1157.26502s) started
T01 << 1462341447.89631295 Communicate (1162.08365s) stopped
T01 << 1462341447.89633894 Hamiltonian (5729.31465s) stopped
T01 >> 1462341447.89638901 LCAO eigensolver (2050.06939s) started
T01 >> 1462341447.89640188 Potential matrix (65.12944s) started
T01 << 1462341448.15090489 Potential matrix (65.38394s) stopped
T01 >> 1462341448.15096498 DistributedAtomicCorrection (341.30722s) started
T01 << 1462341449.42537594 DistributedAtomicCorrection (342.58163s) stopped
T01 >> 1462341449.42542791 Distribute overlap matrix (294.55148s) started
T01 >> 1462341449.42544794 blocked summation (279.39584s) started
T01 << 1462341450.58175397 blocked summation (280.55214s) stopped
T01 >> 1462341450.58329391 Scalapack redistribute (14.80521s) started
T01 << 1462341450.64690590 Scalapack redistribute (14.86883s) stopped
T01 << 1462341450.64696598 Distribute overlap matrix (295.77301s) stopped
T01 >> 1462341450.64756393 Blacs Orbital Layouts (700.81045s) started
T01 >> 1462341450.64892292 General diagonalize (686.98285s) started
T01 << 1462341453.33056498 General diagonalize (689.66449s) stopped
T01 >> 1462341453.33061290 Redistribute coefs (0.70951s) started
T01 << 1462341453.33376503 Redistribute coefs (0.71266s) stopped
T01 >> 1462341453.33380198 Send coefs to domains (12.75412s) started
T01 << 1462341453.38604999 Send coefs to domains (12.80637s) stopped
T01 << 1462341453.38637805 Blacs Orbital Layouts (703.54926s) stopped
T01 >> 1462341453.38641596 Calculate projections (648.05865s) started
T01 << 1462341455.84654593 Calculate projections (650.51878s) stopped
T01 << 1462341455.84680700 LCAO eigensolver (2058.01981s) stopped
T01 >> 1462341455.84744096 Density (504.18937s) started
T01 >> 1462341455.84745407 Pseudo density (416.55954s) started
T01 >> 1462341455.84778595 Calculate density matrix (374.81217s) started
T01 << 1462341457.46230197 Calculate density matrix (376.42669s) stopped
T01 >> 1462341457.46239591 Construct density (41.17509s) started
T01 << 1462341457.63402700 Construct density (41.34672s) stopped
T01 >> 1462341457.63513303 Symmetrize density (0.01032s) started
T01 << 1462341457.63516092 Symmetrize density (0.01035s) stopped
T01 << 1462341457.63551497 Pseudo density (418.34760s) stopped
T01 >> 1462341457.63553405 Atomic density matrices (58.01537s) started
T01 << 1462341457.87165904 Atomic density matrices (58.25149s) stopped
T01 >> 1462341457.87169409 Multipole moments (0.93258s) started
T01 << 1462341457.87593198 Multipole moments (0.93682s) stopped
T01 >> 1462341457.87595391 Normalize (0.25081s) started
T01 << 1462341457.87690997 Normalize (0.25176s) stopped
T01 >> 1462341457.87695193 Mix (28.41548s) started
T01 << 1462341457.99320793 Mix (28.53174s) stopped
T01 << 1462341457.99326110 Density (506.33519s) stopped
T01 >> 1462341457.99333000 Hamiltonian (5729.31466s) started
T01 >> 1462341457.99334908 vbar (2.94439s) started
T01 << 1462341458.00720596 vbar (2.95825s) stopped
T01 >> 1462341458.00726390 XC 3D grid (2481.31812s) started
T01 >> 1462341458.18130898 van der Waals (2393.94094s) started
T01 >> 1462341458.22325993 semilocal (545.97630s) started
T01 << 1462341460.43599796 semilocal (548.18903s) stopped
T01 >> 1462341460.46869493 redistribute (275.69398s) started
T01 << 1462341460.86856198 redistribute (276.09385s) stopped
T01 >> 1462341460.86861300 libvdwxc nonlocal (1554.17705s) started
T01 << 1462341467.31020808 libvdwxc nonlocal (1560.61864s) stopped
T01 >> 1462341467.31027508 redistribute (276.09388s) started
T01 << 1462341468.08508492 redistribute (276.86869s) stopped
T01 << 1462341468.08628607 van der Waals (2403.84591s) stopped
T01 << 1462341468.26633692 XC 3D grid (2491.57719s) stopped
T01 >> 1462341468.26637602 Poisson (528.98191s) started
T01 << 1462341470.04134607 Poisson (530.75688s) stopped
T01 >> 1462341470.04140210 Hartree integrate/restrict (19.55271s) started
T01 << 1462341470.05609608 Hartree integrate/restrict (19.56741s) stopped
T01 >> 1462341470.05617499 Hartree integrate/restrict (19.56746s) started
T01 << 1462341470.12222505 Hartree integrate/restrict (19.63351s) stopped
T01 >> 1462341470.14480495 Atomic (1528.98801s) started
T01 >> 1462341470.15455198 XC Correction (1525.90443s) started
T01 << 1462341476.25953603 XC Correction (1532.00941s) stopped
T01 << 1462341476.26240802 Atomic (1535.10561s) stopped
T01 >> 1462341476.26249695 Communicate (1162.08366s) started
T01 << 1462341481.02441311 Communicate (1166.84558s) stopped
T01 << 1462341481.02443910 Hamiltonian (5752.34577s) stopped
T01 >> 1462341481.02449107 LCAO eigensolver (2058.01983s) started
T01 >> 1462341481.02450299 Potential matrix (65.38397s) started
T01 << 1462341481.28125095 Potential matrix (65.64072s) stopped
T01 >> 1462341481.28131390 DistributedAtomicCorrection (342.58166s) started
T01 << 1462341482.55436897 DistributedAtomicCorrection (343.85472s) stopped
T01 >> 1462341482.55442309 Distribute overlap matrix (295.77303s) started
T01 >> 1462341482.55444407 blocked summation (280.55218s) started
T01 << 1462341483.69261408 blocked summation (281.69035s) stopped
T01 >> 1462341483.69429302 Scalapack redistribute (14.86886s) started
T01 << 1462341483.75757003 Scalapack redistribute (14.93213s) stopped
T01 << 1462341483.75763011 Distribute overlap matrix (296.97623s) stopped
T01 >> 1462341483.75821996 Blacs Orbital Layouts (703.54928s) started
T01 >> 1462341483.76038289 General diagonalize (689.66452s) started
T01 << 1462341486.46590400 General diagonalize (692.37004s) stopped
T01 >> 1462341486.46595192 Redistribute coefs (0.71269s) started
T01 << 1462341486.46874094 Redistribute coefs (0.71548s) stopped
T01 >> 1462341486.46877909 Send coefs to domains (12.80643s) started
T01 << 1462341486.52128005 Send coefs to domains (12.85893s) stopped
T01 << 1462341486.52177906 Blacs Orbital Layouts (706.31283s) stopped
T01 >> 1462341486.52181506 Calculate projections (650.51883s) started
T01 << 1462341488.98658109 Calculate projections (652.98360s) stopped
T01 << 1462341488.98684001 LCAO eigensolver (2065.98217s) stopped
T01 >> 1462341488.98750210 Density (506.33521s) started
T01 >> 1462341488.98751497 Pseudo density (418.34762s) started
T01 >> 1462341488.98785591 Calculate density matrix (376.42674s) started
T01 << 1462341490.59024501 Calculate density matrix (378.02913s) stopped
T01 >> 1462341490.59033799 Construct density (41.34675s) started
T01 << 1462341490.76246691 Construct density (41.51888s) stopped
T01 >> 1462341490.76358104 Symmetrize density (0.01036s) started
T01 << 1462341490.76361299 Symmetrize density (0.01039s) stopped
T01 << 1462341490.76396394 Pseudo density (420.12407s) stopped
T01 >> 1462341490.76398301 Atomic density matrices (58.25152s) started
T01 << 1462341490.99998093 Atomic density matrices (58.48751s) stopped
T01 >> 1462341491.00001502 Multipole moments (0.93684s) started
T01 << 1462341491.00422692 Multipole moments (0.94105s) stopped
T01 >> 1462341491.00424910 Normalize (0.25180s) started
T01 << 1462341491.00521398 Normalize (0.25276s) stopped
T01 >> 1462341491.00525188 Mix (28.53179s) started
T01 << 1462341491.12095189 Mix (28.64749s) stopped
T01 << 1462341491.12099791 Density (508.46870s) stopped
T01 >> 1462341491.12107611 Hamiltonian (5752.34578s) started
T01 >> 1462341491.12109709 vbar (2.95828s) started
T01 << 1462341491.13512111 vbar (2.97230s) stopped
T01 >> 1462341491.13518596 XC 3D grid (2491.57722s) started
T01 >> 1462341491.32114410 van der Waals (2403.84595s) started
T01 >> 1462341491.36207008 semilocal (548.18912s) started
T01 << 1462341493.60644698 semilocal (550.43350s) stopped
T01 >> 1462341493.63646293 redistribute (276.86873s) started
T01 << 1462341494.00422502 redistribute (277.23649s) stopped
T01 >> 1462341494.00427794 libvdwxc nonlocal (1560.61869s) started
T01 << 1462341500.42000198 libvdwxc nonlocal (1567.03441s) stopped
T01 >> 1462341500.42007399 redistribute (277.23652s) started
T01 << 1462341501.19285202 redistribute (278.00930s) stopped
T01 << 1462341501.19387698 van der Waals (2413.71868s) stopped
T01 << 1462341501.37391305 XC 3D grid (2501.81595s) stopped
T01 >> 1462341501.37396908 Poisson (530.75692s) started
T01 << 1462341503.72598910 Poisson (533.10894s) stopped
T01 >> 1462341503.72608805 Hartree integrate/restrict (19.63354s) started
T01 << 1462341503.74111199 Hartree integrate/restrict (19.64857s) stopped
T01 >> 1462341503.74119902 Hartree integrate/restrict (19.64863s) started
T01 << 1462341503.80745792 Hartree integrate/restrict (19.71489s) stopped
T01 >> 1462341503.83026004 Atomic (1535.10563s) started
T01 >> 1462341503.84005499 XC Correction (1532.00943s) started
T01 << 1462341509.92868304 XC Correction (1538.09806s) stopped
T01 << 1462341509.93156600 Atomic (1541.20693s) stopped
T01 >> 1462341509.93165207 Communicate (1166.84560s) started
T01 << 1462341514.75192094 Communicate (1171.66587s) stopped
T01 << 1462341514.75194407 Hamiltonian (5775.97665s) stopped
T01 >> 1462341514.75199509 LCAO eigensolver (2065.98219s) started
T01 >> 1462341514.75200701 Potential matrix (65.64075s) started
T01 << 1462341515.00812793 Potential matrix (65.89688s) stopped
T01 >> 1462341515.00818992 DistributedAtomicCorrection (343.85475s) started
T01 << 1462341516.27515101 DistributedAtomicCorrection (345.12171s) stopped
T01 >> 1462341516.27520609 Distribute overlap matrix (296.97624s) started
T01 >> 1462341516.27522707 blocked summation (281.69038s) started
T01 << 1462341517.43190598 blocked summation (282.84706s) stopped
T01 >> 1462341517.43358111 Scalapack redistribute (14.93216s) started
T01 << 1462341517.49492788 Scalapack redistribute (14.99351s) stopped
T01 << 1462341517.49498391 Distribute overlap matrix (298.19602s) stopped
T01 >> 1462341517.49557400 Blacs Orbital Layouts (706.31285s) started
T01 >> 1462341517.49692106 General diagonalize (692.37007s) started
T01 << 1462341520.17528296 General diagonalize (695.04844s) stopped
T01 >> 1462341520.17533112 Redistribute coefs (0.71551s) started
T01 << 1462341520.17758703 Redistribute coefs (0.71776s) stopped
T01 >> 1462341520.17765093 Send coefs to domains (12.85899s) started
T01 << 1462341520.23057103 Send coefs to domains (12.91191s) stopped
T01 << 1462341520.23089409 Blacs Orbital Layouts (709.04817s) stopped
T01 >> 1462341520.23093104 Calculate projections (652.98365s) started
T01 << 1462341522.69541597 Calculate projections (655.44813s) stopped
T01 << 1462341522.69567990 LCAO eigensolver (2073.92588s) stopped
T01 >> 1462341522.69633794 Density (508.46872s) started
T01 >> 1462341522.69635105 Pseudo density (420.12408s) started
T01 >> 1462341522.69669199 Calculate density matrix (378.02919s) started
T01 << 1462341524.29337907 Calculate density matrix (379.62588s) stopped
T01 >> 1462341524.29347610 Construct density (41.51891s) started
T01 << 1462341524.46457601 Construct density (41.69001s) stopped
T01 >> 1462341524.46568799 Symmetrize density (0.01040s) started
T01 << 1462341524.46571708 Symmetrize density (0.01043s) stopped
T01 << 1462341524.46607208 Pseudo density (421.89380s) stopped
T01 >> 1462341524.46609092 Atomic density matrices (58.48754s) started
T01 << 1462341524.70333600 Atomic density matrices (58.72478s) stopped
T01 >> 1462341524.70337009 Multipole moments (0.94106s) started
T01 << 1462341524.70757508 Multipole moments (0.94527s) stopped
T01 >> 1462341524.70759606 Normalize (0.25279s) started
T01 << 1462341524.70855808 Normalize (0.25375s) stopped
T01 >> 1462341524.70859909 Mix (28.64753s) started
T01 << 1462341524.82459092 Mix (28.76353s) stopped
T01 << 1462341524.82468796 Density (510.59707s) stopped
T01 >> 1462341524.82476306 Hamiltonian (5775.97667s) started
T01 >> 1462341524.82478309 vbar (2.97234s) started
T01 << 1462341524.83877397 vbar (2.98633s) stopped
T01 >> 1462341524.83885694 XC 3D grid (2501.81600s) started
T01 >> 1462341525.01662302 van der Waals (2413.71873s) started
T01 >> 1462341525.05615807 semilocal (550.43356s) started
T01 << 1462341527.30099893 semilocal (552.67841s) stopped
T01 >> 1462341527.33092594 redistribute (278.00933s) started
T01 << 1462341527.70048690 redistribute (278.37889s) stopped
T01 >> 1462341527.70052695 libvdwxc nonlocal (1567.03446s) started
T01 << 1462341534.16080308 libvdwxc nonlocal (1573.49474s) stopped
T01 >> 1462341534.16087294 redistribute (278.37893s) started
T01 << 1462341534.93457007 redistribute (279.15262s) stopped
T01 << 1462341534.93579507 van der Waals (2423.63790s) stopped
T01 << 1462341535.11447906 XC 3D grid (2512.09162s) stopped
T01 >> 1462341535.11451602 Poisson (533.10901s) started
T01 << 1462341536.88576603 Poisson (534.88026s) stopped
T01 >> 1462341536.88582802 Hartree integrate/restrict (19.71491s) started
T01 << 1462341536.90066600 Hartree integrate/restrict (19.72975s) stopped
T01 >> 1462341536.90071511 Hartree integrate/restrict (19.72979s) started
T01 << 1462341536.96781707 Hartree integrate/restrict (19.79689s) stopped
T01 >> 1462341536.98922801 Atomic (1541.20695s) started
T01 >> 1462341536.99897504 XC Correction (1538.09808s) started
T01 << 1462341543.10068393 XC Correction (1544.19979s) stopped
T01 << 1462341543.10356688 Atomic (1547.32129s) stopped
T01 >> 1462341543.10365605 Communicate (1171.66588s) started
T01 << 1462341547.87486291 Communicate (1176.43709s) stopped
T01 << 1462341547.87488604 Hamiltonian (5799.02679s) stopped
T01 >> 1462341547.87493491 LCAO eigensolver (2073.92589s) started
T01 >> 1462341547.87494707 Potential matrix (65.89691s) started
T01 << 1462341548.13087010 Potential matrix (66.15283s) stopped
T01 >> 1462341548.13093305 DistributedAtomicCorrection (345.12174s) started
T01 << 1462341549.37865400 DistributedAtomicCorrection (346.36947s) stopped
T01 >> 1462341549.37870693 Distribute overlap matrix (298.19603s) started
T01 >> 1462341549.37872791 blocked summation (282.84709s) started
T01 << 1462341550.55309892 blocked summation (284.02146s) stopped
T01 >> 1462341550.55383396 Scalapack redistribute (14.99354s) started
T01 << 1462341550.61454892 Scalapack redistribute (15.05425s) stopped
T01 << 1462341550.61461306 Distribute overlap matrix (299.43194s) stopped
T01 >> 1462341550.61518312 Blacs Orbital Layouts (709.04819s) started
T01 >> 1462341550.61652303 General diagonalize (695.04847s) started
T01 << 1462341553.30310297 General diagonalize (697.73505s) stopped
T01 >> 1462341553.30315089 Redistribute coefs (0.71780s) started
T01 << 1462341553.30636501 Redistribute coefs (0.72101s) stopped
T01 >> 1462341553.30640197 Send coefs to domains (12.91197s) started
T01 << 1462341553.35853100 Send coefs to domains (12.96410s) stopped
T01 << 1462341553.35886192 Blacs Orbital Layouts (711.79187s) stopped
T01 >> 1462341553.35890293 Calculate projections (655.44818s) started
T01 << 1462341555.82369995 Calculate projections (657.91298s) stopped
T01 << 1462341555.82376599 LCAO eigensolver (2081.87473s) stopped
T01 >> 1462341555.82442689 Density (510.59708s) started
T01 >> 1462341555.82443905 Pseudo density (421.89381s) started
T01 >> 1462341555.82478404 Calculate density matrix (379.62593s) started
T01 << 1462341557.42812204 Calculate density matrix (381.22927s) stopped
T01 >> 1462341557.42821097 Construct density (41.69005s) started
T01 << 1462341557.59991789 Construct density (41.86176s) stopped
T01 >> 1462341557.60103106 Symmetrize density (0.01044s) started
T01 << 1462341557.60106111 Symmetrize density (0.01047s) stopped
T01 << 1462341557.60140991 Pseudo density (423.67079s) stopped
T01 >> 1462341557.60142899 Atomic density matrices (58.72481s) started
T01 << 1462341557.83739805 Atomic density matrices (58.96078s) stopped
T01 >> 1462341557.83743191 Multipole moments (0.94528s) started
T01 << 1462341557.84160495 Multipole moments (0.94946s) stopped
T01 >> 1462341557.84162688 Normalize (0.25378s) started
T01 << 1462341557.84259105 Normalize (0.25475s) stopped
T01 >> 1462341557.84263611 Mix (28.76362s) started
T01 << 1462341557.95839310 Mix (28.87937s) stopped
T01 << 1462341557.95848203 Density (512.73113s) stopped
T01 >> 1462341557.95855904 Hamiltonian (5799.02680s) started
T01 >> 1462341557.95857692 vbar (2.98637s) started
T01 << 1462341557.97285295 vbar (3.00065s) stopped
T01 >> 1462341557.97294998 XC 3D grid (2512.09165s) started
T01 >> 1462341558.15675807 van der Waals (2423.63793s) started
T01 >> 1462341558.19842505 semilocal (552.67847s) started
T01 << 1462341560.42807007 semilocal (554.90812s) stopped
T01 >> 1462341560.45734406 redistribute (279.15266s) started
T01 << 1462341560.83104491 redistribute (279.52636s) stopped
T01 >> 1462341560.83109593 libvdwxc nonlocal (1573.49479s) started
T01 << 1462341567.27557993 libvdwxc nonlocal (1579.93927s) stopped
T01 >> 1462341567.27565193 redistribute (279.52639s) started
T01 << 1462341568.05638409 redistribute (280.30713s) stopped
T01 << 1462341568.05815411 van der Waals (2433.53933s) stopped
T01 << 1462341568.22894001 XC 3D grid (2522.34764s) stopped
T01 >> 1462341568.22898507 Poisson (534.88031s) started
T01 << 1462341570.00009704 Poisson (536.65142s) stopped
T01 >> 1462341570.00017500 Hartree integrate/restrict (19.79691s) started
T01 << 1462341570.01518798 Hartree integrate/restrict (19.81193s) stopped
T01 >> 1462341570.01523209 Hartree integrate/restrict (19.81196s) started
T01 << 1462341570.08273602 Hartree integrate/restrict (19.87946s) stopped
T01 >> 1462341570.10329103 Atomic (1547.32130s) started
T01 >> 1462341570.11305094 XC Correction (1544.19981s) started
T01 << 1462341576.20277596 XC Correction (1550.28954s) stopped
T01 << 1462341576.20566106 Atomic (1553.42367s) stopped
T01 >> 1462341576.20574498 Communicate (1176.43711s) started
T01 << 1462341580.94242311 Communicate (1181.17378s) stopped
T01 << 1462341580.94244695 Hamiltonian (5822.01069s) stopped
T01 >> 1462341580.94249701 LCAO eigensolver (2081.87474s) started
T01 >> 1462341580.94250989 Potential matrix (66.15287s) started
T01 << 1462341581.20185995 Potential matrix (66.41222s) stopped
T01 >> 1462341581.20192409 DistributedAtomicCorrection (346.36950s) started
T01 << 1462341582.45296788 DistributedAtomicCorrection (347.62054s) stopped
T01 >> 1462341582.45302200 Distribute overlap matrix (299.43195s) started
T01 >> 1462341582.45304108 blocked summation (284.02149s) started
T01 << 1462341583.61975908 blocked summation (285.18821s) stopped
T01 >> 1462341583.62144399 Scalapack redistribute (15.05428s) started
T01 << 1462341583.68325806 Scalapack redistribute (15.11610s) stopped
T01 << 1462341583.68331909 Distribute overlap matrix (300.66225s) stopped
T01 >> 1462341583.68390489 Blacs Orbital Layouts (711.79188s) started
T01 >> 1462341583.68605709 General diagonalize (697.73508s) started
T01 << 1462341586.38053608 General diagonalize (700.42956s) stopped
T01 >> 1462341586.38058400 Redistribute coefs (0.72104s) started
T01 << 1462341586.38350797 Redistribute coefs (0.72397s) stopped
T01 >> 1462341586.38354492 Send coefs to domains (12.96416s) started
T01 << 1462341586.43710899 Send coefs to domains (13.01773s) stopped
T01 << 1462341586.43762207 Blacs Orbital Layouts (714.54560s) stopped
T01 >> 1462341586.43765903 Calculate projections (657.91303s) started
T01 << 1462341588.90176511 Calculate projections (660.37714s) stopped
T01 << 1462341588.90202188 LCAO eigensolver (2089.83426s) stopped
T01 >> 1462341588.90269494 Density (512.73115s) started
T01 >> 1462341588.90270710 Pseudo density (423.67080s) started
T01 >> 1462341588.90302896 Calculate density matrix (381.22933s) started
T01 << 1462341590.51067305 Calculate density matrix (382.83697s) stopped
T01 >> 1462341590.51076603 Construct density (41.86179s) started
T01 << 1462341590.68266797 Construct density (42.03369s) stopped
T01 >> 1462341590.68471003 Symmetrize density (0.01048s) started
T01 << 1462341590.68473911 Symmetrize density (0.01051s) stopped
T01 << 1462341590.68509889 Pseudo density (425.45319s) stopped
T01 >> 1462341590.68511701 Atomic density matrices (58.96080s) started
T01 << 1462341590.91991901 Atomic density matrices (59.19560s) stopped
T01 >> 1462341590.91995311 Multipole moments (0.94947s) started
T01 << 1462341590.92412591 Multipole moments (0.95364s) stopped
T01 >> 1462341590.92414904 Normalize (0.25478s) started
T01 << 1462341590.92512798 Normalize (0.25576s) stopped
T01 >> 1462341590.92516708 Mix (28.87946s) started
T01 << 1462341591.03979993 Mix (28.99409s) stopped
T01 << 1462341591.03987598 Density (514.86833s) stopped
T01 >> 1462341591.03995395 Hamiltonian (5822.01070s) started
T01 >> 1462341591.03997302 vbar (3.00071s) started
T01 << 1462341591.05416799 vbar (3.01490s) stopped
T01 >> 1462341591.05427289 XC 3D grid (2522.34767s) started
T01 >> 1462341591.23609996 van der Waals (2433.53942s) started
T01 >> 1462341591.27742004 semilocal (554.90816s) started
T01 << 1462341593.50836301 semilocal (557.13910s) stopped
T01 >> 1462341593.53786707 redistribute (280.30725s) started
T01 << 1462341593.91108394 redistribute (280.68047s) stopped
T01 >> 1462341593.91113496 libvdwxc nonlocal (1579.93932s) started
T01 << 1462341600.35765600 libvdwxc nonlocal (1586.38584s) stopped
T01 >> 1462341600.35772800 redistribute (280.68050s) started
T01 << 1462341601.13225603 redistribute (281.45503s) stopped
T01 << 1462341601.13343811 van der Waals (2443.43676s) stopped
T01 << 1462341601.31506610 XC 3D grid (2532.60847s) stopped
T01 >> 1462341601.31515789 Poisson (536.65148s) started
T01 << 1462341603.08161402 Poisson (538.41794s) stopped
T01 >> 1462341603.08171201 Hartree integrate/restrict (19.87949s) started
T01 << 1462341603.09673500 Hartree integrate/restrict (19.89451s) stopped
T01 >> 1462341603.09678411 Hartree integrate/restrict (19.89454s) started
T01 << 1462341603.16292000 Hartree integrate/restrict (19.96068s) stopped
T01 >> 1462341603.18008804 Atomic (1553.42369s) started
T01 >> 1462341603.18978405 XC Correction (1550.28956s) started
T01 << 1462341609.28857398 XC Correction (1556.38835s) stopped
T01 << 1462341609.29146290 Atomic (1559.53507s) stopped
T01 >> 1462341609.29154396 Communicate (1181.17380s) started
T01 << 1462341614.05330706 Communicate (1185.93556s) stopped
T01 << 1462341614.05333090 Hamiltonian (5845.02408s) stopped
T01 >> 1462341614.05338311 LCAO eigensolver (2089.83428s) started
T01 >> 1462341614.05339503 Potential matrix (66.41225s) started
T01 << 1462341614.30810809 Potential matrix (66.66697s) stopped
T01 >> 1462341614.30817103 DistributedAtomicCorrection (347.62057s) started
T01 << 1462341615.58217502 DistributedAtomicCorrection (348.89458s) stopped
T01 >> 1462341615.58223009 Distribute overlap matrix (300.66226s) started
T01 >> 1462341615.58225012 blocked summation (285.18824s) started
T01 << 1462341616.73909307 blocked summation (286.34509s) stopped
T01 >> 1462341616.74080896 Scalapack redistribute (15.11613s) started
T01 << 1462341616.80112410 Scalapack redistribute (15.17644s) stopped
T01 << 1462341616.80118299 Distribute overlap matrix (301.88121s) stopped
T01 >> 1462341616.80177689 Blacs Orbital Layouts (714.54562s) started
T01 >> 1462341616.80312395 General diagonalize (700.42959s) started
T01 << 1462341619.49180508 General diagonalize (703.11827s) stopped
T01 >> 1462341619.49185300 Redistribute coefs (0.72399s) started
T01 << 1462341619.49385691 Redistribute coefs (0.72600s) stopped
T01 >> 1462341619.49391794 Send coefs to domains (13.01779s) started
T01 << 1462341619.54726601 Send coefs to domains (13.07114s) stopped
T01 << 1462341619.54758811 Blacs Orbital Layouts (717.29143s) stopped
T01 >> 1462341619.54763103 Calculate projections (660.37718s) started
T01 << 1462341622.01185799 Calculate projections (662.84141s) stopped
T01 << 1462341622.01211500 LCAO eigensolver (2097.79301s) stopped
T01 >> 1462341622.01277590 Density (514.86835s) started
T01 >> 1462341622.01278901 Pseudo density (425.45320s) started
T01 >> 1462341622.01312208 Calculate density matrix (382.83703s) started
T01 << 1462341623.60718608 Calculate density matrix (384.43109s) stopped
T01 >> 1462341623.60727596 Construct density (42.03372s) started
T01 << 1462341623.77861595 Construct density (42.20506s) stopped
T01 >> 1462341623.77974200 Symmetrize density (0.01052s) started
T01 << 1462341623.77977300 Symmetrize density (0.01055s) stopped
T01 << 1462341623.78012490 Pseudo density (427.22054s) stopped
T01 >> 1462341623.78014398 Atomic density matrices (59.19562s) started
T01 << 1462341624.01676989 Atomic density matrices (59.43225s) stopped
T01 >> 1462341624.01680398 Multipole moments (0.95366s) started
T01 << 1462341624.02098203 Multipole moments (0.95784s) stopped
T01 >> 1462341624.02100396 Normalize (0.25579s) started
T01 << 1462341624.02196693 Normalize (0.25675s) stopped
T01 >> 1462341624.02200890 Mix (28.99416s) started
T01 << 1462341624.13811398 Mix (29.11027s) stopped
T01 << 1462341624.13821602 Density (516.99379s) stopped
T01 >> 1462341624.13829589 Hamiltonian (5845.02409s) started
T01 >> 1462341624.13831592 vbar (3.01496s) started
T01 << 1462341624.15219307 vbar (3.02884s) stopped
T01 >> 1462341624.15228105 XC 3D grid (2532.60855s) started
T01 >> 1462341624.32586002 van der Waals (2443.43682s) started
T01 >> 1462341624.36723590 semilocal (557.13919s) started
T01 << 1462341626.61486506 semilocal (559.38682s) stopped
T01 >> 1462341626.64662099 redistribute (281.45506s) started
T01 << 1462341627.01549792 redistribute (281.82394s) stopped
T01 >> 1462341627.01554894 libvdwxc nonlocal (1586.38589s) started
T01 << 1462341633.43749499 libvdwxc nonlocal (1592.80784s) stopped
T01 >> 1462341633.43756509 redistribute (281.82397s) started
T01 << 1462341634.21149492 redistribute (282.59790s) stopped
T01 << 1462341634.21279192 van der Waals (2453.32375s) stopped
T01 << 1462341634.39329100 XC 3D grid (2542.84956s) stopped
T01 >> 1462341634.39333010 Poisson (538.41801s) started
T01 << 1462341635.59029508 Poisson (539.61498s) stopped
T01 >> 1462341635.59035897 Hartree integrate/restrict (19.96071s) started
T01 << 1462341635.60539699 Hartree integrate/restrict (19.97575s) stopped
T01 >> 1462341635.60544896 Hartree integrate/restrict (19.97578s) started
T01 << 1462341635.67175198 Hartree integrate/restrict (20.04208s) stopped
T01 >> 1462341635.68962097 Atomic (1559.53508s) started
T01 >> 1462341635.69943404 XC Correction (1556.38837s) started
T01 << 1462341641.79866910 XC Correction (1562.48760s) stopped
T01 << 1462341641.80157208 Atomic (1565.64703s) stopped
T01 >> 1462341641.80165911 Communicate (1185.93558s) started
T01 << 1462341646.58917689 Communicate (1190.72310s) stopped
T01 << 1462341646.58920193 Hamiltonian (5867.47500s) stopped
T01 >> 1462341646.58925295 LCAO eigensolver (2097.79303s) started
T01 >> 1462341646.58926606 Potential matrix (66.66700s) started
T01 << 1462341646.84384298 Potential matrix (66.92158s) stopped
T01 >> 1462341646.84390712 DistributedAtomicCorrection (348.89461s) started
T01 << 1462341648.10808492 DistributedAtomicCorrection (350.15879s) stopped
T01 >> 1462341648.10813904 Distribute overlap matrix (301.88122s) started
T01 >> 1462341648.10815811 blocked summation (286.34512s) started
T01 << 1462341649.29359794 blocked summation (287.53056s) stopped
T01 >> 1462341649.29516697 Scalapack redistribute (15.17647s) started
T01 << 1462341649.35510993 Scalapack redistribute (15.23642s) stopped
T01 << 1462341649.35517192 Distribute overlap matrix (303.12826s) stopped
T01 >> 1462341649.35576200 Blacs Orbital Layouts (717.29145s) started
T01 >> 1462341649.35710406 General diagonalize (703.11830s) started
T01 << 1462341652.05374098 General diagonalize (705.81494s) stopped
T01 >> 1462341652.05379009 Redistribute coefs (0.72603s) started
T01 << 1462341652.05679798 Redistribute coefs (0.72903s) stopped
T01 >> 1462341652.05683398 Send coefs to domains (13.07119s) started
T01 << 1462341652.10811496 Send coefs to domains (13.12247s) stopped
T01 << 1462341652.10843992 Blacs Orbital Layouts (720.04413s) stopped
T01 >> 1462341652.10847592 Calculate projections (662.84146s) started
T01 << 1462341654.57230091 Calculate projections (665.30528s) stopped
T01 << 1462341654.57255507 LCAO eigensolver (2105.77633s) stopped
T01 << 1462341654.57319498 SCF-cycle (8490.45405s) stopped
T01 >> 1462341655.47675991 Force calculation (316.64483s) started
T01 >> 1462341655.47680497 LCAO forces (203.38625s) started
T01 >> 1462341655.47713304 Initial (0.00024s) started
T01 << 1462341655.47714305 Initial (0.00025s) stopped
T01 >> 1462341655.48147702 Get density matrix (39.15439s) started
T01 << 1462341656.08417010 Get density matrix (39.75708s) stopped
T01 >> 1462341656.08421993 Potential (14.70736s) started
T01 << 1462341657.45388889 Potential (16.07703s) stopped
T01 >> 1462341657.45394206 Get density matrix (39.75711s) started
T01 << 1462341660.56977201 Get density matrix (42.87294s) stopped
T01 >> 1462341660.56985593 Prepare TCI loop (20.85363s) started
T01 >> 1462341660.57027006 Get neighbors (17.66708s) started
T01 << 1462341662.15751791 Get neighbors (19.25432s) stopped
T01 >> 1462341662.15773392 broadcast dH (3.17912s) started
T01 << 1462341662.34142804 broadcast dH (3.36281s) stopped
T01 << 1462341662.34147191 Prepare TCI loop (22.62525s) stopped
T01 >> 1462341662.34149098 Not so complicated loop (28.23940s) started
T01 << 1462341664.94696689 Not so complicated loop (30.84488s) stopped
T01 >> 1462341665.05064988 Complicated loop (99.12711s) started
T01 << 1462341674.01315594 Complicated loop (108.08962s) stopped
T01 >> 1462341674.02536893 Wait for sum (0.00055s) started
T01 << 1462341674.02540994 Wait for sum (0.00060s) stopped
T01 << 1462341674.02542210 LCAO forces (221.93487s) stopped
T01 << 1462341684.68325305 Force calculation (345.85132s) stopped
T01 >> 1462341684.70070791 Initialization (596.54276s) started
T01 << 1462341684.70087504 Initialization (596.54292s) stopped
T01 >> 1462341684.70112109 Initialization (596.54294s) started
T01 << 1462341684.70124888 Initialization (596.54307s) stopped
T01 >> 1462341684.70138001 Initialization (596.54308s) started
T01 << 1462341684.70150995 Initialization (596.54321s) stopped
T01 >> 1462341705.09484196 Initialization (596.54323s) started
T01 >> 1462341705.09636211 Basic WFS set positions (1.14474s) started
T01 >> 1462341705.09638309 Redistribute (0.02511s) started
T01 << 1462341705.09650993 Redistribute (0.02524s) stopped
T01 << 1462341705.18913889 Basic WFS set positions (1.23751s) stopped
T01 >> 1462341705.18916702 Basis functions set positions (5.08935s) started
T01 << 1462341705.60576606 Basis functions set positions (5.50595s) stopped
T01 >> 1462341705.60639501 TCI: Calculate S, T, P (176.66721s) started
T01 << 1462341720.19491792 TCI: Calculate S, T, P (191.25574s) stopped
T01 >> 1462341720.19497895 blocked summation (48.67944s) started
T01 << 1462341724.51054692 blocked summation (52.99500s) stopped
T01 >> 1462341724.51197004 Scalapack redistribute (2.32522s) started
T01 << 1462341724.57374597 Scalapack redistribute (2.38700s) stopped
T01 >> 1462341724.57407093 blocked summation (52.99504s) started
T01 << 1462341724.74284506 blocked summation (53.16381s) stopped
T01 >> 1462341724.74465799 Scalapack redistribute (2.38705s) started
T01 << 1462341724.94395208 Scalapack redistribute (2.58634s) stopped
T01 >> 1462341724.94521308 Redistribute (0.02179s) started
T01 << 1462341724.94608593 Redistribute (0.02266s) stopped
T01 >> 1462341725.86066103 Redistribute (0.02268s) started
T01 << 1462341725.86138892 Redistribute (0.02341s) stopped
T01 >> 1462341725.86967492 LCAO WFS Initialize (348.77247s) started
T01 >> 1462341725.86970305 Density initialize from wavefunctions (13.19789s) started
T01 >> 1462341725.87003112 Calculate density matrix (7.70320s) started
T01 << 1462341726.58370304 Calculate density matrix (8.41687s) stopped
T01 >> 1462341726.58377910 Construct density (1.84728s) started
T01 << 1462341726.75522304 Construct density (2.01873s) stopped
T01 >> 1462341726.75650811 Symmetrize density (0.00045s) started
T01 << 1462341726.75653505 Symmetrize density (0.00048s) stopped
T01 << 1462341727.08672690 Density initialize from wavefunctions (14.41492s) stopped
T01 >> 1462341727.08724594 Hamiltonian (335.37307s) started
T01 >> 1462341727.08727694 vbar (0.14977s) started
T01 << 1462341727.10029411 vbar (0.16279s) stopped
T01 >> 1462341727.10038900 XC 3D grid (121.41768s) started
T01 >> 1462341727.27608609 van der Waals (117.14122s) started
T01 >> 1462341727.31680202 semilocal (26.71953s) started
T01 << 1462341729.55530000 semilocal (28.95803s) stopped
T01 >> 1462341729.58461404 redistribute (13.47235s) started
T01 << 1462341729.95382094 redistribute (13.84155s) stopped
T01 >> 1462341729.95386100 libvdwxc nonlocal (76.06846s) started
T01 << 1462341736.41257000 libvdwxc nonlocal (82.52717s) stopped
T01 >> 1462341736.41263795 redistribute (13.84158s) started
T01 << 1462341737.17302203 redistribute (14.60197s) stopped
T01 << 1462341737.17445803 van der Waals (127.03959s) stopped
T01 << 1462341737.35414791 XC 3D grid (131.67144s) stopped
T01 >> 1462341737.35419893 Poisson (58.00632s) started
T01 << 1462341741.96697497 Poisson (62.61910s) stopped
T01 >> 1462341741.96706009 Hartree integrate/restrict (0.95412s) started
T01 << 1462341741.98195696 Hartree integrate/restrict (0.96902s) stopped
T01 >> 1462341741.98200703 Hartree integrate/restrict (0.96905s) started
T01 << 1462341742.04770303 Hartree integrate/restrict (1.03475s) stopped
T01 >> 1462341742.07132006 Atomic (79.16801s) started
T01 >> 1462341742.08118892 XC Correction (79.01562s) started
T01 << 1462341748.53583694 XC Correction (85.47026s) stopped
T01 << 1462341748.53875399 Atomic (85.63544s) stopped
T01 >> 1462341748.53890109 Communicate (75.39297s) started
T01 << 1462341755.03284502 Communicate (81.88691s) stopped
T01 << 1462341755.03287411 Hamiltonian (363.31870s) stopped
T01 << 1462341755.03291392 LCAO WFS Initialize (377.93571s) stopped
T01 << 1462341755.04490590 Initialization (646.49329s) stopped
T01 >> 1462341755.06867099 SCF-cycle (8490.45406s) started
T01 >> 1462341755.06870294 LCAO eigensolver (2105.77635s) started
T01 >> 1462341755.06871510 Potential matrix (66.92162s) started
T01 << 1462341755.32591510 Potential matrix (67.17882s) stopped
T01 >> 1462341755.32598090 DistributedAtomicCorrection (350.15882s) started
T01 << 1462341756.58282399 DistributedAtomicCorrection (351.41566s) stopped
T01 >> 1462341756.58287811 Distribute overlap matrix (303.12827s) started
T01 >> 1462341756.58289790 blocked summation (287.53059s) started
T01 << 1462341757.77909994 blocked summation (288.72679s) stopped
T01 >> 1462341757.77988005 Scalapack redistribute (15.23645s) started
T01 << 1462341757.83185410 Scalapack redistribute (15.28842s) stopped
T01 << 1462341757.83191299 Distribute overlap matrix (304.37730s) stopped
T01 >> 1462341757.83245993 Blacs Orbital Layouts (720.04414s) started
T01 >> 1462341757.83303595 General diagonalize (705.81497s) started
T01 << 1462341760.53253508 General diagonalize (708.51447s) stopped
T01 >> 1462341760.53257608 Redistribute coefs (0.72906s) started
T01 << 1462341760.53511810 Redistribute coefs (0.73160s) stopped
T01 >> 1462341760.53515601 Send coefs to domains (13.12254s) started
T01 << 1462341760.58944106 Send coefs to domains (13.17683s) stopped
T01 << 1462341760.58951807 Blacs Orbital Layouts (722.80120s) stopped
T01 >> 1462341760.58954096 Calculate projections (665.30533s) started
T01 << 1462341763.05122304 Calculate projections (667.76701s) stopped
T01 << 1462341763.05128694 LCAO eigensolver (2113.75893s) stopped
T01 >> 1462341763.05190802 Density (516.99380s) started
T01 >> 1462341763.05191994 Pseudo density (427.22055s) started
T01 >> 1462341763.05222797 Calculate density matrix (384.43115s) started
T01 << 1462341764.65236211 Calculate density matrix (386.03128s) stopped
T01 >> 1462341764.65244198 Construct density (42.20509s) started
T01 << 1462341764.82378697 Construct density (42.37644s) stopped
T01 >> 1462341764.82490611 Symmetrize density (0.01057s) started
T01 << 1462341764.82493806 Symmetrize density (0.01060s) stopped
T01 << 1462341764.82529902 Pseudo density (428.99393s) stopped
T01 >> 1462341764.82531810 Atomic density matrices (59.43227s) started
T01 << 1462341765.06099010 Atomic density matrices (59.66795s) stopped
T01 >> 1462341765.06102395 Multipole moments (0.95785s) started
T01 << 1462341765.06499696 Multipole moments (0.96183s) stopped
T01 >> 1462341765.06501889 Normalize (0.25679s) started
T01 << 1462341765.06596589 Normalize (0.25773s) stopped
T01 >> 1462341765.06600595 Mix (29.11037s) started
T01 << 1462341765.16697693 Mix (29.21134s) stopped
T01 << 1462341765.16704512 Density (519.10894s) stopped
T01 >> 1462341765.16712403 Hamiltonian (5867.47501s) started
T01 >> 1462341765.16714311 vbar (3.02889s) started
T01 << 1462341765.18139791 vbar (3.04314s) stopped
T01 >> 1462341765.18149996 XC 3D grid (2542.84959s) started
T01 >> 1462341765.36398196 van der Waals (2453.32379s) started
T01 >> 1462341765.40554905 semilocal (559.38686s) started
T01 << 1462341767.63766789 semilocal (561.61898s) stopped
T01 >> 1462341767.66695309 redistribute (282.59794s) started
T01 << 1462341768.03739810 redistribute (282.96838s) stopped
T01 >> 1462341768.03745198 libvdwxc nonlocal (1592.80788s) started
T01 << 1462341774.47159910 libvdwxc nonlocal (1599.24203s) stopped
T01 >> 1462341774.47166705 redistribute (282.96842s) started
T01 << 1462341775.23824501 redistribute (283.73499s) stopped
T01 << 1462341775.23990011 van der Waals (2463.19971s) stopped
T01 << 1462341775.42006397 XC 3D grid (2553.08815s) stopped
T01 >> 1462341775.42010498 Poisson (539.61503s) started
T01 << 1462341777.75215197 Poisson (541.94707s) stopped
T01 >> 1462341777.75221610 Hartree integrate/restrict (20.04211s) started
T01 << 1462341777.76696801 Hartree integrate/restrict (20.05686s) stopped
T01 >> 1462341777.76706100 Hartree integrate/restrict (20.05694s) started
T01 << 1462341777.83357096 Hartree integrate/restrict (20.12345s) stopped
T01 >> 1462341777.85636902 Atomic (1565.64705s) started
T01 >> 1462341777.86599398 XC Correction (1562.48762s) started
T01 << 1462341784.38494110 XC Correction (1569.00657s) stopped
T01 << 1462341784.38781190 Atomic (1572.17849s) stopped
T01 >> 1462341784.38789701 Communicate (1190.72312s) started
T01 << 1462341790.55824804 Communicate (1196.89347s) stopped
T01 << 1462341790.55827594 Hamiltonian (5892.86616s) stopped
T01 >> 1462341790.55832696 LCAO eigensolver (2113.75894s) started
T01 >> 1462341790.55833912 Potential matrix (67.17885s) started
T01 << 1462341790.81535411 Potential matrix (67.43587s) stopped
T01 >> 1462341790.81541991 DistributedAtomicCorrection (351.41570s) started
T01 << 1462341792.07290006 DistributedAtomicCorrection (352.67318s) stopped
T01 >> 1462341792.07295108 Distribute overlap matrix (304.37731s) started
T01 >> 1462341792.07297111 blocked summation (288.72683s) started
T01 << 1462341793.27946401 blocked summation (289.93332s) stopped
T01 >> 1462341793.28025007 Scalapack redistribute (15.28845s) started
T01 << 1462341793.33878994 Scalapack redistribute (15.34699s) stopped
T01 << 1462341793.33884096 Distribute overlap matrix (305.64320s) stopped
T01 >> 1462341793.33941603 Blacs Orbital Layouts (722.80121s) started
T01 >> 1462341793.33998799 General diagonalize (708.51450s) started
T01 << 1462341796.01182604 General diagonalize (711.18634s) stopped
T01 >> 1462341796.01187491 Redistribute coefs (0.73163s) started
T01 << 1462341796.01418900 Redistribute coefs (0.73395s) stopped
T01 >> 1462341796.01425004 Send coefs to domains (13.17689s) started
T01 << 1462341796.06703997 Send coefs to domains (13.22968s) stopped
T01 << 1462341796.06711793 Blacs Orbital Layouts (725.52891s) stopped
T01 >> 1462341796.06715488 Calculate projections (667.76706s) started
T01 << 1462341798.52877593 Calculate projections (670.22868s) stopped
T01 << 1462341798.52884102 LCAO eigensolver (2121.72946s) stopped
T01 >> 1462341798.52948689 Density (519.10895s) started
T01 >> 1462341798.52949905 Pseudo density (428.99395s) started
T01 >> 1462341798.52982712 Calculate density matrix (386.03134s) started
T01 << 1462341800.12524009 Calculate density matrix (387.62675s) stopped
T01 >> 1462341800.12531996 Construct density (42.37647s) started
T01 << 1462341800.29640508 Construct density (42.54755s) stopped
T01 >> 1462341800.29749990 Symmetrize density (0.01061s) started
T01 << 1462341800.29753089 Symmetrize density (0.01064s) stopped
T01 << 1462341800.29789090 Pseudo density (430.76234s) stopped
T01 >> 1462341800.29790998 Atomic density matrices (59.66797s) started
T01 << 1462341800.53435707 Atomic density matrices (59.90442s) stopped
T01 >> 1462341800.53439093 Multipole moments (0.96184s) started
T01 << 1462341800.53841209 Multipole moments (0.96586s) stopped
T01 >> 1462341800.53843403 Normalize (0.25776s) started
T01 << 1462341800.53938007 Normalize (0.25871s) stopped
T01 >> 1462341800.53942299 Mix (29.21140s) started
T01 << 1462341800.64447999 Mix (29.31646s) stopped
T01 << 1462341800.64452696 Density (521.22399s) stopped
T01 >> 1462341800.64459991 Hamiltonian (5892.86617s) started
T01 >> 1462341800.64463902 vbar (3.04320s) started
T01 << 1462341800.65874600 vbar (3.05731s) stopped
T01 >> 1462341800.65881300 XC 3D grid (2553.08818s) started
T01 >> 1462341800.84321189 van der Waals (2463.19980s) started
T01 >> 1462341800.88412499 semilocal (561.61902s) started
T01 << 1462341803.11908388 semilocal (563.85398s) stopped
T01 >> 1462341803.14896989 redistribute (283.73503s) started
T01 << 1462341803.52258992 redistribute (284.10865s) stopped
T01 >> 1462341803.52280498 libvdwxc nonlocal (1599.24208s) started
T01 << 1462341809.96343303 libvdwxc nonlocal (1605.68271s) stopped
T01 >> 1462341809.96349812 redistribute (284.10869s) started
T01 << 1462341810.73064399 redistribute (284.87583s) stopped
T01 << 1462341810.73206902 van der Waals (2473.08866s) stopped
T01 << 1462341810.91446900 XC 3D grid (2563.34384s) stopped
T01 >> 1462341810.91450810 Poisson (541.94712s) started
T01 << 1462341813.24226594 Poisson (544.27488s) stopped
T01 >> 1462341813.24233198 Hartree integrate/restrict (20.12348s) started
T01 << 1462341813.25716710 Hartree integrate/restrict (20.13831s) stopped
T01 >> 1462341813.25721788 Hartree integrate/restrict (20.13834s) started
T01 << 1462341813.32435298 Hartree integrate/restrict (20.20548s) stopped
T01 >> 1462341813.34677792 Atomic (1572.17851s) started
T01 >> 1462341813.35634589 XC Correction (1569.00659s) started
T01 << 1462341819.57919693 XC Correction (1575.22944s) stopped
T01 << 1462341819.58205199 Atomic (1578.41378s) stopped
T01 >> 1462341819.58213210 Communicate (1196.89349s) started
T01 << 1462341825.01718712 Communicate (1202.32854s) stopped
T01 << 1462341825.01721406 Hamiltonian (5917.23879s) stopped
T01 >> 1462341825.01726604 LCAO eigensolver (2121.72947s) started
T01 >> 1462341825.01727891 Potential matrix (67.43590s) started
T01 << 1462341825.27475405 Potential matrix (67.69338s) stopped
T01 >> 1462341825.27481890 DistributedAtomicCorrection (352.67321s) started
T01 << 1462341826.53628898 DistributedAtomicCorrection (353.93468s) stopped
T01 >> 1462341826.53634000 Distribute overlap matrix (305.64321s) started
T01 >> 1462341826.53636003 blocked summation (289.93335s) started
T01 << 1462341827.73136997 blocked summation (291.12836s) stopped
T01 >> 1462341827.73214602 Scalapack redistribute (15.34702s) started
T01 << 1462341827.78612494 Scalapack redistribute (15.40100s) stopped
T01 << 1462341827.78617692 Distribute overlap matrix (306.89305s) stopped
T01 >> 1462341827.78675008 Blacs Orbital Layouts (725.52892s) started
T01 >> 1462341827.78731894 General diagonalize (711.18637s) started
T01 << 1462341830.49162006 General diagonalize (713.89067s) stopped
T01 >> 1462341830.49166703 Redistribute coefs (0.73398s) started
T01 << 1462341830.49412704 Redistribute coefs (0.73644s) stopped
T01 >> 1462341830.49416494 Send coefs to domains (13.22975s) started
T01 << 1462341830.54756188 Send coefs to domains (13.28314s) stopped
T01 << 1462341830.54763699 Blacs Orbital Layouts (728.28981s) stopped
T01 >> 1462341830.54766893 Calculate projections (670.22873s) started
T01 << 1462341833.00915194 Calculate projections (672.69021s) stopped
T01 << 1462341833.00921893 LCAO eigensolver (2129.72142s) stopped
T01 >> 1462341833.00989509 Density (521.22401s) started
T01 >> 1462341833.00990701 Pseudo density (430.76235s) started
T01 >> 1462341833.01023006 Calculate density matrix (387.62681s) started
T01 << 1462341834.60696411 Calculate density matrix (389.22354s) stopped
T01 >> 1462341834.60704803 Construct density (42.54759s) started
T01 << 1462341834.77793789 Construct density (42.71848s) stopped
T01 >> 1462341834.77904797 Symmetrize density (0.01065s) started
T01 << 1462341834.77907896 Symmetrize density (0.01068s) stopped
T01 << 1462341834.77943397 Pseudo density (432.53188s) stopped
T01 >> 1462341834.77945304 Atomic density matrices (59.90444s) started
T01 << 1462341835.01492596 Atomic density matrices (60.13991s) stopped
T01 >> 1462341835.01496005 Multipole moments (0.96588s) started
T01 << 1462341835.01892209 Multipole moments (0.96984s) stopped
T01 >> 1462341835.01894403 Normalize (0.25874s) started
T01 << 1462341835.01987600 Normalize (0.25968s) stopped
T01 >> 1462341835.01991796 Mix (29.31651s) started
T01 << 1462341835.12834811 Mix (29.42494s) stopped
T01 << 1462341835.12842798 Density (523.34254s) stopped
T01 >> 1462341835.12850595 Hamiltonian (5917.23880s) started
T01 >> 1462341835.12852502 vbar (3.05734s) started
T01 << 1462341835.14255500 vbar (3.07137s) stopped
T01 >> 1462341835.14261699 XC 3D grid (2563.34387s) started
T01 >> 1462341835.31455398 van der Waals (2473.08871s) started
T01 >> 1462341835.35614300 semilocal (563.85403s) started
T01 << 1462341837.58547902 semilocal (566.08337s) stopped
T01 >> 1462341837.61534691 redistribute (284.87587s) started
T01 << 1462341838.00194502 redistribute (285.26247s) stopped
T01 >> 1462341838.00199509 libvdwxc nonlocal (1605.68276s) started
T01 << 1462341844.46193790 libvdwxc nonlocal (1612.14270s) stopped
T01 >> 1462341844.46200490 redistribute (285.26249s) started
T01 << 1462341845.22612190 redistribute (286.02661s) stopped
T01 << 1462341845.22750998 van der Waals (2483.00167s) stopped
T01 << 1462341845.40917397 XC 3D grid (2573.61043s) stopped
T01 >> 1462341845.40922904 Poisson (544.27493s) started
T01 << 1462341847.73691010 Poisson (546.60261s) stopped
T01 >> 1462341847.73700905 Hartree integrate/restrict (20.20551s) started
T01 << 1462341847.75201011 Hartree integrate/restrict (20.22051s) stopped
T01 >> 1462341847.75205898 Hartree integrate/restrict (20.22054s) started
T01 << 1462341847.81828094 Hartree integrate/restrict (20.28676s) stopped
T01 >> 1462341847.84100699 Atomic (1578.41380s) started
T01 >> 1462341847.85064197 XC Correction (1575.22946s) started
T01 << 1462341853.92791390 XC Correction (1581.30674s) stopped
T01 << 1462341853.93077493 Atomic (1584.50357s) stopped
T01 >> 1462341853.93085909 Communicate (1202.32856s) started
T01 << 1462341858.99978590 Communicate (1207.39749s) stopped
T01 << 1462341858.99981999 Hamiltonian (5941.11011s) stopped
T01 >> 1462341858.99990392 LCAO eigensolver (2129.72144s) started
T01 >> 1462341858.99991703 Potential matrix (67.69342s) started
T01 << 1462341859.25618291 Potential matrix (67.94968s) stopped
T01 >> 1462341859.25625610 DistributedAtomicCorrection (353.93471s) started
T01 << 1462341860.53695607 DistributedAtomicCorrection (355.21541s) stopped
T01 >> 1462341860.53701997 Distribute overlap matrix (306.89306s) started
T01 >> 1462341860.53704190 blocked summation (291.12839s) started
T01 << 1462341861.75847101 blocked summation (292.34982s) stopped
T01 >> 1462341861.75994205 Scalapack redistribute (15.40102s) started
T01 << 1462341861.82049489 Scalapack redistribute (15.46157s) stopped
T01 << 1462341861.82057095 Distribute overlap matrix (308.17661s) stopped
T01 >> 1462341861.82124805 Blacs Orbital Layouts (728.28982s) started
T01 >> 1462341861.82243705 General diagonalize (713.89070s) started
T01 << 1462341864.52124691 General diagonalize (716.58951s) stopped
T01 >> 1462341864.52130890 Redistribute coefs (0.73647s) started
T01 << 1462341864.52427793 Redistribute coefs (0.73944s) stopped
T01 >> 1462341864.52435207 Send coefs to domains (13.28320s) started
T01 << 1462341864.57476711 Send coefs to domains (13.33362s) stopped
T01 << 1462341864.57482100 Blacs Orbital Layouts (731.04340s) stopped
T01 >> 1462341864.57486200 Calculate projections (672.69026s) started
T01 << 1462341867.05465508 Calculate projections (675.17005s) stopped
T01 << 1462341867.05473995 LCAO eigensolver (2137.77627s) stopped
T01 >> 1462341867.05550790 Density (523.34256s) started
T01 >> 1462341867.05552101 Pseudo density (432.53190s) started
T01 >> 1462341867.05594110 Calculate density matrix (389.22359s) started
T01 << 1462341868.62512493 Calculate density matrix (390.79278s) stopped
T01 >> 1462341868.62521005 Construct density (42.71851s) started
T01 << 1462341868.79752588 Construct density (42.89082s) stopped
T01 >> 1462341868.79895997 Symmetrize density (0.01069s) started
T01 << 1462341868.79899311 Symmetrize density (0.01073s) stopped
T01 << 1462341868.79943705 Pseudo density (434.27581s) stopped
T01 >> 1462341868.79945588 Atomic density matrices (60.13994s) started
T01 << 1462341869.03465295 Atomic density matrices (60.37513s) stopped
T01 >> 1462341869.03469706 Multipole moments (0.96986s) started
T01 << 1462341869.03864098 Multipole moments (0.97380s) stopped
T01 >> 1462341869.03866696 Normalize (0.25971s) started
T01 << 1462341869.03972006 Normalize (0.26076s) stopped
T01 >> 1462341869.03975511 Mix (29.42501s) started
T01 << 1462341869.15859604 Mix (29.54385s) stopped
T01 << 1462341869.15867901 Density (525.44573s) stopped
T01 >> 1462341869.15877199 Hamiltonian (5941.11013s) started
T01 >> 1462341869.15879393 vbar (3.07140s) started
T01 << 1462341869.17508411 vbar (3.08769s) stopped
T01 >> 1462341869.17514610 XC 3D grid (2573.61047s) started
T01 >> 1462341869.34523106 van der Waals (2483.00171s) started
T01 >> 1462341869.39012194 semilocal (566.08344s) started
T01 << 1462341871.61994505 semilocal (568.31327s) stopped
T01 >> 1462341871.65192103 redistribute (286.02665s) started
T01 << 1462341872.02928400 redistribute (286.40401s) stopped
T01 >> 1462341872.02935290 libvdwxc nonlocal (1612.14275s) started
T01 << 1462341878.75166893 libvdwxc nonlocal (1618.86507s) stopped
T01 >> 1462341878.75172806 redistribute (286.40405s) started
T01 << 1462341879.38903904 redistribute (287.04136s) stopped
T01 << 1462341879.39021397 van der Waals (2493.04669s) stopped
T01 << 1462341879.57223010 XC 3D grid (2584.00755s) stopped
T01 >> 1462341879.57227802 Poisson (546.60269s) started
T01 << 1462341881.93111205 Poisson (548.96152s) stopped
T01 >> 1462341881.93120289 Hartree integrate/restrict (20.28679s) started
T01 << 1462341881.95019698 Hartree integrate/restrict (20.30578s) stopped
T01 >> 1462341881.95027089 Hartree integrate/restrict (20.30583s) started
T01 << 1462341882.01809001 Hartree integrate/restrict (20.37365s) stopped
T01 >> 1462341882.03447104 Atomic (1584.50359s) started
T01 >> 1462341882.04428697 XC Correction (1581.30676s) started
T01 << 1462341888.13026309 XC Correction (1587.39273s) stopped
T01 << 1462341888.13326311 Atomic (1590.60238s) stopped
T01 >> 1462341888.13336205 Communicate (1207.39751s) started
T01 << 1462341892.92183590 Communicate (1212.18598s) stopped
T01 << 1462341892.92186594 Hamiltonian (5964.87322s) stopped
T01 >> 1462341892.92193604 LCAO eigensolver (2137.77629s) started
T01 >> 1462341892.92194891 Potential matrix (67.94972s) started
T01 << 1462341893.17763901 Potential matrix (68.20541s) stopped
T01 >> 1462341893.17771912 DistributedAtomicCorrection (355.21545s) started
T01 << 1462341894.47427106 DistributedAtomicCorrection (356.51200s) stopped
T01 >> 1462341894.47433400 Distribute overlap matrix (308.17663s) started
T01 >> 1462341894.47435594 blocked summation (292.34986s) started
T01 << 1462341895.63475800 blocked summation (293.51026s) stopped
T01 >> 1462341895.63624310 Scalapack redistribute (15.46161s) started
T01 << 1462341895.69400597 Scalapack redistribute (15.51938s) stopped
T01 << 1462341895.69407701 Distribute overlap matrix (309.39637s) stopped
T01 >> 1462341895.69472289 Blacs Orbital Layouts (731.04341s) started
T01 >> 1462341895.69573593 General diagonalize (716.58955s) started
T01 << 1462341898.37634611 General diagonalize (719.27016s) stopped
T01 >> 1462341898.37640905 Redistribute coefs (0.73947s) started
T01 << 1462341898.38004899 Redistribute coefs (0.74311s) stopped
T01 >> 1462341898.38009596 Send coefs to domains (13.33366s) started
T01 << 1462341898.43127298 Send coefs to domains (13.38484s) stopped
T01 << 1462341898.43132496 Blacs Orbital Layouts (733.78001s) stopped
T01 >> 1462341898.43136406 Calculate projections (675.17011s) started
T01 << 1462341900.91121507 Calculate projections (677.64996s) stopped
T01 << 1462341900.91129899 LCAO eigensolver (2145.76565s) stopped
T01 >> 1462341900.91205001 Density (525.44574s) started
T01 >> 1462341900.91206288 Pseudo density (434.27583s) started
T01 >> 1462341900.91246796 Calculate density matrix (390.79282s) started
T01 << 1462341902.49546790 Calculate density matrix (392.37582s) stopped
T01 >> 1462341902.49555802 Construct density (42.89086s) started
T01 << 1462341902.66780901 Construct density (43.06311s) stopped
T01 >> 1462341902.66921997 Symmetrize density (0.01074s) started
T01 << 1462341902.66925406 Symmetrize density (0.01077s) stopped
T01 << 1462341902.66971707 Pseudo density (436.03348s) stopped
T01 >> 1462341902.66973710 Atomic density matrices (60.37516s) started
T01 << 1462341902.90524793 Atomic density matrices (60.61067s) stopped
T01 >> 1462341902.90528893 Multipole moments (0.97381s) started
T01 << 1462341902.90923595 Multipole moments (0.97776s) stopped
T01 >> 1462341902.90925789 Normalize (0.26079s) started
T01 << 1462341902.91029596 Normalize (0.26182s) stopped
T01 >> 1462341902.91033006 Mix (29.54393s) started
T01 << 1462341903.03124189 Mix (29.66485s) stopped
T01 << 1462341903.03131008 Density (527.56500s) stopped
T01 >> 1462341903.03139400 Hamiltonian (5964.87323s) started
T01 >> 1462341903.03147888 vbar (3.08772s) started
T01 << 1462341903.04718208 vbar (3.10343s) stopped
T01 >> 1462341903.04724407 XC 3D grid (2584.00759s) started
T01 >> 1462341903.22322011 van der Waals (2493.04675s) started
T01 >> 1462341903.26695395 semilocal (568.31339s) started
T01 << 1462341905.50064707 semilocal (570.54708s) stopped
T01 >> 1462341905.53230095 redistribute (287.04141s) started
T01 << 1462341905.91841006 redistribute (287.42752s) stopped
T01 >> 1462341905.91847992 libvdwxc nonlocal (1618.86511s) started
T01 << 1462341912.61728001 libvdwxc nonlocal (1625.56391s) stopped
T01 >> 1462341912.61735106 redistribute (287.42756s) started
T01 << 1462341913.24824595 redistribute (288.05845s) stopped
T01 << 1462341913.24945211 van der Waals (2503.07298s) stopped
T01 << 1462341913.43052411 XC 3D grid (2594.39087s) stopped
T01 >> 1462341913.43057394 Poisson (548.96159s) started
T01 << 1462341915.79583311 Poisson (551.32685s) stopped
T01 >> 1462341915.79591393 Hartree integrate/restrict (20.37370s) started
T01 << 1462341915.81485200 Hartree integrate/restrict (20.39263s) stopped
T01 >> 1462341915.81491899 Hartree integrate/restrict (20.39268s) started
T01 << 1462341915.87751508 Hartree integrate/restrict (20.45527s) stopped
T01 >> 1462341915.89996409 Atomic (1590.60239s) started
T01 >> 1462341915.90984011 XC Correction (1587.39276s) started
T01 << 1462341922.02126598 XC Correction (1593.50418s) stopped
T01 << 1462341922.02428007 Atomic (1596.72671s) stopped
T01 >> 1462341922.02438211 Communicate (1212.18600s) started
T01 << 1462341926.70755506 Communicate (1216.86918s) stopped
T01 << 1462341926.70758605 Hamiltonian (5988.54942s) stopped
T01 >> 1462341926.70765710 LCAO eigensolver (2145.76566s) started
T01 >> 1462341926.70767403 Potential matrix (68.20546s) started
T01 << 1462341926.96290994 Potential matrix (68.46069s) stopped
T01 >> 1462341926.96298409 DistributedAtomicCorrection (356.51204s) started
T01 << 1462341928.23534393 DistributedAtomicCorrection (357.78440s) stopped
T01 >> 1462341928.23540592 Distribute overlap matrix (309.39638s) started
T01 >> 1462341928.23542809 blocked summation (293.51031s) started
T01 << 1462341929.44602704 blocked summation (294.72091s) stopped
T01 >> 1462341929.44757605 Scalapack redistribute (15.51941s) started
T01 << 1462341929.50881910 Scalapack redistribute (15.58065s) stopped
T01 << 1462341929.50889111 Distribute overlap matrix (310.66987s) stopped
T01 >> 1462341929.50953293 Blacs Orbital Layouts (733.78002s) started
T01 >> 1462341929.51095295 General diagonalize (719.27020s) started
T01 << 1462341932.20376897 General diagonalize (721.96302s) stopped
T01 >> 1462341932.20383000 Redistribute coefs (0.74315s) started
T01 << 1462341932.20745301 Redistribute coefs (0.74677s) stopped
T01 >> 1462341932.20750189 Send coefs to domains (13.38488s) started
T01 << 1462341932.25654006 Send coefs to domains (13.43392s) stopped
T01 << 1462341932.25687099 Blacs Orbital Layouts (736.52736s) stopped
T01 >> 1462341932.25692201 Calculate projections (677.65002s) started
T01 << 1462341934.73682904 Calculate projections (680.12993s) stopped
T01 << 1462341934.73691106 LCAO eigensolver (2153.79492s) stopped
T01 >> 1462341934.73763895 Density (527.56502s) started
T01 >> 1462341934.73765111 Pseudo density (436.03349s) started
T01 >> 1462341934.73805404 Calculate density matrix (392.37587s) started
T01 << 1462341936.31972098 Calculate density matrix (393.95753s) stopped
T01 >> 1462341936.31980801 Construct density (43.06315s) started
T01 << 1462341936.49164295 Construct density (43.23499s) stopped
T01 >> 1462341936.49306893 Symmetrize density (0.01078s) started
T01 << 1462341936.49310207 Symmetrize density (0.01082s) stopped
T01 << 1462341936.49354506 Pseudo density (437.78939s) stopped
T01 >> 1462341936.49356508 Atomic density matrices (60.61070s) started
T01 << 1462341936.72983694 Atomic density matrices (60.84697s) stopped
T01 >> 1462341936.72987700 Multipole moments (0.97778s) started
T01 << 1462341936.73381591 Multipole moments (0.98171s) stopped
T01 >> 1462341936.73383999 Normalize (0.26185s) started
T01 << 1462341936.73488212 Normalize (0.26289s) stopped
T01 >> 1462341936.73491693 Mix (29.66491s) started
T01 << 1462341936.85718298 Mix (29.78718s) stopped
T01 << 1462341936.85723710 Density (529.68462s) stopped
T01 >> 1462341936.85732603 Hamiltonian (5988.54943s) started
T01 >> 1462341936.85734606 vbar (3.10346s) started
T01 << 1462341936.87297297 vbar (3.11909s) stopped
T01 >> 1462341936.87306404 XC 3D grid (2594.39091s) started
T01 >> 1462341937.04320002 van der Waals (2503.07303s) started
T01 >> 1462341937.08643699 semilocal (570.54719s) started
T01 << 1462341939.32093096 semilocal (572.78168s) stopped
T01 >> 1462341939.35230494 redistribute (288.05851s) started
T01 << 1462341939.73020196 redistribute (288.43640s) stopped
T01 >> 1462341939.73027205 libvdwxc nonlocal (1625.56395s) started
T01 << 1462341946.44295406 libvdwxc nonlocal (1632.27663s) stopped
T01 >> 1462341946.44301295 redistribute (288.43644s) started
T01 << 1462341947.07998490 redistribute (289.07342s) stopped
T01 << 1462341947.08144689 van der Waals (2513.11128s) stopped
T01 << 1462341947.26161098 XC 3D grid (2604.77946s) stopped
T01 >> 1462341947.26167798 Poisson (551.32691s) started
T01 << 1462341949.62310791 Poisson (553.68834s) stopped
T01 >> 1462341949.62323689 Hartree integrate/restrict (20.45531s) started
T01 << 1462341949.64192104 Hartree integrate/restrict (20.47399s) stopped
T01 >> 1462341949.64209390 Hartree integrate/restrict (20.47412s) started
T01 << 1462341949.70441008 Hartree integrate/restrict (20.53643s) stopped
T01 >> 1462341949.72735405 Atomic (1596.72673s) started
T01 >> 1462341949.73725200 XC Correction (1593.50420s) started
T01 << 1462341955.85554099 XC Correction (1599.62249s) stopped
T01 << 1462341955.85856009 Atomic (1602.85793s) stopped
T01 >> 1462341955.85865808 Communicate (1216.86920s) started
T01 << 1462341960.55481791 Communicate (1221.56536s) stopped
T01 << 1462341960.55484605 Hamiltonian (6012.24695s) stopped
T01 >> 1462341960.55491710 LCAO eigensolver (2153.79493s) started
T01 >> 1462341960.55493093 Potential matrix (68.46073s) started
T01 << 1462341960.81240511 Potential matrix (68.71821s) stopped
T01 >> 1462341960.81248593 DistributedAtomicCorrection (357.78444s) started
T01 << 1462341962.08661699 DistributedAtomicCorrection (359.05857s) stopped
T01 >> 1462341962.08668089 Distribute overlap matrix (310.66988s) started
T01 >> 1462341962.08670402 blocked summation (294.72095s) started
T01 << 1462341963.27312303 blocked summation (295.90737s) stopped
T01 >> 1462341963.27462196 Scalapack redistribute (15.58069s) started
T01 << 1462341963.33668399 Scalapack redistribute (15.64275s) stopped
T01 << 1462341963.33676100 Distribute overlap matrix (311.91996s) stopped
T01 >> 1462341963.33741093 Blacs Orbital Layouts (736.52738s) started
T01 >> 1462341963.33955908 General diagonalize (721.96306s) started
T01 << 1462341966.04099393 General diagonalize (724.66449s) stopped
T01 >> 1462341966.04105711 Redistribute coefs (0.74681s) started
T01 << 1462341966.04405999 Redistribute coefs (0.74981s) stopped
T01 >> 1462341966.04410791 Send coefs to domains (13.43396s) started
T01 << 1462341966.09408092 Send coefs to domains (13.48393s) stopped
T01 << 1462341966.09460902 Blacs Orbital Layouts (739.28458s) stopped
T01 >> 1462341966.09466195 Calculate projections (680.12999s) started
T01 << 1462341968.57438898 Calculate projections (682.60972s) stopped
T01 << 1462341968.57447410 LCAO eigensolver (2161.81449s) stopped
T01 >> 1462341968.57523704 Density (529.68463s) started
T01 >> 1462341968.57524991 Pseudo density (437.78940s) started
T01 >> 1462341968.57565188 Calculate density matrix (393.95758s) started
T01 << 1462341970.15381408 Calculate density matrix (395.53574s) stopped
T01 >> 1462341970.15389705 Construct density (43.23503s) started
T01 << 1462341970.32628202 Construct density (43.40742s) stopped
T01 >> 1462341970.32771397 Symmetrize density (0.01083s) started
T01 << 1462341970.32774591 Symmetrize density (0.01086s) stopped
T01 << 1462341970.32818699 Pseudo density (439.54234s) stopped
T01 >> 1462341970.32823801 Atomic density matrices (60.84700s) started
T01 << 1462341970.56330800 Atomic density matrices (61.08207s) stopped
T01 >> 1462341970.56334901 Multipole moments (0.98173s) started
T01 << 1462341970.56725311 Multipole moments (0.98563s) stopped
T01 >> 1462341970.56727600 Normalize (0.26291s) started
T01 << 1462341970.56834006 Normalize (0.26398s) stopped
T01 >> 1462341970.56837511 Mix (29.78723s) started
T01 << 1462341970.69095993 Mix (29.90981s) stopped
T01 << 1462341970.69105005 Density (531.80045s) stopped
T01 >> 1462341970.69113994 Hamiltonian (6012.24697s) started
T01 >> 1462341970.69116092 vbar (3.11914s) started
T01 << 1462341970.70717192 vbar (3.13515s) stopped
T01 >> 1462341970.70725489 XC 3D grid (2604.77951s) started
T01 >> 1462341970.88320088 van der Waals (2513.11138s) started
T01 >> 1462341970.92667007 semilocal (572.78180s) started
T01 << 1462341973.16450906 semilocal (575.01964s) stopped
T01 >> 1462341973.19550109 redistribute (289.07348s) started
T01 << 1462341973.56525803 redistribute (289.44324s) stopped
T01 >> 1462341973.56532693 libvdwxc nonlocal (1632.27667s) started
T01 << 1462341980.28304100 libvdwxc nonlocal (1638.99438s) stopped
T01 >> 1462341980.28311110 redistribute (289.44328s) started
T01 << 1462341980.91931891 redistribute (290.07949s) stopped
T01 << 1462341980.92061090 van der Waals (2523.14879s) stopped
T01 << 1462341981.10275602 XC 3D grid (2615.17501s) stopped
T01 >> 1462341981.10280490 Poisson (553.68844s) started
T01 << 1462341983.46546197 Poisson (556.05110s) stopped
T01 >> 1462341983.46553206 Hartree integrate/restrict (20.53648s) started
T01 << 1462341983.48436809 Hartree integrate/restrict (20.55531s) stopped
T01 >> 1462341983.48443508 Hartree integrate/restrict (20.55536s) started
T01 << 1462341983.54717207 Hartree integrate/restrict (20.61809s) stopped
T01 >> 1462341983.56473088 Atomic (1602.85795s) started
T01 >> 1462341983.57466698 XC Correction (1599.62252s) started
T01 << 1462341989.69633389 XC Correction (1605.74418s) stopped
T01 << 1462341989.69938588 Atomic (1608.99260s) stopped
T01 >> 1462341989.69948602 Communicate (1221.56538s) started
T01 << 1462341994.40923309 Communicate (1226.27513s) stopped
T01 << 1462341994.40926194 Hamiltonian (6035.96509s) stopped
T01 >> 1462341994.40933299 LCAO eigensolver (2161.81450s) started
T01 >> 1462341994.40934706 Potential matrix (68.71825s) started
T01 << 1462341994.66627502 Potential matrix (68.97518s) stopped
T01 >> 1462341994.66634798 DistributedAtomicCorrection (359.05860s) started
T01 << 1462341995.93591309 DistributedAtomicCorrection (360.32817s) stopped
T01 >> 1462341995.93597698 Distribute overlap matrix (311.91997s) started
T01 >> 1462341995.93599892 blocked summation (295.90741s) started
T01 << 1462341997.15082407 blocked summation (297.12223s) stopped
T01 >> 1462341997.15235090 Scalapack redistribute (15.64279s) started
T01 << 1462341997.21330595 Scalapack redistribute (15.70374s) stopped
T01 << 1462341997.21338010 Distribute overlap matrix (313.19737s) stopped
T01 >> 1462341997.21402597 Blacs Orbital Layouts (739.28459s) started
T01 >> 1462341997.21546102 General diagonalize (724.66453s) started
T01 << 1462341999.92880702 General diagonalize (727.37788s) stopped
T01 >> 1462341999.92885590 Redistribute coefs (0.74985s) started
T01 << 1462341999.93243790 Redistribute coefs (0.75343s) stopped
T01 >> 1462341999.93248296 Send coefs to domains (13.48398s) started
T01 << 1462341999.98198009 Send coefs to domains (13.53347s) stopped
T01 << 1462341999.98230195 Blacs Orbital Layouts (742.05287s) stopped
T01 >> 1462341999.98235106 Calculate projections (682.60978s) started
T01 << 1462342002.46207595 Calculate projections (685.08950s) stopped
T01 << 1462342002.46215892 LCAO eigensolver (2169.86732s) stopped
T01 >> 1462342002.46289110 Density (531.80046s) started
T01 >> 1462342002.46290398 Pseudo density (439.54238s) started
T01 >> 1462342002.46330309 Calculate density matrix (395.53579s) started
T01 << 1462342004.03856111 Calculate density matrix (397.11104s) stopped
T01 >> 1462342004.03864789 Construct density (43.40746s) started
T01 << 1462342004.21098590 Construct density (43.57979s) stopped
T01 >> 1462342004.21241307 Symmetrize density (0.01087s) started
T01 << 1462342004.21244693 Symmetrize density (0.01091s) stopped
T01 << 1462342004.21290207 Pseudo density (441.29238s) stopped
T01 >> 1462342004.21292210 Atomic density matrices (61.08210s) started
T01 << 1462342004.44778299 Atomic density matrices (61.31696s) stopped
T01 >> 1462342004.44782400 Multipole moments (0.98565s) started
T01 << 1462342004.45175600 Multipole moments (0.98958s) stopped
T01 >> 1462342004.45177889 Normalize (0.26400s) started
T01 << 1462342004.45282698 Normalize (0.26505s) stopped
T01 >> 1462342004.45286298 Mix (29.90990s) started
T01 << 1462342004.57330799 Mix (30.03034s) stopped
T01 << 1462342004.57339501 Density (533.91097s) stopped
T01 >> 1462342004.57348800 Hamiltonian (6035.96510s) started
T01 >> 1462342004.57350898 vbar (3.13520s) started
T01 << 1462342004.58941698 vbar (3.15111s) stopped
T01 >> 1462342004.58949590 XC 3D grid (2615.17505s) started
T01 >> 1462342004.76742196 van der Waals (2523.14883s) started
T01 >> 1462342004.81230211 semilocal (575.01973s) started
T01 << 1462342007.04291296 semilocal (577.25034s) stopped
T01 >> 1462342007.07407808 redistribute (290.07953s) started
T01 << 1462342007.44547606 redistribute (290.45093s) stopped
T01 >> 1462342007.44554400 libvdwxc nonlocal (1638.99443s) started
T01 << 1462342014.16348791 libvdwxc nonlocal (1645.71237s) stopped
T01 >> 1462342014.16355109 redistribute (290.45097s) started
T01 << 1462342014.79783893 redistribute (291.08525s) stopped
T01 << 1462342014.79908395 van der Waals (2533.18049s) stopped
T01 << 1462342014.97812104 XC 3D grid (2625.56367s) stopped
T01 >> 1462342014.97817993 Poisson (556.05115s) started
T01 << 1462342017.33523893 Poisson (558.40821s) stopped
T01 >> 1462342017.33533692 Hartree integrate/restrict (20.61813s) started
T01 << 1462342017.35468197 Hartree integrate/restrict (20.63747s) stopped
T01 >> 1462342017.35474491 Hartree integrate/restrict (20.63752s) started
T01 << 1462342017.41689110 Hartree integrate/restrict (20.69966s) stopped
T01 >> 1462342017.43890810 Atomic (1608.99262s) started
T01 >> 1462342017.44882011 XC Correction (1605.74421s) started
T01 << 1462342023.61038804 XC Correction (1611.90578s) stopped
T01 << 1462342023.61343098 Atomic (1615.16714s) stopped
T01 >> 1462342023.61352992 Communicate (1226.27515s) started
T01 << 1462342028.19986391 Communicate (1230.86148s) stopped
T01 << 1462342028.19989395 Hamiltonian (6059.59151s) stopped
T01 >> 1462342028.19996405 LCAO eigensolver (2169.86734s) started
T01 >> 1462342028.19997692 Potential matrix (68.97522s) started
T01 << 1462342028.45530105 Potential matrix (69.23054s) stopped
T01 >> 1462342028.45537496 DistributedAtomicCorrection (360.32820s) started
T01 << 1462342029.72706890 DistributedAtomicCorrection (361.59990s) stopped
T01 >> 1462342029.72713304 Distribute overlap matrix (313.19738s) started
T01 >> 1462342029.72715497 blocked summation (297.12227s) started
T01 << 1462342030.92303205 blocked summation (298.31815s) stopped
T01 >> 1462342030.92454004 Scalapack redistribute (15.70378s) started
T01 << 1462342030.98604798 Scalapack redistribute (15.76528s) stopped
T01 << 1462342030.98612309 Distribute overlap matrix (314.45637s) stopped
T01 >> 1462342030.98677802 Blacs Orbital Layouts (742.05289s) started
T01 >> 1462342030.98813295 General diagonalize (727.37791s) started
T01 << 1462342033.68811107 General diagonalize (730.07789s) stopped
T01 >> 1462342033.68817306 Redistribute coefs (0.75346s) started
T01 << 1462342033.69183993 Redistribute coefs (0.75713s) stopped
T01 >> 1462342033.69188690 Send coefs to domains (13.53351s) started
T01 << 1462342033.74180007 Send coefs to domains (13.58343s) stopped
T01 << 1462342033.74211407 Blacs Orbital Layouts (744.80822s) stopped
T01 >> 1462342033.74216509 Calculate projections (685.08956s) started
T01 << 1462342036.22213006 Calculate projections (687.56953s) stopped
T01 << 1462342036.22221303 LCAO eigensolver (2177.88959s) stopped
T01 >> 1462342036.22295189 Density (533.91098s) started
T01 >> 1462342036.22298288 Pseudo density (441.29240s) started
T01 >> 1462342036.22338605 Calculate density matrix (397.11109s) started
T01 << 1462342037.80101800 Calculate density matrix (398.68872s) stopped
T01 >> 1462342037.80109596 Construct density (43.57983s) started
T01 << 1462342037.97300911 Construct density (43.75175s) stopped
T01 >> 1462342037.97443104 Symmetrize density (0.01092s) started
T01 << 1462342037.97446489 Symmetrize density (0.01095s) stopped
T01 << 1462342037.97491693 Pseudo density (443.04433s) stopped
T01 >> 1462342037.97493696 Atomic density matrices (61.31699s) started
T01 << 1462342038.21141505 Atomic density matrices (61.55347s) stopped
T01 >> 1462342038.21145701 Multipole moments (0.98960s) started
T01 << 1462342038.21539497 Multipole moments (0.99353s) stopped
T01 >> 1462342038.21541905 Normalize (0.26508s) started
T01 << 1462342038.21644998 Normalize (0.26611s) stopped
T01 >> 1462342038.21648502 Mix (30.03043s) started
T01 << 1462342038.33931208 Mix (30.15325s) stopped
T01 << 1462342038.33939004 Density (536.02742s) stopped
T01 >> 1462342038.33947992 Hamiltonian (6059.59152s) started
T01 >> 1462342038.33950090 vbar (3.15115s) started
T01 << 1462342038.35509396 vbar (3.16675s) stopped
T01 >> 1462342038.35518909 XC 3D grid (2625.56372s) started
T01 >> 1462342038.53094101 van der Waals (2533.18059s) started
T01 >> 1462342038.57397294 semilocal (577.25044s) started
T01 << 1462342040.80047894 semilocal (579.47694s) stopped
T01 >> 1462342040.83198690 redistribute (291.08531s) started
T01 << 1462342041.20728588 redistribute (291.46061s) stopped
T01 >> 1462342041.20735502 libvdwxc nonlocal (1645.71242s) started
T01 << 1462342047.91216397 libvdwxc nonlocal (1652.41723s) stopped
T01 >> 1462342047.91224504 redistribute (291.46065s) started
T01 << 1462342048.55522490 redistribute (292.10363s) stopped
T01 << 1462342048.55643797 van der Waals (2543.20608s) stopped
T01 << 1462342048.73834395 XC 3D grid (2635.94687s) stopped
T01 >> 1462342048.73841310 Poisson (558.40828s) started
T01 << 1462342051.10467505 Poisson (560.77455s) stopped
T01 >> 1462342051.10479689 Hartree integrate/restrict (20.69970s) started
T01 << 1462342051.12348390 Hartree integrate/restrict (20.71839s) stopped
T01 >> 1462342051.12363791 Hartree integrate/restrict (20.71849s) started
T01 << 1462342051.18553996 Hartree integrate/restrict (20.78039s) stopped
T01 >> 1462342051.20848608 Atomic (1615.16716s) started
T01 >> 1462342051.21850991 XC Correction (1611.90580s) started
T01 << 1462342057.29431391 XC Correction (1617.98161s) stopped
T01 << 1462342057.29735494 Atomic (1621.25603s) stopped
T01 >> 1462342057.29745197 Communicate (1230.86150s) started
T01 << 1462342062.01964593 Communicate (1235.58369s) stopped
T01 << 1462342062.01967812 Hamiltonian (6083.27172s) stopped
T01 >> 1462342062.01975012 LCAO eigensolver (2177.88960s) started
T01 >> 1462342062.01976299 Potential matrix (69.23058s) started
T01 << 1462342062.27807808 Potential matrix (69.48890s) stopped
T01 >> 1462342062.27815199 DistributedAtomicCorrection (361.59994s) started
T01 << 1462342063.55775189 DistributedAtomicCorrection (362.87954s) stopped
T01 >> 1462342063.55781507 Distribute overlap matrix (314.45639s) started
T01 >> 1462342063.55783796 blocked summation (298.31819s) started
T01 << 1462342064.75106812 blocked summation (299.51142s) stopped
T01 >> 1462342064.75339103 Scalapack redistribute (15.76532s) started
T01 << 1462342064.80991507 Scalapack redistribute (15.82185s) stopped
T01 << 1462342064.80998898 Distribute overlap matrix (315.70856s) stopped
T01 >> 1462342064.81064200 Blacs Orbital Layouts (744.80824s) started
T01 >> 1462342064.81208110 General diagonalize (730.07793s) started
T01 << 1462342067.52860689 General diagonalize (732.79446s) stopped
T01 >> 1462342067.52867389 Redistribute coefs (0.75717s) started
T01 << 1462342067.53157806 Redistribute coefs (0.76007s) stopped
T01 >> 1462342067.53162503 Send coefs to domains (13.58347s) started
T01 << 1462342067.58202696 Send coefs to domains (13.63387s) stopped
T01 << 1462342067.58241296 Blacs Orbital Layouts (747.58001s) stopped
T01 >> 1462342067.58246493 Calculate projections (687.56958s) started
T01 << 1462342070.06223798 Calculate projections (690.04936s) stopped
T01 << 1462342070.06268406 LCAO eigensolver (2185.93253s) stopped
T01 >> 1462342070.06342006 Density (536.02744s) started
T01 >> 1462342070.06343198 Pseudo density (443.04434s) started
T01 >> 1462342070.06383395 Calculate density matrix (398.68876s) started
T01 << 1462342071.64032412 Calculate density matrix (400.26525s) stopped
T01 >> 1462342071.64040589 Construct density (43.75179s) started
T01 << 1462342071.81280589 Construct density (43.92419s) stopped
T01 >> 1462342071.81422305 Symmetrize density (0.01096s) started
T01 << 1462342071.81425691 Symmetrize density (0.01100s) stopped
T01 << 1462342071.81470990 Pseudo density (444.79562s) stopped
T01 >> 1462342071.81472898 Atomic density matrices (61.55350s) started
T01 << 1462342072.05021405 Atomic density matrices (61.78898s) stopped
T01 >> 1462342072.05025506 Multipole moments (0.99355s) started
T01 << 1462342072.05423498 Multipole moments (0.99753s) stopped
T01 >> 1462342072.05425692 Normalize (0.26614s) started
T01 << 1462342072.05528092 Normalize (0.26716s) stopped
T01 >> 1462342072.05531693 Mix (30.15333s) started
T01 << 1462342072.17697096 Mix (30.27498s) stopped
T01 << 1462342072.17705393 Density (538.14107s) stopped
T01 >> 1462342072.17714691 Hamiltonian (6083.27173s) started
T01 >> 1462342072.17716694 vbar (3.16680s) started
T01 << 1462342072.19336295 vbar (3.18300s) stopped
T01 >> 1462342072.19342494 XC 3D grid (2635.94693s) started
T01 >> 1462342072.36604595 van der Waals (2543.20613s) started
T01 >> 1462342072.40993500 semilocal (579.47705s) started
T01 << 1462342074.65077806 semilocal (581.71789s) stopped
T01 >> 1462342074.68156004 redistribute (292.10367s) started
T01 << 1462342075.04879689 redistribute (292.47091s) stopped
T01 >> 1462342075.04886603 libvdwxc nonlocal (1652.41728s) started
T01 << 1462342081.76273608 libvdwxc nonlocal (1659.13115s) stopped
T01 >> 1462342081.76280904 redistribute (292.47095s) started
T01 << 1462342082.41274095 redistribute (293.12088s) stopped
T01 << 1462342082.41405702 van der Waals (2553.25414s) stopped
T01 << 1462342082.58498502 XC 3D grid (2646.33849s) stopped
T01 >> 1462342082.58503509 Poisson (560.77464s) started
T01 << 1462342084.36513710 Poisson (562.55474s) stopped
T01 >> 1462342084.36522508 Hartree integrate/restrict (20.78044s) started
T01 << 1462342084.38421297 Hartree integrate/restrict (20.79943s) stopped
T01 >> 1462342084.38428712 Hartree integrate/restrict (20.79948s) started
T01 << 1462342084.45295191 Hartree integrate/restrict (20.86815s) stopped
T01 >> 1462342084.46880007 Atomic (1621.25605s) started
T01 >> 1462342084.47874403 XC Correction (1617.98163s) started
T01 << 1462342090.54371810 XC Correction (1624.04660s) stopped
T01 << 1462342090.54674006 Atomic (1627.33399s) stopped
T01 >> 1462342090.54684091 Communicate (1235.58372s) started
T01 << 1462342095.33020806 Communicate (1240.36708s) stopped
T01 << 1462342095.33023691 Hamiltonian (6106.42482s) stopped
T01 >> 1462342095.33030891 LCAO eigensolver (2185.93255s) started
T01 >> 1462342095.33032203 Potential matrix (69.48894s) started
T01 << 1462342095.58879805 Potential matrix (69.74741s) stopped
T01 >> 1462342095.58887100 DistributedAtomicCorrection (362.87957s) started
T01 << 1462342096.87770891 DistributedAtomicCorrection (364.16841s) stopped
T01 >> 1462342096.87777305 Distribute overlap matrix (315.70857s) started
T01 >> 1462342096.87779498 blocked summation (299.51146s) started
T01 << 1462342097.96919608 blocked summation (300.60286s) stopped
T01 >> 1462342097.97098899 Scalapack redistribute (15.82188s) started
T01 << 1462342098.03064990 Scalapack redistribute (15.88154s) stopped
T01 << 1462342098.03072906 Distribute overlap matrix (316.86153s) stopped
T01 >> 1462342098.03139091 Blacs Orbital Layouts (747.58003s) started
T01 >> 1462342098.03355289 General diagonalize (732.79450s) started
T01 << 1462342100.72613096 General diagonalize (735.48708s) stopped
T01 >> 1462342100.72619295 Redistribute coefs (0.76011s) started
T01 << 1462342100.72942090 Redistribute coefs (0.76334s) stopped
T01 >> 1462342100.72946692 Send coefs to domains (13.63392s) started
T01 << 1462342100.77914190 Send coefs to domains (13.68359s) stopped
T01 << 1462342100.77963209 Blacs Orbital Layouts (750.32827s) stopped
T01 >> 1462342100.77968502 Calculate projections (690.04942s) started
T01 << 1462342103.25950193 Calculate projections (692.52923s) stopped
T01 << 1462342103.25978398 LCAO eigensolver (2193.86203s) stopped
T01 >> 1462342103.26051307 Density (538.14109s) started
T01 >> 1462342103.26052499 Pseudo density (444.79564s) started
T01 >> 1462342103.26093102 Calculate density matrix (400.26529s) started
T01 << 1462342104.83850288 Calculate density matrix (401.84286s) stopped
T01 >> 1462342104.83859301 Construct density (43.92423s) started
T01 << 1462342105.01087809 Construct density (44.09651s) stopped
T01 >> 1462342105.01319408 Symmetrize density (0.01101s) started
T01 << 1462342105.01322794 Symmetrize density (0.01104s) stopped
T01 << 1462342105.01367807 Pseudo density (446.54879s) stopped
T01 >> 1462342105.01369810 Atomic density matrices (61.78901s) started
T01 << 1462342105.24738908 Atomic density matrices (62.02270s) stopped
T01 >> 1462342105.24742889 Multipole moments (0.99754s) started
T01 << 1462342105.25141001 Multipole moments (1.00153s) stopped
T01 >> 1462342105.25143194 Normalize (0.26719s) started
T01 << 1462342105.25246811 Normalize (0.26822s) stopped
T01 >> 1462342105.25250411 Mix (30.27506s) started
T01 << 1462342105.37431598 Mix (30.39687s) stopped
T01 << 1462342105.37439489 Density (540.25497s) stopped
T01 >> 1462342105.37448311 Hamiltonian (6106.42484s) started
T01 >> 1462342105.37450194 vbar (3.18303s) started
T01 << 1462342105.39054894 vbar (3.19908s) stopped
T01 >> 1462342105.39065194 XC 3D grid (2646.33853s) started
T01 >> 1462342105.56667900 van der Waals (2553.25418s) started
T01 >> 1462342105.61162305 semilocal (581.71797s) started
T01 << 1462342107.84933805 semilocal (583.95568s) stopped
T01 >> 1462342107.88023591 redistribute (293.12095s) started
T01 << 1462342108.25013089 redistribute (293.49085s) stopped
T01 >> 1462342108.25020099 libvdwxc nonlocal (1659.13120s) started
T01 << 1462342114.95867991 libvdwxc nonlocal (1665.83968s) stopped
T01 >> 1462342114.95874500 redistribute (293.49089s) started
T01 << 1462342115.60342097 redistribute (294.13556s) stopped
T01 << 1462342115.60452509 van der Waals (2563.29203s) stopped
T01 << 1462342115.78632998 XC 3D grid (2656.73420s) stopped
T01 >> 1462342115.78637600 Poisson (562.55481s) started
T01 << 1462342117.57275200 Poisson (564.34119s) stopped
T01 >> 1462342117.57282400 Hartree integrate/restrict (20.86818s) started
T01 << 1462342117.59173393 Hartree integrate/restrict (20.88709s) stopped
T01 >> 1462342117.59180498 Hartree integrate/restrict (20.88713s) started
T01 << 1462342117.65431905 Hartree integrate/restrict (20.94965s) stopped
T01 >> 1462342117.67640495 Atomic (1627.33400s) started
T01 >> 1462342117.68635297 XC Correction (1624.04663s) started
T01 << 1462342123.76864505 XC Correction (1630.12892s) stopped
T01 << 1462342123.77167511 Atomic (1633.42927s) stopped
T01 >> 1462342123.77177310 Communicate (1240.36710s) started
T01 << 1462342128.65640593 Communicate (1245.25173s) stopped
T01 << 1462342128.65643406 Hamiltonian (6129.70679s) stopped
T01 >> 1462342128.65650511 LCAO eigensolver (2193.86205s) started
T01 >> 1462342128.65651798 Potential matrix (69.74745s) started
T01 << 1462342128.91190410 Potential matrix (70.00284s) stopped
T01 >> 1462342128.91197896 DistributedAtomicCorrection (364.16845s) started
T01 << 1462342130.19759893 DistributedAtomicCorrection (365.45407s) stopped
T01 >> 1462342130.19766593 Distribute overlap matrix (316.86154s) started
T01 >> 1462342130.19768906 blocked summation (300.60290s) started
T01 << 1462342131.36725402 blocked summation (301.77247s) stopped
T01 >> 1462342131.36898899 Scalapack redistribute (15.88158s) started
T01 << 1462342131.42821097 Scalapack redistribute (15.94080s) stopped
T01 << 1462342131.42828608 Distribute overlap matrix (318.09216s) stopped
T01 >> 1462342131.42894006 Blacs Orbital Layouts (750.32829s) started
T01 >> 1462342131.43028998 General diagonalize (735.48711s) started
T01 << 1462342134.11850405 General diagonalize (738.17533s) stopped
T01 >> 1462342134.11856604 Redistribute coefs (0.76337s) started
T01 << 1462342134.12236404 Redistribute coefs (0.76717s) stopped
T01 >> 1462342134.12241006 Send coefs to domains (13.68363s) started
T01 << 1462342134.17272210 Send coefs to domains (13.73395s) stopped
T01 << 1462342134.17303491 Blacs Orbital Layouts (753.07239s) stopped
T01 >> 1462342134.17308807 Calculate projections (692.52929s) started
T01 << 1462342136.65302110 Calculate projections (695.00922s) stopped
T01 << 1462342136.65330100 LCAO eigensolver (2201.85884s) stopped
T01 >> 1462342136.65402293 Density (540.25499s) started
T01 >> 1462342136.65403605 Pseudo density (446.54880s) started
T01 >> 1462342136.65443492 Calculate density matrix (401.84291s) started
T01 << 1462342138.24067211 Calculate density matrix (403.42914s) stopped
T01 >> 1462342138.24075294 Construct density (44.09655s) started
T01 << 1462342138.41267109 Construct density (44.26847s) stopped
T01 >> 1462342138.41408396 Symmetrize density (0.01105s) started
T01 << 1462342138.41411591 Symmetrize density (0.01109s) stopped
T01 << 1462342138.41456103 Pseudo density (448.30933s) stopped
T01 >> 1462342138.41458106 Atomic density matrices (62.02273s) started
T01 << 1462342138.65008807 Atomic density matrices (62.25823s) stopped
T01 >> 1462342138.65012908 Multipole moments (1.00154s) started
T01 << 1462342138.65413594 Multipole moments (1.00555s) stopped
T01 >> 1462342138.65416002 Normalize (0.26825s) started
T01 << 1462342138.65519190 Normalize (0.26928s) stopped
T01 >> 1462342138.65522790 Mix (30.39695s) started
T01 << 1462342138.77725911 Mix (30.51898s) stopped
T01 << 1462342138.77731299 Density (542.37828s) stopped
T01 >> 1462342138.77739906 Hamiltonian (6129.70680s) started
T01 >> 1462342138.77741790 vbar (3.19914s) started
T01 << 1462342138.79330397 vbar (3.21502s) stopped
T01 >> 1462342138.79339409 XC 3D grid (2656.73424s) started
T01 >> 1462342138.96313691 van der Waals (2563.29207s) started
T01 >> 1462342139.00707197 semilocal (583.95577s) started
T01 << 1462342141.23406005 semilocal (586.18276s) stopped
T01 >> 1462342141.26773691 redistribute (294.13561s) started
T01 << 1462342141.65771508 redistribute (294.52559s) stopped
T01 >> 1462342141.65778303 libvdwxc nonlocal (1665.83972s) started
T01 << 1462342148.35437608 libvdwxc nonlocal (1672.53631s) stopped
T01 >> 1462342148.35444498 redistribute (294.52562s) started
T01 << 1462342148.99493003 redistribute (295.16611s) stopped
T01 << 1462342148.99623990 van der Waals (2573.32518s) stopped
T01 << 1462342149.17801189 XC 3D grid (2667.11886s) stopped
T01 >> 1462342149.17808104 Poisson (564.34124s) started
T01 << 1462342150.95706105 Poisson (566.12022s) stopped
T01 >> 1462342150.95720196 Hartree integrate/restrict (20.94968s) started
T01 << 1462342150.97608209 Hartree integrate/restrict (20.96856s) stopped
T01 >> 1462342150.97622204 Hartree integrate/restrict (20.96866s) started
T01 << 1462342151.03773689 Hartree integrate/restrict (21.03017s) stopped
T01 >> 1462342151.06067991 Atomic (1633.42929s) started
T01 >> 1462342151.07068396 XC Correction (1630.12895s) started
T01 << 1462342157.15259600 XC Correction (1636.21086s) stopped
T01 << 1462342157.15566206 Atomic (1639.52427s) stopped
T01 >> 1462342157.15576792 Communicate (1245.25175s) started
T01 << 1462342161.84063792 Communicate (1249.93662s) stopped
T01 << 1462342161.84066892 Hamiltonian (6152.77007s) stopped
T01 >> 1462342161.84073997 LCAO eigensolver (2201.85886s) started
T01 >> 1462342161.84075403 Potential matrix (70.00288s) started
T01 << 1462342162.10091710 Potential matrix (70.26304s) stopped
T01 >> 1462342162.10098910 DistributedAtomicCorrection (365.45411s) started
T01 << 1462342163.38089108 DistributedAtomicCorrection (366.73401s) stopped
T01 >> 1462342163.38095498 Distribute overlap matrix (318.09217s) started
T01 >> 1462342163.38101292 blocked summation (301.77251s) started
T01 << 1462342164.56709909 blocked summation (302.95859s) stopped
T01 >> 1462342164.56941605 Scalapack redistribute (15.94084s) started
T01 << 1462342164.62821507 Scalapack redistribute (15.99964s) stopped
T01 << 1462342164.62828898 Distribute overlap matrix (319.33951s) stopped
T01 >> 1462342164.62895203 Blacs Orbital Layouts (753.07240s) started
T01 >> 1462342164.63030505 General diagonalize (738.17537s) started
T01 << 1462342167.33965707 General diagonalize (740.88472s) stopped
T01 >> 1462342167.33972192 Redistribute coefs (0.76721s) started
T01 << 1462342167.34304810 Redistribute coefs (0.77053s) stopped
T01 >> 1462342167.34309411 Send coefs to domains (13.73399s) started
T01 << 1462342167.39349103 Send coefs to domains (13.78438s) stopped
T01 << 1462342167.39384389 Blacs Orbital Layouts (755.83729s) stopped
T01 >> 1462342167.39389491 Calculate projections (695.00928s) started
T01 << 1462342169.87369490 Calculate projections (697.48908s) stopped
T01 << 1462342169.87414503 LCAO eigensolver (2209.89227s) stopped
T01 >> 1462342169.87486911 Density (542.37829s) started
T01 >> 1462342169.87488198 Pseudo density (448.30934s) started
T01 >> 1462342169.87528110 Calculate density matrix (403.42918s) started
T01 << 1462342171.45753193 Calculate density matrix (405.01144s) stopped
T01 >> 1462342171.45761609 Construct density (44.26851s) started
T01 << 1462342171.62995291 Construct density (44.44085s) stopped
T01 >> 1462342171.63138795 Symmetrize density (0.01110s) started
T01 << 1462342171.63142204 Symmetrize density (0.01113s) stopped
T01 << 1462342171.63187599 Pseudo density (450.06634s) stopped
T01 >> 1462342171.63189602 Atomic density matrices (62.25826s) started
T01 << 1462342171.86559010 Atomic density matrices (62.49196s) stopped
T01 >> 1462342171.86563110 Multipole moments (1.00556s) started
T01 << 1462342171.86961389 Multipole moments (1.00955s) stopped
T01 >> 1462342171.86963797 Normalize (0.26930s) started
T01 << 1462342171.87069607 Normalize (0.27036s) stopped
T01 >> 1462342171.87073207 Mix (30.51903s) started
T01 << 1462342171.99293399 Mix (30.64123s) stopped
T01 << 1462342171.99304700 Density (544.49647s) stopped
T01 >> 1462342171.99313807 Hamiltonian (6152.77008s) started
T01 >> 1462342171.99316001 vbar (3.21508s) started
T01 << 1462342172.00896597 vbar (3.23088s) stopped
T01 >> 1462342172.00902605 XC 3D grid (2667.11891s) started
T01 >> 1462342172.18536401 van der Waals (2573.32525s) started
T01 >> 1462342172.22888899 semilocal (586.18285s) started
T01 << 1462342174.46681094 semilocal (588.42078s) stopped
T01 >> 1462342174.49684596 redistribute (295.16617s) started
T01 << 1462342174.86479497 redistribute (295.53412s) stopped
T01 >> 1462342174.86486602 libvdwxc nonlocal (1672.53636s) started
T01 << 1462342181.56654692 libvdwxc nonlocal (1679.23804s) stopped
T01 >> 1462342181.56662202 redistribute (295.53416s) started
T01 << 1462342182.20416903 redistribute (296.17170s) stopped
T01 << 1462342182.20536494 van der Waals (2583.34525s) stopped
T01 << 1462342182.38733196 XC 3D grid (2677.49722s) stopped
T01 >> 1462342182.38738298 Poisson (566.12033s) started
T01 << 1462342184.17898107 Poisson (567.91193s) stopped
T01 >> 1462342184.17905307 Hartree integrate/restrict (21.03022s) started
T01 << 1462342184.19763589 Hartree integrate/restrict (21.04880s) stopped
T01 >> 1462342184.19770002 Hartree integrate/restrict (21.04884s) started
T01 << 1462342184.26022291 Hartree integrate/restrict (21.11137s) stopped
T01 >> 1462342184.27778292 Atomic (1639.52429s) started
T01 >> 1462342184.28784704 XC Correction (1636.21088s) started
T01 << 1462342190.37726593 XC Correction (1642.30030s) stopped
T01 << 1462342190.38033199 Atomic (1645.62684s) stopped
T01 >> 1462342190.38042903 Communicate (1249.93664s) started
T01 << 1462342195.06899810 Communicate (1254.62521s) stopped
T01 << 1462342195.06902599 Hamiltonian (6175.84597s) stopped
T01 >> 1462342195.06909704 LCAO eigensolver (2209.89229s) started
T01 >> 1462342195.06910992 Potential matrix (70.26308s) started
T01 << 1462342195.32724190 Potential matrix (70.52121s) stopped
T01 >> 1462342195.32731605 DistributedAtomicCorrection (366.73405s) started
T01 << 1462342196.60850406 DistributedAtomicCorrection (368.01523s) stopped
T01 >> 1462342196.60856795 Distribute overlap matrix (319.33952s) started
T01 >> 1462342196.60858989 blocked summation (302.95864s) started
T01 << 1462342197.77833295 blocked summation (304.12838s) stopped
T01 >> 1462342197.78016496 Scalapack redistribute (15.99968s) started
T01 << 1462342197.84092903 Scalapack redistribute (16.06044s) stopped
T01 << 1462342197.84100604 Distribute overlap matrix (320.57196s) stopped
T01 >> 1462342197.84165406 Blacs Orbital Layouts (755.83731s) started
T01 >> 1462342197.84382892 General diagonalize (740.88476s) started
T01 << 1462342200.53878689 General diagonalize (743.57972s) stopped
T01 >> 1462342200.53884792 Redistribute coefs (0.77057s) started
T01 << 1462342200.54159808 Redistribute coefs (0.77332s) stopped
T01 >> 1462342200.54168010 Send coefs to domains (13.78442s) started
T01 << 1462342200.59203005 Send coefs to domains (13.83477s) stopped
T01 << 1462342200.59255505 Blacs Orbital Layouts (758.58821s) stopped
T01 >> 1462342200.59260392 Calculate projections (697.48914s) started
T01 << 1462342203.07240605 Calculate projections (699.96894s) stopped
T01 << 1462342203.07268810 LCAO eigensolver (2217.89588s) stopped
T01 >> 1462342203.07340097 Density (544.49649s) started
T01 >> 1462342203.07341409 Pseudo density (450.06635s) started
T01 >> 1462342203.07382011 Calculate density matrix (405.01148s) started
T01 << 1462342204.66207409 Calculate density matrix (406.59973s) stopped
T01 >> 1462342204.66215491 Construct density (44.44088s) started
T01 << 1462342204.83447909 Construct density (44.61321s) stopped
T01 >> 1462342204.83590603 Symmetrize density (0.01114s) started
T01 << 1462342204.83593988 Symmetrize density (0.01118s) stopped
T01 << 1462342204.83638191 Pseudo density (451.82932s) stopped
T01 >> 1462342204.83640099 Atomic density matrices (62.49198s) started
T01 << 1462342205.07078910 Atomic density matrices (62.72637s) stopped
T01 >> 1462342205.07083106 Multipole moments (1.00956s) started
T01 << 1462342205.07486510 Multipole moments (1.01360s) stopped
T01 >> 1462342205.07488799 Normalize (0.27039s) started
T01 << 1462342205.07591796 Normalize (0.27142s) stopped
T01 >> 1462342205.07595396 Mix (30.64134s) started
T01 << 1462342205.19762206 Mix (30.76301s) stopped
T01 << 1462342205.19771099 Density (546.62080s) stopped
T01 >> 1462342205.19780302 Hamiltonian (6175.84598s) started
T01 >> 1462342205.19782495 vbar (3.23091s) started
T01 << 1462342205.21348095 vbar (3.24657s) stopped
T01 >> 1462342205.21356606 XC 3D grid (2677.49726s) started
T01 >> 1462342205.38975692 van der Waals (2583.34532s) started
T01 >> 1462342205.43429089 semilocal (588.42084s) started
T01 << 1462342207.66236806 semilocal (590.64892s) stopped
T01 >> 1462342207.69440198 redistribute (296.17175s) started
T01 << 1462342208.06729388 redistribute (296.54464s) stopped
T01 >> 1462342208.06736302 libvdwxc nonlocal (1679.23809s) started
T01 << 1462342214.79286504 libvdwxc nonlocal (1685.96359s) stopped
T01 >> 1462342214.79292607 redistribute (296.54468s) started
T01 << 1462342215.42951107 redistribute (297.18127s) stopped
T01 << 1462342215.43065095 van der Waals (2593.38621s) stopped
T01 << 1462342215.61110091 XC 3D grid (2687.89479s) stopped
T01 >> 1462342215.61115599 Poisson (567.91198s) started
T01 << 1462342217.39956498 Poisson (569.70039s) stopped
T01 >> 1462342217.39965391 Hartree integrate/restrict (21.11141s) started
T01 << 1462342217.41911292 Hartree integrate/restrict (21.13087s) stopped
T01 >> 1462342217.41917610 Hartree integrate/restrict (21.13091s) started
T01 << 1462342217.48166895 Hartree integrate/restrict (21.19341s) stopped
T01 >> 1462342217.50404000 Atomic (1645.62686s) started
T01 >> 1462342217.51409006 XC Correction (1642.30033s) started
T01 << 1462342223.59338403 XC Correction (1648.37962s) stopped
T01 << 1462342223.59642005 Atomic (1651.71924s) stopped
T01 >> 1462342223.59652305 Communicate (1254.62523s) started
T01 << 1462342228.35274696 Communicate (1259.38146s) stopped
T01 << 1462342228.35277700 Hamiltonian (6199.00096s) stopped
T01 >> 1462342228.35284901 LCAO eigensolver (2217.89590s) started
T01 >> 1462342228.35286188 Potential matrix (70.52125s) started
T01 << 1462342228.60991597 Potential matrix (70.77831s) stopped
T01 >> 1462342228.60998988 DistributedAtomicCorrection (368.01527s) started
T01 << 1462342229.90033388 DistributedAtomicCorrection (369.30561s) stopped
T01 >> 1462342229.90039611 Distribute overlap matrix (320.57197s) started
T01 >> 1462342229.90041900 blocked summation (304.12842s) started
T01 << 1462342231.04232311 blocked summation (305.27033s) stopped
T01 >> 1462342231.04401398 Scalapack redistribute (16.06048s) started
T01 << 1462342231.10748005 Scalapack redistribute (16.12394s) stopped
T01 << 1462342231.10755396 Distribute overlap matrix (321.77913s) stopped
T01 >> 1462342231.10819888 Blacs Orbital Layouts (758.58823s) started
T01 >> 1462342231.10954809 General diagonalize (743.57976s) started
T01 << 1462342233.81711411 General diagonalize (746.28732s) stopped
T01 >> 1462342233.81717491 Redistribute coefs (0.77335s) started
T01 << 1462342233.82095289 Redistribute coefs (0.77713s) stopped
T01 >> 1462342233.82100105 Send coefs to domains (13.83482s) started
T01 << 1462342233.87087798 Send coefs to domains (13.88470s) stopped
T01 << 1462342233.87120008 Blacs Orbital Layouts (761.35123s) stopped
T01 >> 1462342233.87125301 Calculate projections (699.96900s) started
T01 << 1462342236.35115099 Calculate projections (702.44890s) stopped
T01 << 1462342236.35123396 LCAO eigensolver (2225.89428s) stopped
T01 >> 1462342236.35196590 Density (546.62081s) started
T01 >> 1462342236.35197902 Pseudo density (451.82933s) started
T01 >> 1462342236.35237908 Calculate density matrix (406.59978s) started
T01 << 1462342237.93823409 Calculate density matrix (408.18563s) stopped
T01 >> 1462342237.93832111 Construct density (44.61325s) started
T01 << 1462342238.11017895 Construct density (44.78510s) stopped
T01 >> 1462342238.11159611 Symmetrize density (0.01119s) started
T01 << 1462342238.11162901 Symmetrize density (0.01122s) stopped
T01 << 1462342238.11207604 Pseudo density (453.58943s) stopped
T01 >> 1462342238.11209607 Atomic density matrices (62.72640s) started
T01 << 1462342238.34731007 Atomic density matrices (62.96162s) stopped
T01 >> 1462342238.34735107 Multipole moments (1.01361s) started
T01 << 1462342238.35138106 Multipole moments (1.01764s) stopped
T01 >> 1462342238.35140395 Normalize (0.27144s) started
T01 << 1462342238.35244012 Normalize (0.27248s) stopped
T01 >> 1462342238.35247493 Mix (30.76309s) started
T01 << 1462342238.47490692 Mix (30.88553s) stopped
T01 << 1462342238.47496009 Density (548.74381s) stopped
T01 >> 1462342238.47503304 Hamiltonian (6199.00097s) started
T01 >> 1462342238.47504997 vbar (3.24662s) started
T01 << 1462342238.49104595 vbar (3.26262s) stopped
T01 >> 1462342238.49113894 XC 3D grid (2687.89483s) started
T01 >> 1462342238.66100311 van der Waals (2593.38627s) started
T01 >> 1462342238.70458198 semilocal (590.64899s) started
T01 << 1462342240.93181705 semilocal (592.87622s) stopped
T01 >> 1462342240.96614695 redistribute (297.18132s) started
T01 << 1462342241.35903907 redistribute (297.57421s) stopped
T01 >> 1462342241.35910511 libvdwxc nonlocal (1685.96363s) started
T01 << 1462342248.04212403 libvdwxc nonlocal (1692.64665s) stopped
T01 >> 1462342248.04219198 redistribute (297.57425s) started
T01 << 1462342248.68538690 redistribute (298.21744s) stopped
T01 << 1462342248.68670011 van der Waals (2603.41196s) stopped
T01 << 1462342248.86992407 XC 3D grid (2698.27362s) stopped
T01 >> 1462342248.86998606 Poisson (569.70046s) started
T01 << 1462342250.07032895 Poisson (570.90080s) stopped
T01 >> 1462342250.07044911 Hartree integrate/restrict (21.19344s) started
T01 << 1462342250.08930707 Hartree integrate/restrict (21.21230s) stopped
T01 >> 1462342250.08944106 Hartree integrate/restrict (21.21239s) started
T01 << 1462342250.15148902 Hartree integrate/restrict (21.27444s) stopped
T01 >> 1462342250.17483997 Atomic (1651.71925s) started
T01 >> 1462342250.18488598 XC Correction (1648.37964s) started
T01 << 1462342256.29296994 XC Correction (1654.48773s) stopped
T01 << 1462342256.29603696 Atomic (1657.84045s) stopped
T01 >> 1462342256.29613590 Communicate (1259.38148s) started
T01 << 1462342260.99865699 Communicate (1264.08400s) stopped
T01 << 1462342260.99868989 Hamiltonian (6221.52463s) stopped
T01 >> 1462342260.99875903 LCAO eigensolver (2225.89430s) started
T01 >> 1462342260.99877310 Potential matrix (70.77835s) started
T01 << 1462342261.25711298 Potential matrix (71.03669s) stopped
T01 >> 1462342261.25718689 DistributedAtomicCorrection (369.30565s) started
T01 << 1462342262.54667401 DistributedAtomicCorrection (370.59514s) stopped
T01 >> 1462342262.54673791 Distribute overlap matrix (321.77914s) started
T01 >> 1462342262.54676104 blocked summation (305.27037s) started
T01 << 1462342263.73237300 blocked summation (306.45599s) stopped
T01 >> 1462342263.73467588 Scalapack redistribute (16.12398s) started
T01 << 1462342263.79496288 Scalapack redistribute (16.18427s) stopped
T01 << 1462342263.79503894 Distribute overlap matrix (323.02744s) stopped
T01 >> 1462342263.79569602 Blacs Orbital Layouts (761.35125s) started
T01 >> 1462342263.79706097 General diagonalize (746.28736s) started
T01 << 1462342266.50377202 General diagonalize (748.99407s) stopped
T01 >> 1462342266.50383306 Redistribute coefs (0.77717s) started
T01 << 1462342266.50670409 Redistribute coefs (0.78004s) stopped
T01 >> 1462342266.50675297 Send coefs to domains (13.88474s) started
T01 << 1462342266.55656290 Send coefs to domains (13.93455s) stopped
T01 << 1462342266.55688095 Blacs Orbital Layouts (764.11244s) stopped
T01 >> 1462342266.55693197 Calculate projections (702.44896s) started
T01 << 1462342269.03684998 Calculate projections (704.92888s) stopped
T01 << 1462342269.03729105 LCAO eigensolver (2233.93283s) stopped
T01 >> 1462342269.03805590 Density (548.74382s) started
T01 >> 1462342269.03806901 Pseudo density (453.58945s) started
T01 >> 1462342269.03846598 Calculate density matrix (408.18568s) started
T01 << 1462342270.61950207 Calculate density matrix (409.76671s) stopped
T01 >> 1462342270.61958408 Construct density (44.78514s) started
T01 << 1462342270.79194307 Construct density (44.95750s) stopped
T01 >> 1462342270.79337001 Symmetrize density (0.01123s) started
T01 << 1462342270.79340410 Symmetrize density (0.01127s) stopped
T01 << 1462342270.79386091 Pseudo density (455.34524s) stopped
T01 >> 1462342270.79387999 Atomic density matrices (62.96164s) started
T01 << 1462342271.02997088 Atomic density matrices (63.19773s) stopped
T01 >> 1462342271.03001189 Multipole moments (1.01766s) started
T01 << 1462342271.03404999 Multipole moments (1.02169s) stopped
T01 >> 1462342271.03407311 Normalize (0.27251s) started
T01 << 1462342271.03511310 Normalize (0.27355s) stopped
T01 >> 1462342271.03514695 Mix (30.88558s) started
T01 << 1462342271.15650201 Mix (31.00693s) stopped
T01 << 1462342271.15659595 Density (550.86236s) stopped
T01 >> 1462342271.15668011 Hamiltonian (6221.52464s) started
T01 >> 1462342271.15670300 vbar (3.26267s) started
T01 << 1462342271.17277503 vbar (3.27874s) stopped
T01 >> 1462342271.17283511 XC 3D grid (2698.27367s) started
T01 >> 1462342271.34901190 van der Waals (2603.41203s) started
T01 >> 1462342271.39304590 semilocal (592.87631s) started
T01 << 1462342273.62977910 semilocal (595.11304s) stopped
T01 >> 1462342273.66055989 redistribute (298.21750s) started
T01 << 1462342274.03115392 redistribute (298.58809s) stopped
T01 >> 1462342274.03122306 libvdwxc nonlocal (1692.64669s) started
T01 << 1462342280.75146008 libvdwxc nonlocal (1699.36693s) stopped
T01 >> 1462342280.75152707 redistribute (298.58813s) started
T01 << 1462342281.39349008 redistribute (299.23009s) stopped
T01 << 1462342281.39467502 van der Waals (2613.45769s) stopped
T01 << 1462342281.57472610 XC 3D grid (2708.67556s) stopped
T01 >> 1462342281.57477689 Poisson (570.90089s) started
T01 << 1462342282.77420712 Poisson (572.10033s) stopped
T01 >> 1462342282.77429605 Hartree integrate/restrict (21.27448s) started
T01 << 1462342282.79324198 Hartree integrate/restrict (21.29343s) stopped
T01 >> 1462342282.79332709 Hartree integrate/restrict (21.29349s) started
T01 << 1462342282.85609293 Hartree integrate/restrict (21.35626s) stopped
T01 >> 1462342282.87810898 Atomic (1657.84047s) started
T01 >> 1462342282.88827491 XC Correction (1654.48775s) started
T01 << 1462342288.98781705 XC Correction (1660.58729s) stopped
T01 << 1462342288.99089408 Atomic (1663.95325s) stopped
T01 >> 1462342288.99099207 Communicate (1264.08402s) started
T01 << 1462342293.69612694 Communicate (1268.78915s) stopped
T01 << 1462342293.69615507 Hamiltonian (6244.06412s) stopped
T01 >> 1462342293.69622397 LCAO eigensolver (2233.93285s) started
T01 >> 1462342293.69623709 Potential matrix (71.03672s) started
T01 << 1462342293.95420694 Potential matrix (71.29469s) stopped
T01 >> 1462342293.95427990 DistributedAtomicCorrection (370.59518s) started
T01 << 1462342295.24998212 DistributedAtomicCorrection (371.89088s) stopped
T01 >> 1462342295.25004506 Distribute overlap matrix (323.02745s) started
T01 >> 1462342295.25006604 blocked summation (306.45603s) started
T01 << 1462342296.41566706 blocked summation (307.62163s) stopped
T01 >> 1462342296.41745710 Scalapack redistribute (16.18430s) started
T01 << 1462342296.47663212 Scalapack redistribute (16.24348s) stopped
T01 << 1462342296.47671199 Distribute overlap matrix (324.25412s) stopped
T01 >> 1462342296.47737098 Blacs Orbital Layouts (764.11245s) started
T01 >> 1462342296.47951794 General diagonalize (748.99411s) started
T01 << 1462342299.16653705 General diagonalize (751.68113s) stopped
T01 >> 1462342299.16659808 Redistribute coefs (0.78008s) started
T01 << 1462342299.16929293 Redistribute coefs (0.78277s) stopped
T01 >> 1462342299.16937494 Send coefs to domains (13.93459s) started
T01 << 1462342299.22026992 Send coefs to domains (13.98548s) stopped
T01 << 1462342299.22083592 Blacs Orbital Layouts (766.85592s) stopped
T01 >> 1462342299.22088695 Calculate projections (704.92893s) started
T01 << 1462342301.70074797 Calculate projections (707.40879s) stopped
T01 << 1462342301.70102406 LCAO eigensolver (2241.93765s) stopped
T01 << 1462342301.70173502 SCF-cycle (9037.08712s) stopped
T01 >> 1462342302.58963299 Force calculation (345.85135s) started
T01 >> 1462342302.58969307 LCAO forces (221.93491s) started
T01 >> 1462342302.59004211 Initial (0.00026s) started
T01 << 1462342302.59005308 Initial (0.00028s) stopped
T01 >> 1462342302.59430504 Get density matrix (42.87297s) started
T01 << 1462342303.19823694 Get density matrix (43.47690s) stopped
T01 >> 1462342303.19830894 Potential (16.07707s) started
T01 << 1462342304.56838608 Potential (17.44715s) stopped
T01 >> 1462342304.56844997 Get density matrix (43.47694s) started
T01 << 1462342307.74300289 Get density matrix (46.65149s) stopped
T01 >> 1462342307.74313903 Prepare TCI loop (22.62526s) started
T01 >> 1462342307.74361110 Get neighbors (19.25437s) started
T01 << 1462342309.54669094 Get neighbors (21.05745s) stopped
T01 >> 1462342309.54691291 broadcast dH (3.36284s) started
T01 << 1462342309.63285708 broadcast dH (3.44878s) stopped
T01 << 1462342309.63290191 Prepare TCI loop (24.51502s) stopped
T01 >> 1462342309.63292098 Not so complicated loop (30.84491s) started
T01 << 1462342312.44509196 Not so complicated loop (33.65708s) stopped
T01 >> 1462342312.56653500 Complicated loop (108.08965s) started
T01 << 1462342322.03431296 Complicated loop (117.55743s) stopped
T01 >> 1462342322.05453610 Wait for sum (0.00061s) started
T01 << 1462342322.05458403 Wait for sum (0.00066s) stopped
T01 << 1462342322.05459809 LCAO forces (241.39982s) stopped
T01 << 1462342333.27600408 Force calculation (376.53772s) stopped
T01 >> 1462342333.29380798 Initialization (646.49330s) started
T01 << 1462342333.29399800 Initialization (646.49349s) stopped
T01 >> 1462342333.29426098 Initialization (646.49351s) started
T01 << 1462342333.29439092 Initialization (646.49364s) stopped
T01 >> 1462342333.29452395 Initialization (646.49366s) started
T01 << 1462342333.29465294 Initialization (646.49379s) stopped
T01 >> 1462342353.62221789 Initialization (646.49381s) started
T01 >> 1462342353.71082997 Basic WFS set positions (1.23753s) started
T01 >> 1462342353.71085691 Redistribute (0.02525s) started
T01 << 1462342353.71760798 Redistribute (0.03200s) stopped
T01 << 1462342353.81099296 Basic WFS set positions (1.33770s) stopped
T01 >> 1462342353.81102490 Basis functions set positions (5.50598s) started
T01 << 1462342354.22547698 Basis functions set positions (5.92043s) stopped
T01 >> 1462342354.22683406 TCI: Calculate S, T, P (191.25577s) started
T01 << 1462342369.18152690 TCI: Calculate S, T, P (206.21046s) stopped
T01 >> 1462342369.18161511 blocked summation (53.16385s) started
T01 << 1462342372.97641206 blocked summation (56.95864s) stopped
T01 >> 1462342372.97772288 Scalapack redistribute (2.58637s) started
T01 << 1462342373.03607392 Scalapack redistribute (2.64472s) stopped
T01 >> 1462342373.03643489 blocked summation (56.95869s) started
T01 << 1462342373.19862509 blocked summation (57.12088s) stopped
T01 >> 1462342373.20024610 Scalapack redistribute (2.64476s) started
T01 << 1462342373.39819598 Scalapack redistribute (2.84271s) stopped
T01 >> 1462342373.39976406 Redistribute (0.02343s) started
T01 << 1462342373.40079403 Redistribute (0.02446s) stopped
T01 >> 1462342374.31482697 Redistribute (0.02448s) started
T01 << 1462342374.31595492 Redistribute (0.02561s) stopped
T01 >> 1462342374.32676411 LCAO WFS Initialize (377.93572s) started
T01 >> 1462342374.32679200 Density initialize from wavefunctions (14.41501s) started
T01 >> 1462342374.32719803 Calculate density matrix (8.41692s) started
T01 << 1462342375.02733207 Calculate density matrix (9.11706s) stopped
T01 >> 1462342375.02739906 Construct density (2.01876s) started
T01 << 1462342375.20202303 Construct density (2.19339s) stopped
T01 >> 1462342375.20366096 Symmetrize density (0.00049s) started
T01 << 1462342375.20369506 Symmetrize density (0.00052s) stopped
T01 << 1462342375.53448606 Density initialize from wavefunctions (15.62270s) stopped
T01 >> 1462342375.53512096 Hamiltonian (363.31872s) started
T01 >> 1462342375.53515792 vbar (0.16283s) started
T01 << 1462342375.55109096 vbar (0.17877s) stopped
T01 >> 1462342375.55119109 XC 3D grid (131.67148s) started
T01 >> 1462342375.72385001 van der Waals (127.03965s) started
T01 >> 1462342375.76757503 semilocal (28.95811s) started
T01 << 1462342377.96691704 semilocal (31.15746s) stopped
T01 >> 1462342378.00001597 redistribute (14.60201s) started
T01 << 1462342378.39653397 redistribute (14.99853s) stopped
T01 >> 1462342378.39658403 libvdwxc nonlocal (82.52722s) started
T01 << 1462342385.11530089 libvdwxc nonlocal (89.24594s) stopped
T01 >> 1462342385.11536598 redistribute (14.99857s) started
T01 << 1462342385.75049710 redistribute (15.63370s) stopped
T01 << 1462342385.75177693 van der Waals (137.06758s) stopped
T01 << 1462342385.93280697 XC 3D grid (142.05309s) stopped
T01 >> 1462342385.93285203 Poisson (62.61916s) started
T01 << 1462342390.61278009 Poisson (67.29909s) stopped
T01 >> 1462342390.61286211 Hartree integrate/restrict (1.03477s) started
T01 << 1462342390.63181710 Hartree integrate/restrict (1.05373s) stopped
T01 >> 1462342390.63191295 Hartree integrate/restrict (1.05380s) started
T01 << 1462342390.69292688 Hartree integrate/restrict (1.11482s) stopped
T01 >> 1462342390.71601200 Atomic (85.63546s) started
T01 >> 1462342390.72646499 XC Correction (85.47028s) started
T01 << 1462342397.37889194 XC Correction (92.12271s) stopped
T01 << 1462342397.38203692 Atomic (92.30148s) stopped
T01 >> 1462342397.38228512 Communicate (81.88693s) started
T01 << 1462342404.17460895 Communicate (88.67925s) stopped
T01 << 1462342404.17463899 Hamiltonian (391.95824s) stopped
T01 << 1462342404.17469907 LCAO WFS Initialize (407.78366s) stopped
T01 << 1462342404.18706107 Initialization (697.05865s) stopped
T01 >> 1462342404.21227789 SCF-cycle (9037.08714s) started
T01 >> 1462342404.21231890 LCAO eigensolver (2241.93766s) started
T01 >> 1462342404.21233201 Potential matrix (71.29473s) started
T01 << 1462342404.47233510 Potential matrix (71.55474s) stopped
T01 >> 1462342404.47241092 DistributedAtomicCorrection (371.89091s) started
T01 << 1462342405.75734711 DistributedAtomicCorrection (373.17585s) stopped
T01 >> 1462342405.75741601 Distribute overlap matrix (324.25413s) started
T01 >> 1462342405.75743890 blocked summation (307.62167s) started
T01 << 1462342406.88935304 blocked summation (308.75358s) stopped
T01 >> 1462342406.89088202 Scalapack redistribute (16.24352s) started
T01 << 1462342406.94729590 Scalapack redistribute (16.29993s) stopped
T01 << 1462342406.94737911 Distribute overlap matrix (325.44409s) stopped
T01 >> 1462342406.94795895 Blacs Orbital Layouts (766.85594s) started
T01 >> 1462342406.94911695 General diagonalize (751.68117s) started
T01 << 1462342409.64914703 General diagonalize (754.38120s) stopped
T01 >> 1462342409.64919806 Redistribute coefs (0.78281s) started
T01 << 1462342409.65226603 Redistribute coefs (0.78588s) stopped
T01 >> 1462342409.65231109 Send coefs to domains (13.98553s) started
T01 << 1462342409.70217705 Send coefs to domains (14.03539s) stopped
T01 << 1462342409.70223093 Blacs Orbital Layouts (769.61021s) stopped
T01 >> 1462342409.70225596 Calculate projections (707.40885s) started
T01 << 1462342412.20397711 Calculate projections (709.91057s) stopped
T01 << 1462342412.20405602 LCAO eigensolver (2249.92940s) stopped
T01 >> 1462342412.20471406 Density (550.86238s) started
T01 >> 1462342412.20472693 Pseudo density (455.34525s) started
T01 >> 1462342412.20516610 Calculate density matrix (409.76676s) started
T01 << 1462342413.75672889 Calculate density matrix (411.31832s) stopped
T01 >> 1462342413.75680399 Construct density (44.95754s) started
T01 << 1462342413.93118906 Construct density (45.13193s) stopped
T01 >> 1462342413.93262696 Symmetrize density (0.01128s) started
T01 << 1462342413.93266296 Symmetrize density (0.01131s) stopped
T01 << 1462342413.93310094 Pseudo density (457.07363s) stopped
T01 >> 1462342413.93312097 Atomic density matrices (63.19776s) started
T01 << 1462342414.16807008 Atomic density matrices (63.43271s) stopped
T01 >> 1462342414.16811109 Multipole moments (1.02171s) started
T01 << 1462342414.17222595 Multipole moments (1.02582s) stopped
T01 >> 1462342414.17224908 Normalize (0.27357s) started
T01 << 1462342414.17332602 Normalize (0.27465s) stopped
T01 >> 1462342414.17336106 Mix (31.00702s) started
T01 << 1462342414.27700400 Mix (31.11067s) stopped
T01 << 1462342414.27708793 Density (552.93476s) stopped
T01 >> 1462342414.27716303 Hamiltonian (6244.06413s) started
T01 >> 1462342414.27718210 vbar (3.27877s) started
T01 << 1462342414.29393411 vbar (3.29553s) stopped
T01 >> 1462342414.29405189 XC 3D grid (2708.67560s) started
T01 >> 1462342414.46806002 van der Waals (2613.45776s) started
T01 >> 1462342414.51290011 semilocal (595.11312s) started
T01 << 1462342416.73160601 semilocal (597.33182s) stopped
T01 >> 1462342416.76449394 redistribute (299.23014s) started
T01 << 1462342417.15361810 redistribute (299.61927s) stopped
T01 >> 1462342417.15368795 libvdwxc nonlocal (1699.36698s) started
T01 << 1462342423.85394001 libvdwxc nonlocal (1706.06723s) stopped
T01 >> 1462342423.85401511 redistribute (299.61930s) started
T01 << 1462342424.49481392 redistribute (300.26010s) stopped
T01 << 1462342424.49623895 van der Waals (2623.48594s) stopped
T01 << 1462342424.67844796 XC 3D grid (2719.05999s) stopped
T01 >> 1462342424.67850900 Poisson (572.10039s) started
T01 << 1462342427.04392505 Poisson (574.46581s) stopped
T01 >> 1462342427.04404593 Hartree integrate/restrict (21.35629s) started
T01 << 1462342427.06288290 Hartree integrate/restrict (21.37513s) stopped
T01 >> 1462342427.06298804 Hartree integrate/restrict (21.37520s) started
T01 << 1462342427.12541604 Hartree integrate/restrict (21.43763s) stopped
T01 >> 1462342427.14322305 Atomic (1663.95327s) started
T01 >> 1462342427.15334105 XC Correction (1660.58732s) started
T01 << 1462342433.82238007 XC Correction (1667.25636s) stopped
T01 << 1462342433.82546997 Atomic (1670.63551s) stopped
T01 >> 1462342433.82561207 Communicate (1268.78917s) started
T01 << 1462342439.95558596 Communicate (1274.91915s) stopped
T01 << 1462342439.95561504 Hamiltonian (6269.74258s) stopped
T01 >> 1462342439.95571303 LCAO eigensolver (2249.92942s) started
T01 >> 1462342439.95572710 Potential matrix (71.55478s) started
T01 << 1462342440.21459007 Potential matrix (71.81364s) stopped
T01 >> 1462342440.21466804 DistributedAtomicCorrection (373.17589s) started
T01 << 1462342441.50231290 DistributedAtomicCorrection (374.46353s) stopped
T01 >> 1462342441.50238204 Distribute overlap matrix (325.44411s) started
T01 >> 1462342441.50240493 blocked summation (308.75362s) started
T01 << 1462342442.63005400 blocked summation (309.88127s) stopped
T01 >> 1462342442.63155293 Scalapack redistribute (16.29997s) started
T01 << 1462342442.68744493 Scalapack redistribute (16.35586s) stopped
T01 << 1462342442.68753004 Distribute overlap matrix (326.62925s) stopped
T01 >> 1462342442.68813896 Blacs Orbital Layouts (769.61022s) started
T01 >> 1462342442.68940592 General diagonalize (754.38123s) started
T01 << 1462342445.40188003 General diagonalize (757.09371s) stopped
T01 >> 1462342445.40194392 Redistribute coefs (0.78591s) started
T01 << 1462342445.40480304 Redistribute coefs (0.78877s) stopped
T01 >> 1462342445.40484691 Send coefs to domains (14.03543s) started
T01 << 1462342445.45461512 Send coefs to domains (14.08520s) stopped
T01 << 1462342445.45466995 Blacs Orbital Layouts (772.37675s) stopped
T01 >> 1462342445.45471692 Calculate projections (709.91062s) started
T01 << 1462342447.95654392 Calculate projections (712.41245s) stopped
T01 << 1462342447.95662403 LCAO eigensolver (2257.93033s) stopped
T01 >> 1462342447.95729995 Density (552.93477s) started
T01 >> 1462342447.95731211 Pseudo density (457.07364s) started
T01 >> 1462342447.95775509 Calculate density matrix (411.31837s) started
T01 << 1462342449.50340009 Calculate density matrix (412.86401s) stopped
T01 >> 1462342449.50347900 Construct density (45.13197s) started
T01 << 1462342449.67742705 Construct density (45.30591s) stopped
T01 >> 1462342449.67887306 Symmetrize density (0.01133s) started
T01 << 1462342449.67890596 Symmetrize density (0.01136s) stopped
T01 << 1462342449.67934299 Pseudo density (458.79567s) stopped
T01 >> 1462342449.67936206 Atomic density matrices (63.43274s) started
T01 << 1462342449.91377306 Atomic density matrices (63.66715s) stopped
T01 >> 1462342449.91381311 Multipole moments (1.02584s) started
T01 << 1462342449.91791105 Multipole moments (1.02994s) stopped
T01 >> 1462342449.91793394 Normalize (0.27467s) started
T01 << 1462342449.91899395 Normalize (0.27573s) stopped
T01 >> 1462342449.91902590 Mix (31.11075s) started
T01 << 1462342450.02839708 Mix (31.22012s) stopped
T01 << 1462342450.02850294 Density (555.00597s) stopped
T01 >> 1462342450.02858305 Hamiltonian (6269.74259s) started
T01 >> 1462342450.02860308 vbar (3.29559s) started
T01 << 1462342450.04482698 vbar (3.31182s) stopped
T01 >> 1462342450.04490709 XC 3D grid (2719.06004s) started
T01 >> 1462342450.22473407 van der Waals (2623.48602s) started
T01 >> 1462342450.26934004 semilocal (597.33193s) started
T01 << 1462342452.49822998 semilocal (599.56082s) stopped
T01 >> 1462342452.53110909 redistribute (300.26015s) started
T01 << 1462342452.90908289 redistribute (300.63813s) stopped
T01 >> 1462342452.90914893 libvdwxc nonlocal (1706.06729s) started
T01 << 1462342459.60158110 libvdwxc nonlocal (1712.75972s) stopped
T01 >> 1462342459.60165405 redistribute (300.63817s) started
T01 << 1462342460.24063301 redistribute (301.27714s) stopped
T01 << 1462342460.24197698 van der Waals (2633.50327s) stopped
T01 << 1462342460.42212605 XC 3D grid (2729.43726s) stopped
T01 >> 1462342460.42218900 Poisson (574.46591s) started
T01 << 1462342462.78143597 Poisson (576.82516s) stopped
T01 >> 1462342462.78152490 Hartree integrate/restrict (21.43767s) started
T01 << 1462342462.80055809 Hartree integrate/restrict (21.45670s) stopped
T01 >> 1462342462.80062199 Hartree integrate/restrict (21.45675s) started
T01 << 1462342462.86256409 Hartree integrate/restrict (21.51869s) stopped
T01 >> 1462342462.88301706 Atomic (1670.63553s) started
T01 >> 1462342462.89309597 XC Correction (1667.25638s) started
T01 << 1462342469.33964205 XC Correction (1673.70293s) stopped
T01 << 1462342469.34269404 Atomic (1677.09521s) stopped
T01 >> 1462342469.34283710 Communicate (1274.91917s) started
T01 << 1462342474.85524797 Communicate (1280.43158s) stopped
T01 << 1462342474.85528803 Hamiltonian (6294.56930s) stopped
T01 >> 1462342474.85541105 LCAO eigensolver (2257.93034s) started
T01 >> 1462342474.85542488 Potential matrix (71.81368s) started
T01 << 1462342475.11247301 Potential matrix (72.07073s) stopped
T01 >> 1462342475.11254907 DistributedAtomicCorrection (374.46357s) started
T01 << 1462342476.40563011 DistributedAtomicCorrection (375.75665s) stopped
T01 >> 1462342476.40570211 Distribute overlap matrix (326.62927s) started
T01 >> 1462342476.40572405 blocked summation (309.88131s) started
T01 << 1462342477.53588700 blocked summation (311.01147s) stopped
T01 >> 1462342477.53731108 Scalapack redistribute (16.35591s) started
T01 << 1462342477.59584093 Scalapack redistribute (16.41444s) stopped
T01 << 1462342477.59591603 Distribute overlap matrix (327.81948s) stopped
T01 >> 1462342477.59648204 Blacs Orbital Layouts (772.37676s) started
T01 >> 1462342477.59757495 General diagonalize (757.09375s) started
T01 << 1462342480.31682301 General diagonalize (759.81300s) stopped
T01 >> 1462342480.31688499 Redistribute coefs (0.78880s) started
T01 << 1462342480.31997108 Redistribute coefs (0.79189s) stopped
T01 >> 1462342480.32001710 Send coefs to domains (14.08524s) started
T01 << 1462342480.36988497 Send coefs to domains (14.13511s) stopped
T01 << 1462342480.36994100 Blacs Orbital Layouts (775.15022s) stopped
T01 >> 1462342480.36998200 Calculate projections (712.41251s) started
T01 << 1462342482.87171507 Calculate projections (714.91424s) stopped
T01 << 1462342482.87179995 LCAO eigensolver (2265.94673s) stopped
T01 >> 1462342482.87254310 Density (555.00599s) started
T01 >> 1462342482.87255597 Pseudo density (458.79569s) started
T01 >> 1462342482.87299895 Calculate density matrix (412.86406s) started
T01 << 1462342484.43429399 Calculate density matrix (414.42536s) stopped
T01 >> 1462342484.43438292 Construct density (45.30595s) started
T01 << 1462342484.60820699 Construct density (45.47977s) stopped
T01 >> 1462342484.60965490 Symmetrize density (0.01137s) started
T01 << 1462342484.60968995 Symmetrize density (0.01140s) stopped
T01 << 1462342484.61012101 Pseudo density (460.53325s) stopped
T01 >> 1462342484.61014009 Atomic density matrices (63.66718s) started
T01 << 1462342484.84561110 Atomic density matrices (63.90265s) stopped
T01 >> 1462342484.84565306 Multipole moments (1.02995s) started
T01 << 1462342484.84960890 Multipole moments (1.03391s) stopped
T01 >> 1462342484.84963107 Normalize (0.27575s) started
T01 << 1462342484.85066700 Normalize (0.27679s) stopped
T01 >> 1462342484.85070300 Mix (31.22022s) started
T01 << 1462342484.96366692 Mix (31.33318s) stopped
T01 << 1462342484.96371102 Density (557.09716s) stopped
T01 >> 1462342484.96378207 Hamiltonian (6294.56931s) started
T01 >> 1462342484.96380210 vbar (3.31186s) started
T01 << 1462342484.98025608 vbar (3.32832s) stopped
T01 >> 1462342484.98032093 XC 3D grid (2729.43731s) started
T01 >> 1462342485.15179396 van der Waals (2633.50331s) started
T01 >> 1462342485.19577909 semilocal (599.56092s) started
T01 << 1462342487.40770411 semilocal (601.77284s) stopped
T01 >> 1462342487.44153595 redistribute (301.27719s) started
T01 << 1462342487.83941603 redistribute (301.67507s) stopped
T01 >> 1462342487.83948207 libvdwxc nonlocal (1712.75977s) started
T01 << 1462342494.53868604 libvdwxc nonlocal (1719.45898s) stopped
T01 >> 1462342494.53876591 redistribute (301.67511s) started
T01 << 1462342495.17946696 redistribute (302.31581s) stopped
T01 << 1462342495.18066597 van der Waals (2643.53219s) stopped
T01 << 1462342495.36279798 XC 3D grid (2739.81979s) stopped
T01 >> 1462342495.36284804 Poisson (576.82523s) started
T01 << 1462342498.30919290 Poisson (579.77157s) stopped
T01 >> 1462342498.30926108 Hartree integrate/restrict (21.51877s) started
T01 << 1462342498.32802701 Hartree integrate/restrict (21.53754s) stopped
T01 >> 1462342498.32810593 Hartree integrate/restrict (21.53759s) started
T01 << 1462342498.38990092 Hartree integrate/restrict (21.59938s) stopped
T01 >> 1462342498.41272092 Atomic (1677.09523s) started
T01 >> 1462342498.42275596 XC Correction (1673.70296s) started
T01 << 1462342504.70256710 XC Correction (1679.98277s) stopped
T01 << 1462342504.70565009 Atomic (1683.38816s) stopped
T01 >> 1462342504.70580101 Communicate (1280.43161s) started
T01 << 1462342509.52964902 Communicate (1285.25545s) stopped
T01 << 1462342509.52968192 Hamiltonian (6319.13521s) stopped
T01 >> 1462342509.52977109 LCAO eigensolver (2265.94674s) started
T01 >> 1462342509.52978396 Potential matrix (72.07077s) started
T01 << 1462342509.78722692 Potential matrix (72.32822s) stopped
T01 >> 1462342509.78730202 DistributedAtomicCorrection (375.75669s) started
T01 << 1462342511.06855607 DistributedAtomicCorrection (377.03795s) stopped
T01 >> 1462342511.06862497 Distribute overlap matrix (327.81949s) started
T01 >> 1462342511.06864691 blocked summation (311.01151s) started
T01 << 1462342512.17621589 blocked summation (312.11908s) stopped
T01 >> 1462342512.17766500 Scalapack redistribute (16.41447s) started
T01 << 1462342512.23609209 Scalapack redistribute (16.47290s) stopped
T01 << 1462342512.23616910 Distribute overlap matrix (328.98704s) stopped
T01 >> 1462342512.23674202 Blacs Orbital Layouts (775.15024s) started
T01 >> 1462342512.23789907 General diagonalize (759.81303s) started
T01 << 1462342514.94548392 General diagonalize (762.52062s) stopped
T01 >> 1462342514.94554710 Redistribute coefs (0.79193s) started
T01 << 1462342514.94826388 Redistribute coefs (0.79464s) stopped
T01 >> 1462342514.94830704 Send coefs to domains (14.13516s) started
T01 << 1462342514.99916697 Send coefs to domains (14.18602s) stopped
T01 << 1462342514.99922490 Blacs Orbital Layouts (777.91272s) stopped
T01 >> 1462342514.99926996 Calculate projections (714.91430s) started
T01 << 1462342517.50100088 Calculate projections (717.41603s) stopped
T01 << 1462342517.50107789 LCAO eigensolver (2273.91805s) stopped
T01 >> 1462342517.50185108 Density (557.09717s) started
T01 >> 1462342517.50186396 Pseudo density (460.53326s) started
T01 >> 1462342517.50230408 Calculate density matrix (414.42541s) started
T01 << 1462342519.06147003 Calculate density matrix (415.98457s) stopped
T01 >> 1462342519.06155300 Construct density (45.47981s) started
T01 << 1462342519.23589993 Construct density (45.65416s) stopped
T01 >> 1462342519.23734307 Symmetrize density (0.01142s) started
T01 << 1462342519.23737502 Symmetrize density (0.01145s) stopped
T01 << 1462342519.23782301 Pseudo density (462.26922s) stopped
T01 >> 1462342519.23784208 Atomic density matrices (63.90268s) started
T01 << 1462342519.47218895 Atomic density matrices (64.13703s) stopped
T01 >> 1462342519.47222900 Multipole moments (1.03392s) started
T01 << 1462342519.47610092 Multipole moments (1.03780s) stopped
T01 >> 1462342519.47612309 Normalize (0.27682s) started
T01 << 1462342519.47716498 Normalize (0.27786s) stopped
T01 >> 1462342519.47719908 Mix (31.33323s) started
T01 << 1462342519.59113908 Mix (31.44717s) stopped
T01 << 1462342519.59118891 Density (559.18651s) stopped
T01 >> 1462342519.59125996 Hamiltonian (6319.13522s) started
T01 >> 1462342519.59127903 vbar (3.32835s) started
T01 << 1462342519.60840106 vbar (3.34547s) stopped
T01 >> 1462342519.60847592 XC 3D grid (2739.81983s) started
T01 >> 1462342519.78715801 van der Waals (2643.53223s) started
T01 >> 1462342519.83202195 semilocal (601.77296s) started
T01 << 1462342522.05087304 semilocal (603.99181s) stopped
T01 >> 1462342522.08377290 redistribute (302.31585s) started
T01 << 1462342522.46237111 redistribute (302.69445s) stopped
T01 >> 1462342522.46243906 libvdwxc nonlocal (1719.45903s) started
T01 << 1462342529.17047095 libvdwxc nonlocal (1726.16706s) stopped
T01 >> 1462342529.17055798 redistribute (302.69449s) started
T01 << 1462342529.81068802 redistribute (303.33462s) stopped
T01 << 1462342529.81194997 van der Waals (2653.55702s) stopped
T01 << 1462342529.99342895 XC 3D grid (2750.20478s) stopped
T01 >> 1462342529.99350309 Poisson (579.77162s) started
T01 << 1462342532.35358000 Poisson (582.13170s) stopped
T01 >> 1462342532.35371304 Hartree integrate/restrict (21.59942s) started
T01 << 1462342532.37247300 Hartree integrate/restrict (21.61818s) stopped
T01 >> 1462342532.37261605 Hartree integrate/restrict (21.61828s) started
T01 << 1462342532.43485999 Hartree integrate/restrict (21.68052s) stopped
T01 >> 1462342532.45242190 Atomic (1683.38818s) started
T01 >> 1462342532.46245003 XC Correction (1679.98280s) started
T01 << 1462342538.74752808 XC Correction (1686.26788s) stopped
T01 << 1462342538.75060296 Atomic (1689.68636s) stopped
T01 >> 1462342538.75075293 Communicate (1285.25548s) started
T01 << 1462342543.45645595 Communicate (1289.96118s) stopped
T01 << 1462342543.45648289 Hamiltonian (6343.00044s) stopped
T01 >> 1462342543.45657611 LCAO eigensolver (2273.91806s) started
T01 >> 1462342543.45658994 Potential matrix (72.32826s) started
T01 << 1462342543.71448994 Potential matrix (72.58616s) stopped
T01 >> 1462342543.71456409 DistributedAtomicCorrection (377.03798s) started
T01 << 1462342544.99474192 DistributedAtomicCorrection (378.31816s) stopped
T01 >> 1462342544.99481201 Distribute overlap matrix (328.98705s) started
T01 >> 1462342544.99483490 blocked summation (312.11912s) started
T01 << 1462342546.08992600 blocked summation (313.21421s) stopped
T01 >> 1462342546.09136510 Scalapack redistribute (16.47293s) started
T01 << 1462342546.15103793 Scalapack redistribute (16.53261s) stopped
T01 << 1462342546.15111399 Distribute overlap matrix (330.14335s) stopped
T01 >> 1462342546.15170693 Blacs Orbital Layouts (777.91273s) started
T01 >> 1462342546.15296412 General diagonalize (762.52066s) started
T01 << 1462342548.83292508 General diagonalize (765.20062s) stopped
T01 >> 1462342548.83298707 Redistribute coefs (0.79468s) started
T01 << 1462342548.83567405 Redistribute coefs (0.79736s) stopped
T01 >> 1462342548.83571911 Send coefs to domains (14.18606s) started
T01 << 1462342548.88617396 Send coefs to domains (14.23652s) stopped
T01 << 1462342548.88645911 Blacs Orbital Layouts (780.64748s) stopped
T01 >> 1462342548.88650703 Calculate projections (717.41608s) started
T01 << 1462342551.38815689 Calculate projections (719.91773s) stopped
T01 << 1462342551.38823605 LCAO eigensolver (2281.84972s) stopped
T01 >> 1462342551.38900089 Density (559.18652s) started
T01 >> 1462342551.38901496 Pseudo density (462.26924s) started
T01 >> 1462342551.38945103 Calculate density matrix (415.98461s) started
T01 << 1462342552.94725299 Calculate density matrix (417.54241s) stopped
T01 >> 1462342552.94734001 Construct density (45.65420s) started
T01 << 1462342553.12119007 Construct density (45.82805s) stopped
T01 >> 1462342553.12265491 Symmetrize density (0.01146s) started
T01 << 1462342553.12268996 Symmetrize density (0.01149s) stopped
T01 << 1462342553.12312102 Pseudo density (464.00334s) stopped
T01 >> 1462342553.12314010 Atomic density matrices (64.13705s) started
T01 << 1462342553.35942411 Atomic density matrices (64.37334s) stopped
T01 >> 1462342553.35946393 Multipole moments (1.03781s) started
T01 << 1462342553.36332703 Multipole moments (1.04167s) stopped
T01 >> 1462342553.36334896 Normalize (0.27788s) started
T01 << 1462342553.36439300 Normalize (0.27893s) stopped
T01 >> 1462342553.36442590 Mix (31.44721s) started
T01 << 1462342553.48295593 Mix (31.56574s) stopped
T01 << 1462342553.48300290 Density (561.28053s) stopped
T01 >> 1462342553.48307610 Hamiltonian (6343.00046s) started
T01 >> 1462342553.48309398 vbar (3.34552s) started
T01 << 1462342553.49988890 vbar (3.36231s) stopped
T01 >> 1462342553.49995303 XC 3D grid (2750.20484s) started
T01 >> 1462342553.67792892 van der Waals (2653.55705s) started
T01 >> 1462342553.72333694 semilocal (603.99187s) started
T01 << 1462342555.95494890 semilocal (606.22349s) stopped
T01 >> 1462342555.98698211 redistribute (303.33469s) started
T01 << 1462342556.37055707 redistribute (303.71827s) stopped
T01 >> 1462342556.37062407 libvdwxc nonlocal (1726.16712s) started
T01 << 1462342563.05633998 libvdwxc nonlocal (1732.85284s) stopped
T01 >> 1462342563.05641508 redistribute (303.71831s) started
T01 << 1462342563.70017791 redistribute (304.36207s) stopped
T01 << 1462342563.70136809 van der Waals (2663.58049s) stopped
T01 << 1462342563.88204598 XC 3D grid (2760.58693s) stopped
T01 >> 1462342563.88209200 Poisson (582.13180s) started
T01 << 1462342566.84478402 Poisson (585.09449s) stopped
T01 >> 1462342566.84486794 Hartree integrate/restrict (21.68058s) started
T01 << 1462342566.86376905 Hartree integrate/restrict (21.69948s) stopped
T01 >> 1462342566.86383104 Hartree integrate/restrict (21.69952s) started
T01 << 1462342566.92597294 Hartree integrate/restrict (21.76166s) stopped
T01 >> 1462342566.94604206 Atomic (1689.68637s) started
T01 >> 1462342566.95629406 XC Correction (1686.26790s) started
T01 << 1462342573.27852988 XC Correction (1692.59014s) stopped
T01 << 1462342573.28159308 Atomic (1696.02193s) stopped
T01 >> 1462342573.28174305 Communicate (1289.96120s) started
T01 << 1462342577.97283912 Communicate (1294.65229s) stopped
T01 << 1462342577.97286701 Hamiltonian (6367.49025s) stopped
T01 >> 1462342577.97296095 LCAO eigensolver (2281.84974s) started
T01 >> 1462342577.97297502 Potential matrix (72.58620s) started
T01 << 1462342578.23368812 Potential matrix (72.84691s) stopped
T01 >> 1462342578.23376393 DistributedAtomicCorrection (378.31820s) started
T01 << 1462342579.52308011 DistributedAtomicCorrection (379.60752s) stopped
T01 >> 1462342579.52314901 Distribute overlap matrix (330.14336s) started
T01 >> 1462342579.52317309 blocked summation (313.21425s) started
T01 << 1462342580.58581209 blocked summation (314.27689s) stopped
T01 >> 1462342580.58753300 Scalapack redistribute (16.53264s) started
T01 << 1462342580.64719296 Scalapack redistribute (16.59230s) stopped
T01 << 1462342580.64727211 Distribute overlap matrix (331.26748s) stopped
T01 >> 1462342580.64787006 Blacs Orbital Layouts (780.64750s) started
T01 >> 1462342580.64922309 General diagonalize (765.20066s) started
T01 << 1462342583.33561897 General diagonalize (767.88705s) stopped
T01 >> 1462342583.33568597 Redistribute coefs (0.79740s) started
T01 << 1462342583.33841300 Redistribute coefs (0.80012s) stopped
T01 >> 1462342583.33845901 Send coefs to domains (14.23655s) started
T01 << 1462342583.38861895 Send coefs to domains (14.28671s) stopped
T01 << 1462342583.38890696 Blacs Orbital Layouts (783.38854s) stopped
T01 >> 1462342583.38896298 Calculate projections (719.91778s) started
T01 << 1462342585.89071393 Calculate projections (722.41953s) stopped
T01 << 1462342585.89099193 LCAO eigensolver (2289.76777s) stopped
T01 >> 1462342585.89170289 Density (561.28054s) started
T01 >> 1462342585.89171600 Pseudo density (464.00336s) started
T01 >> 1462342585.89215398 Calculate density matrix (417.54246s) started
T01 << 1462342587.44987392 Calculate density matrix (419.10018s) stopped
T01 >> 1462342587.44996905 Construct density (45.82808s) started
T01 << 1462342587.62374306 Construct density (46.00186s) stopped
T01 >> 1462342587.62518811 Symmetrize density (0.01150s) started
T01 << 1462342587.62522197 Symmetrize density (0.01154s) stopped
T01 << 1462342587.62565589 Pseudo density (465.73730s) stopped
T01 >> 1462342587.62567902 Atomic density matrices (64.37336s) started
T01 << 1462342587.86197400 Atomic density matrices (64.60966s) stopped
T01 >> 1462342587.86201501 Multipole moments (1.04169s) started
T01 << 1462342587.86584711 Multipole moments (1.04552s) stopped
T01 >> 1462342587.86586905 Normalize (0.27895s) started
T01 << 1462342587.86691308 Normalize (0.28000s) stopped
T01 >> 1462342587.86694789 Mix (31.56579s) started
T01 << 1462342587.98770690 Mix (31.68655s) stopped
T01 << 1462342587.98780894 Density (563.37665s) stopped
T01 >> 1462342587.98789692 Hamiltonian (6367.49026s) started
T01 >> 1462342587.98791599 vbar (3.36235s) started
T01 << 1462342588.00409007 vbar (3.37852s) stopped
T01 >> 1462342588.00417995 XC 3D grid (2760.58697s) started
T01 >> 1462342588.17732310 van der Waals (2663.58053s) started
T01 >> 1462342588.22131991 semilocal (606.22356s) started
T01 << 1462342590.44792700 semilocal (608.45017s) stopped
T01 >> 1462342590.48053694 redistribute (304.36211s) started
T01 << 1462342590.86448097 redistribute (304.74605s) stopped
T01 >> 1462342590.86454797 libvdwxc nonlocal (1732.85289s) started
T01 << 1462342597.57678199 libvdwxc nonlocal (1739.56512s) stopped
T01 >> 1462342597.57685995 redistribute (304.74609s) started
T01 << 1462342598.21991396 redistribute (305.38914s) stopped
T01 << 1462342598.22107410 van der Waals (2673.62428s) stopped
T01 << 1462342598.40145707 XC 3D grid (2770.98424s) stopped
T01 >> 1462342598.40150690 Poisson (585.09455s) started
T01 << 1462342600.75844598 Poisson (587.45149s) stopped
T01 >> 1462342600.75853300 Hartree integrate/restrict (21.76170s) started
T01 << 1462342600.77753592 Hartree integrate/restrict (21.78070s) stopped
T01 >> 1462342600.77761412 Hartree integrate/restrict (21.78076s) started
T01 << 1462342600.83911991 Hartree integrate/restrict (21.84226s) stopped
T01 >> 1462342600.86127305 Atomic (1696.02194s) started
T01 >> 1462342600.87152696 XC Correction (1692.59016s) started
T01 << 1462342607.17948508 XC Correction (1698.89812s) stopped
T01 << 1462342607.18256807 Atomic (1702.34324s) stopped
T01 >> 1462342607.18271804 Communicate (1294.65231s) started
T01 << 1462342611.96842504 Communicate (1299.43802s) stopped
T01 << 1462342611.96845293 Hamiltonian (6391.47082s) stopped
T01 >> 1462342611.96854901 LCAO eigensolver (2289.76779s) started
T01 >> 1462342611.96856189 Potential matrix (72.84695s) started
T01 << 1462342612.22711897 Potential matrix (73.10551s) stopped
T01 >> 1462342612.22719502 DistributedAtomicCorrection (379.60755s) started
T01 << 1462342613.52092290 DistributedAtomicCorrection (380.90128s) stopped
T01 >> 1462342613.52098989 Distribute overlap matrix (331.26750s) started
T01 >> 1462342613.52101302 blocked summation (314.27694s) started
T01 << 1462342614.58071995 blocked summation (315.33664s) stopped
T01 >> 1462342614.58299088 Scalapack redistribute (16.59234s) started
T01 << 1462342614.64462709 Scalapack redistribute (16.65398s) stopped
T01 << 1462342614.64470911 Distribute overlap matrix (332.39122s) stopped
T01 >> 1462342614.64530993 Blacs Orbital Layouts (783.38856s) started
T01 >> 1462342614.64701390 General diagonalize (767.88709s) started
T01 << 1462342617.35318708 General diagonalize (770.59327s) stopped
T01 >> 1462342617.35325003 Redistribute coefs (0.80016s) started
T01 << 1462342617.35596800 Redistribute coefs (0.80288s) stopped
T01 >> 1462342617.35601306 Send coefs to domains (14.28676s) started
T01 << 1462342617.40705609 Send coefs to domains (14.33780s) stopped
T01 << 1462342617.40737891 Blacs Orbital Layouts (786.15062s) stopped
T01 >> 1462342617.40742993 Calculate projections (722.41959s) started
T01 << 1462342619.90912390 Calculate projections (724.92128s) stopped
T01 << 1462342619.90956092 LCAO eigensolver (2297.70880s) stopped
T01 >> 1462342619.91030502 Density (563.37667s) started
T01 >> 1462342619.91031790 Pseudo density (465.73731s) started
T01 >> 1462342619.91076112 Calculate density matrix (419.10023s) started
T01 << 1462342621.47441101 Calculate density matrix (420.66388s) stopped
T01 >> 1462342621.47449589 Construct density (46.00189s) started
T01 << 1462342621.64882493 Construct density (46.17622s) stopped
T01 >> 1462342621.65026903 Symmetrize density (0.01155s) started
T01 << 1462342621.65030098 Symmetrize density (0.01158s) stopped
T01 << 1462342621.65074801 Pseudo density (467.47774s) stopped
T01 >> 1462342621.65076709 Atomic density matrices (64.60969s) started
T01 << 1462342621.88624406 Atomic density matrices (64.84517s) stopped
T01 >> 1462342621.88628507 Multipole moments (1.04554s) started
T01 << 1462342621.89013696 Multipole moments (1.04939s) stopped
T01 >> 1462342621.89015889 Normalize (0.28002s) started
T01 << 1462342621.89122009 Normalize (0.28108s) stopped
T01 >> 1462342621.89125395 Mix (31.68665s) started
T01 << 1462342622.00942802 Mix (31.80482s) stopped
T01 << 1462342622.00950289 Density (565.47586s) stopped
T01 >> 1462342622.00957990 Hamiltonian (6391.47083s) started
T01 >> 1462342622.00959897 vbar (3.37858s) started
T01 << 1462342622.02661800 vbar (3.39560s) stopped
T01 >> 1462342622.02671790 XC 3D grid (2770.98428s) started
T01 >> 1462342622.19950294 van der Waals (2673.62433s) started
T01 >> 1462342622.24475789 semilocal (608.45025s) started
T01 << 1462342624.45902395 semilocal (610.66451s) stopped
T01 >> 1462342624.49206305 redistribute (305.38918s) started
T01 << 1462342624.87880802 redistribute (305.77593s) stopped
T01 >> 1462342624.87887406 libvdwxc nonlocal (1739.56517s) started
T01 << 1462342631.57735991 libvdwxc nonlocal (1746.26366s) stopped
T01 >> 1462342631.57744002 redistribute (305.77596s) started
T01 << 1462342632.21852303 redistribute (306.41705s) stopped
T01 << 1462342632.21978307 van der Waals (2683.64461s) stopped
T01 << 1462342632.39968491 XC 3D grid (2781.35725s) stopped
T01 >> 1462342632.39974499 Poisson (587.45156s) started
T01 << 1462342634.76342201 Poisson (589.81524s) stopped
T01 >> 1462342634.76354194 Hartree integrate/restrict (21.84230s) started
T01 << 1462342634.78237605 Hartree integrate/restrict (21.86114s) stopped
T01 >> 1462342634.78251410 Hartree integrate/restrict (21.86123s) started
T01 << 1462342634.84459901 Hartree integrate/restrict (21.92332s) stopped
T01 >> 1462342634.86192012 Atomic (1702.34326s) started
T01 >> 1462342634.87215805 XC Correction (1698.89814s) started
T01 << 1462342641.19023108 XC Correction (1705.21621s) stopped
T01 << 1462342641.19333196 Atomic (1708.67467s) stopped
T01 >> 1462342641.19347596 Communicate (1299.43804s) started
T01 << 1462342646.03615093 Communicate (1304.28071s) stopped
T01 << 1462342646.03617907 Hamiltonian (6415.49743s) stopped
T01 >> 1462342646.03627300 LCAO eigensolver (2297.70882s) started
T01 >> 1462342646.03628612 Potential matrix (73.10555s) started
T01 << 1462342646.29430509 Potential matrix (73.36357s) stopped
T01 >> 1462342646.29438090 DistributedAtomicCorrection (380.90132s) started
T01 << 1462342647.60518193 DistributedAtomicCorrection (382.21212s) stopped
T01 >> 1462342647.60525107 Distribute overlap matrix (332.39123s) started
T01 >> 1462342647.60527396 blocked summation (315.33668s) started
T01 << 1462342648.65177798 blocked summation (316.38319s) stopped
T01 >> 1462342648.65351796 Scalapack redistribute (16.65402s) started
T01 << 1462342648.71680498 Scalapack redistribute (16.71730s) stopped
T01 << 1462342648.71688199 Distribute overlap matrix (333.50286s) stopped
T01 >> 1462342648.71746898 Blacs Orbital Layouts (786.15064s) started
T01 >> 1462342648.71960092 General diagonalize (770.59330s) started
T01 << 1462342651.41237211 General diagonalize (773.28608s) stopped
T01 >> 1462342651.41243410 Redistribute coefs (0.80291s) started
T01 << 1462342651.41520500 Redistribute coefs (0.80568s) stopped
T01 >> 1462342651.41525102 Send coefs to domains (14.33784s) started
T01 << 1462342651.46622396 Send coefs to domains (14.38882s) stopped
T01 << 1462342651.46674490 Blacs Orbital Layouts (788.89992s) stopped
T01 >> 1462342651.46679711 Calculate projections (724.92134s) started
T01 << 1462342653.96842599 Calculate projections (727.42297s) stopped
T01 << 1462342653.96870995 LCAO eigensolver (2305.64126s) stopped
T01 >> 1462342653.96944094 Density (565.47588s) started
T01 >> 1462342653.96945500 Pseudo density (467.47776s) started
T01 >> 1462342653.96990108 Calculate density matrix (420.66392s) started
T01 << 1462342655.53255796 Calculate density matrix (422.22658s) stopped
T01 >> 1462342655.53265405 Construct density (46.17626s) started
T01 << 1462342655.70651698 Construct density (46.35012s) stopped
T01 >> 1462342655.70797205 Symmetrize density (0.01159s) started
T01 << 1462342655.70800495 Symmetrize density (0.01162s) stopped
T01 << 1462342655.70843792 Pseudo density (469.21674s) stopped
T01 >> 1462342655.70845795 Atomic density matrices (64.84519s) started
T01 << 1462342655.94462395 Atomic density matrices (65.08136s) stopped
T01 >> 1462342655.94466710 Multipole moments (1.04940s) started
T01 << 1462342655.94855595 Multipole moments (1.05329s) stopped
T01 >> 1462342655.94858003 Normalize (0.28110s) started
T01 << 1462342655.94963908 Normalize (0.28216s) stopped
T01 >> 1462342655.94967604 Mix (31.80489s) started
T01 << 1462342656.06849504 Mix (31.92371s) stopped
T01 << 1462342656.06856894 Density (567.57501s) stopped
T01 >> 1462342656.06864691 Hamiltonian (6415.49744s) started
T01 >> 1462342656.06866908 vbar (3.39566s) started
T01 << 1462342656.08561301 vbar (3.41260s) stopped
T01 >> 1462342656.08570695 XC 3D grid (2781.35729s) started
T01 >> 1462342656.26402807 van der Waals (2683.64463s) started
T01 >> 1462342656.30914688 semilocal (610.66463s) started
T01 << 1462342658.53610897 semilocal (612.89159s) stopped
T01 >> 1462342658.56944394 redistribute (306.41709s) started
T01 << 1462342658.95236897 redistribute (306.80001s) stopped
T01 >> 1462342658.95243597 libvdwxc nonlocal (1746.26371s) started
T01 << 1462342665.65849590 libvdwxc nonlocal (1752.96977s) stopped
T01 >> 1462342665.65857410 redistribute (306.80005s) started
T01 << 1462342666.30996895 redistribute (307.45145s) stopped
T01 << 1462342666.31114292 van der Waals (2693.69174s) stopped
T01 << 1462342666.49479008 XC 3D grid (2791.76638s) stopped
T01 >> 1462342666.49484205 Poisson (589.81533s) started
T01 << 1462342668.84813309 Poisson (592.16862s) stopped
T01 >> 1462342668.84822989 Hartree integrate/restrict (21.92336s) started
T01 << 1462342668.86739993 Hartree integrate/restrict (21.94253s) stopped
T01 >> 1462342668.86745405 Hartree integrate/restrict (21.94256s) started
T01 << 1462342668.92949295 Hartree integrate/restrict (22.00460s) stopped
T01 >> 1462342668.94933891 Atomic (1708.67468s) started
T01 >> 1462342668.95971203 XC Correction (1705.21624s) started
T01 << 1462342675.42903996 XC Correction (1711.68557s) stopped
T01 << 1462342675.43218589 Atomic (1715.15753s) stopped
T01 >> 1462342675.43233204 Communicate (1304.28073s) started
T01 << 1462342680.16194606 Communicate (1309.01035s) stopped
T01 << 1462342680.16197491 Hamiltonian (6439.59077s) stopped
T01 >> 1462342680.16206789 LCAO eigensolver (2305.64127s) started
T01 >> 1462342680.16208100 Potential matrix (73.36361s) started
T01 << 1462342680.41978788 Potential matrix (73.62132s) stopped
T01 >> 1462342680.41986108 DistributedAtomicCorrection (382.21215s) started
T01 << 1462342681.70734596 DistributedAtomicCorrection (383.49964s) stopped
T01 >> 1462342681.70741510 Distribute overlap matrix (333.50287s) started
T01 >> 1462342681.70743799 blocked summation (316.38323s) started
T01 << 1462342682.80005288 blocked summation (317.47584s) stopped
T01 >> 1462342682.80151606 Scalapack redistribute (16.71734s) started
T01 << 1462342682.86380196 Scalapack redistribute (16.77963s) stopped
T01 << 1462342682.86387992 Distribute overlap matrix (334.65933s) stopped
T01 >> 1462342682.86445189 Blacs Orbital Layouts (788.89994s) started
T01 >> 1462342682.86581898 General diagonalize (773.28611s) started
T01 << 1462342685.56113696 General diagonalize (775.98143s) stopped
T01 >> 1462342685.56119990 Redistribute coefs (0.80572s) started
T01 << 1462342685.56511593 Redistribute coefs (0.80963s) stopped
T01 >> 1462342685.56516194 Send coefs to domains (14.38885s) started
T01 << 1462342685.61430907 Send coefs to domains (14.43800s) stopped
T01 << 1462342685.61465502 Blacs Orbital Layouts (791.65014s) stopped
T01 >> 1462342685.61471510 Calculate projections (727.42302s) started
T01 << 1462342688.11638808 Calculate projections (729.92469s) stopped
T01 << 1462342688.11646795 LCAO eigensolver (2313.59567s) stopped
T01 >> 1462342688.11720705 Density (567.57502s) started
T01 >> 1462342688.11721992 Pseudo density (469.21676s) started
T01 >> 1462342688.11765790 Calculate density matrix (422.22663s) started
T01 << 1462342689.67848396 Calculate density matrix (423.78745s) stopped
T01 >> 1462342689.67857695 Construct density (46.35016s) started
T01 << 1462342689.85242605 Construct density (46.52401s) stopped
T01 >> 1462342689.85386896 Symmetrize density (0.01164s) started
T01 << 1462342689.85389996 Symmetrize density (0.01167s) stopped
T01 << 1462342689.85433602 Pseudo density (470.95387s) stopped
T01 >> 1462342689.85435605 Atomic density matrices (65.08139s) started
T01 << 1462342690.09162211 Atomic density matrices (65.31865s) stopped
T01 >> 1462342690.09166694 Multipole moments (1.05331s) started
T01 << 1462342690.09555292 Multipole moments (1.05719s) stopped
T01 >> 1462342690.09557509 Normalize (0.28219s) started
T01 << 1462342690.09661102 Normalize (0.28323s) stopped
T01 >> 1462342690.09664392 Mix (31.92378s) started
T01 << 1462342690.21797109 Mix (32.04511s) stopped
T01 << 1462342690.21803808 Density (569.67586s) stopped
T01 >> 1462342690.21811295 Hamiltonian (6439.59078s) started
T01 >> 1462342690.21813297 vbar (3.41265s) started
T01 << 1462342690.23428297 vbar (3.42880s) stopped
T01 >> 1462342690.23434901 XC 3D grid (2791.76642s) started
T01 >> 1462342690.40641189 van der Waals (2693.69178s) started
T01 >> 1462342690.45177889 semilocal (612.89168s) started
T01 << 1462342692.67519212 semilocal (615.11509s) stopped
T01 >> 1462342692.70721197 redistribute (307.45149s) started
T01 << 1462342693.09647703 redistribute (307.84075s) stopped
T01 >> 1462342693.09654498 libvdwxc nonlocal (1752.96982s) started
T01 << 1462342699.78695107 libvdwxc nonlocal (1759.66022s) stopped
T01 >> 1462342699.78703690 redistribute (307.84079s) started
T01 << 1462342700.44022012 redistribute (308.49397s) stopped
T01 << 1462342700.44161201 van der Waals (2703.72698s) stopped
T01 << 1462342700.62391901 XC 3D grid (2802.15599s) stopped
T01 >> 1462342700.62396789 Poisson (592.16870s) started
T01 << 1462342702.99109507 Poisson (594.53582s) stopped
T01 >> 1462342702.99116492 Hartree integrate/restrict (22.00463s) started
T01 << 1462342703.01006198 Hartree integrate/restrict (22.02353s) stopped
T01 >> 1462342703.01013207 Hartree integrate/restrict (22.02358s) started
T01 << 1462342703.07831192 Hartree integrate/restrict (22.09176s) stopped
T01 >> 1462342703.09354496 Atomic (1715.15755s) started
T01 >> 1462342703.10387897 XC Correction (1711.68559s) started
T01 << 1462342709.57464790 XC Correction (1718.15636s) stopped
T01 << 1462342709.57777190 Atomic (1721.64177s) stopped
T01 >> 1462342709.57791209 Communicate (1309.01037s) started
T01 << 1462342714.63777804 Communicate (1314.07023s) stopped
T01 << 1462342714.63780594 Hamiltonian (6464.01047s) stopped
T01 >> 1462342714.63789892 LCAO eigensolver (2313.59569s) started
T01 >> 1462342714.63791203 Potential matrix (73.62136s) started
T01 << 1462342714.89884996 Potential matrix (73.88229s) stopped
T01 >> 1462342714.89892292 DistributedAtomicCorrection (383.49968s) started
T01 << 1462342716.20479894 DistributedAtomicCorrection (384.80555s) stopped
T01 >> 1462342716.20486903 Distribute overlap matrix (334.65935s) started
T01 >> 1462342716.20489097 blocked summation (317.47588s) started
T01 << 1462342717.27651310 blocked summation (318.54750s) stopped
T01 >> 1462342717.27880192 Scalapack redistribute (16.77966s) started
T01 << 1462342717.33844805 Scalapack redistribute (16.83931s) stopped
T01 << 1462342717.33852506 Distribute overlap matrix (335.79300s) stopped
T01 >> 1462342717.33913398 Blacs Orbital Layouts (791.65016s) started
T01 >> 1462342717.34067512 General diagonalize (775.98147s) started
T01 << 1462342720.04806995 General diagonalize (778.68887s) stopped
T01 >> 1462342720.04813194 Redistribute coefs (0.80967s) started
T01 << 1462342720.05134296 Redistribute coefs (0.81288s) stopped
T01 >> 1462342720.05138993 Send coefs to domains (14.43804s) started
T01 << 1462342720.10130906 Send coefs to domains (14.48796s) stopped
T01 << 1462342720.10161805 Blacs Orbital Layouts (794.41265s) stopped
T01 >> 1462342720.10167098 Calculate projections (729.92475s) started
T01 << 1462342722.60328507 Calculate projections (732.42636s) stopped
T01 << 1462342722.60371995 LCAO eigensolver (2321.56151s) stopped
T01 >> 1462342722.60444999 Density (569.67587s) started
T01 >> 1462342722.60446310 Pseudo density (470.95389s) started
T01 >> 1462342722.60490704 Calculate density matrix (423.78750s) started
T01 << 1462342724.16847110 Calculate density matrix (425.35107s) stopped
T01 >> 1462342724.16856003 Construct density (46.52404s) started
T01 << 1462342724.34285593 Construct density (46.69834s) stopped
T01 >> 1462342724.34517694 Symmetrize density (0.01168s) started
T01 << 1462342724.34520888 Symmetrize density (0.01171s) stopped
T01 << 1462342724.34564304 Pseudo density (472.69507s) stopped
T01 >> 1462342724.34566498 Atomic density matrices (65.31868s) started
T01 << 1462342724.58006907 Atomic density matrices (65.55309s) stopped
T01 >> 1462342724.58010888 Multipole moments (1.05721s) started
T01 << 1462342724.58397698 Multipole moments (1.06107s) stopped
T01 >> 1462342724.58400011 Normalize (0.28325s) started
T01 << 1462342724.58504295 Normalize (0.28429s) stopped
T01 >> 1462342724.58507800 Mix (32.04517s) started
T01 << 1462342724.70373201 Mix (32.16383s) stopped
T01 << 1462342724.70381808 Density (571.77524s) stopped
T01 >> 1462342724.70389295 Hamiltonian (6464.01049s) started
T01 >> 1462342724.70391107 vbar (3.42884s) started
T01 << 1462342724.72086096 vbar (3.44579s) stopped
T01 >> 1462342724.72098303 XC 3D grid (2802.15602s) started
T01 >> 1462342724.89495206 van der Waals (2703.72707s) started
T01 >> 1462342724.93991590 semilocal (615.11516s) started
T01 << 1462342727.17231393 semilocal (617.34756s) stopped
T01 >> 1462342727.20505691 redistribute (308.49410s) started
T01 << 1462342727.59330010 redistribute (308.88234s) stopped
T01 >> 1462342727.59336495 libvdwxc nonlocal (1759.66028s) started
T01 << 1462342734.27740502 libvdwxc nonlocal (1766.34432s) stopped
T01 >> 1462342734.27748704 redistribute (308.88238s) started
T01 << 1462342734.93218088 redistribute (309.53707s) stopped
T01 << 1462342734.93369603 van der Waals (2713.76581s) stopped
T01 << 1462342735.10528493 XC 3D grid (2812.54033s) stopped
T01 >> 1462342735.10535407 Poisson (594.53588s) started
T01 << 1462342736.89045095 Poisson (596.32097s) stopped
T01 >> 1462342736.89057803 Hartree integrate/restrict (22.09179s) started
T01 << 1462342736.90936494 Hartree integrate/restrict (22.11058s) stopped
T01 >> 1462342736.90948200 Hartree integrate/restrict (22.11066s) started
T01 << 1462342736.97207594 Hartree integrate/restrict (22.17325s) stopped
T01 >> 1462342736.98955488 Atomic (1721.64179s) started
T01 >> 1462342736.99996209 XC Correction (1718.15639s) started
T01 << 1462342743.33302903 XC Correction (1724.48946s) stopped
T01 << 1462342743.33615708 Atomic (1727.98839s) stopped
T01 >> 1462342743.33629704 Communicate (1314.07025s) started
T01 << 1462342748.24950695 Communicate (1318.98346s) stopped
T01 << 1462342748.24953604 Hamiltonian (6487.55613s) stopped
T01 >> 1462342748.24963307 LCAO eigensolver (2321.56153s) started
T01 >> 1462342748.24964809 Potential matrix (73.88233s) started
T01 << 1462342748.50700092 Potential matrix (74.13968s) stopped
T01 >> 1462342748.50707603 DistributedAtomicCorrection (384.80559s) started
T01 << 1462342749.81284904 DistributedAtomicCorrection (386.11136s) stopped
T01 >> 1462342749.81291795 Distribute overlap matrix (335.79302s) started
T01 >> 1462342749.81293988 blocked summation (318.54754s) started
T01 << 1462342750.88310289 blocked summation (319.61771s) stopped
T01 >> 1462342750.88463902 Scalapack redistribute (16.83934s) started
T01 << 1462342750.94526005 Scalapack redistribute (16.89996s) stopped
T01 << 1462342750.94533706 Distribute overlap matrix (336.92544s) stopped
T01 >> 1462342750.94593191 Blacs Orbital Layouts (794.41266s) started
T01 >> 1462342750.94806695 General diagonalize (778.68891s) started
T01 << 1462342753.64531589 General diagonalize (781.38616s) stopped
T01 >> 1462342753.64537811 Redistribute coefs (0.81292s) started
T01 << 1462342753.64867997 Redistribute coefs (0.81622s) stopped
T01 >> 1462342753.64872599 Send coefs to domains (14.48800s) started
T01 << 1462342753.69878697 Send coefs to domains (14.53806s) stopped
T01 << 1462342753.69927907 Blacs Orbital Layouts (797.16601s) stopped
T01 >> 1462342753.69932890 Calculate projections (732.42641s) started
T01 << 1462342756.20095491 Calculate projections (734.92804s) stopped
T01 << 1462342756.20123100 LCAO eigensolver (2329.51313s) stopped
T01 >> 1462342756.20197201 Density (571.77526s) started
T01 >> 1462342756.20198393 Pseudo density (472.69508s) started
T01 >> 1462342756.20242405 Calculate density matrix (425.35111s) started
T01 << 1462342757.76661301 Calculate density matrix (426.91530s) stopped
T01 >> 1462342757.76670694 Construct density (46.69838s) started
T01 << 1462342757.94050097 Construct density (46.87217s) stopped
T01 >> 1462342757.94282389 Symmetrize density (0.01172s) started
T01 << 1462342757.94285703 Symmetrize density (0.01175s) stopped
T01 << 1462342757.94329000 Pseudo density (474.43639s) stopped
T01 >> 1462342757.94331002 Atomic density matrices (65.55312s) started
T01 << 1462342758.18003201 Atomic density matrices (65.78984s) stopped
T01 >> 1462342758.18007302 Multipole moments (1.06109s) started
T01 << 1462342758.18398690 Multipole moments (1.06500s) stopped
T01 >> 1462342758.18401003 Normalize (0.28432s) started
T01 << 1462342758.18506598 Normalize (0.28537s) stopped
T01 >> 1462342758.18510103 Mix (32.16391s) started
T01 << 1462342758.30387092 Mix (32.28268s) stopped
T01 << 1462342758.30395794 Density (573.87724s) stopped
T01 >> 1462342758.30403495 Hamiltonian (6487.55614s) started
T01 >> 1462342758.30405402 vbar (3.44586s) started
T01 << 1462342758.32090592 vbar (3.46271s) stopped
T01 >> 1462342758.32101297 XC 3D grid (2812.54038s) started
T01 >> 1462342758.49428606 van der Waals (2713.76587s) started
T01 >> 1462342758.53920507 semilocal (617.34767s) started
T01 << 1462342760.75670290 semilocal (619.56517s) stopped
T01 >> 1462342760.79093289 redistribute (309.53719s) started
T01 << 1462342761.18940210 redistribute (309.93566s) stopped
T01 >> 1462342761.18947005 libvdwxc nonlocal (1766.34438s) started
T01 << 1462342767.88378406 libvdwxc nonlocal (1773.03869s) stopped
T01 >> 1462342767.88386703 redistribute (309.93570s) started
T01 << 1462342768.53048706 redistribute (310.58232s) stopped
T01 << 1462342768.53171110 van der Waals (2723.80330s) stopped
T01 << 1462342768.71431398 XC 3D grid (2822.93368s) stopped
T01 >> 1462342768.71436501 Poisson (596.32107s) started
T01 << 1462342770.49534607 Poisson (598.10205s) stopped
T01 >> 1462342770.49542499 Hartree integrate/restrict (22.17330s) started
T01 << 1462342770.51437306 Hartree integrate/restrict (22.19224s) stopped
T01 >> 1462342770.51443005 Hartree integrate/restrict (22.19228s) started
T01 << 1462342770.57736707 Hartree integrate/restrict (22.25522s) stopped
T01 >> 1462342770.59633303 Atomic (1727.98841s) started
T01 >> 1462342770.60680199 XC Correction (1724.48948s) started
T01 << 1462342776.89489603 XC Correction (1730.77757s) stopped
T01 << 1462342776.89805508 Atomic (1734.29013s) stopped
T01 >> 1462342776.89819598 Communicate (1318.98348s) started
T01 << 1462342781.79534888 Communicate (1323.88063s) stopped
T01 << 1462342781.79537702 Hamiltonian (6511.04748s) stopped
T01 >> 1462342781.79547310 LCAO eigensolver (2329.51315s) started
T01 >> 1462342781.79548597 Potential matrix (74.13972s) started
T01 << 1462342782.05440402 Potential matrix (74.39864s) stopped
T01 >> 1462342782.05447793 DistributedAtomicCorrection (386.11140s) started
T01 << 1462342783.35023403 DistributedAtomicCorrection (387.40715s) stopped
T01 >> 1462342783.35030198 Distribute overlap matrix (336.92545s) started
T01 >> 1462342783.35032606 blocked summation (319.61775s) started
T01 << 1462342784.43984699 blocked summation (320.70727s) stopped
T01 >> 1462342784.44158292 Scalapack redistribute (16.90000s) started
T01 << 1462342784.50296092 Scalapack redistribute (16.96138s) stopped
T01 << 1462342784.50303602 Distribute overlap matrix (338.07818s) stopped
T01 >> 1462342784.50362492 Blacs Orbital Layouts (797.16603s) started
T01 >> 1462342784.50499105 General diagonalize (781.38619s) started
T01 << 1462342787.19681096 General diagonalize (784.07801s) stopped
T01 >> 1462342787.19686103 Redistribute coefs (0.81625s) started
T01 << 1462342787.20073199 Redistribute coefs (0.82012s) stopped
T01 >> 1462342787.20077991 Send coefs to domains (14.53810s) started
T01 << 1462342787.25004506 Send coefs to domains (14.58737s) stopped
T01 << 1462342787.25039506 Blacs Orbital Layouts (799.91280s) stopped
T01 >> 1462342787.25044703 Calculate projections (734.92810s) started
T01 << 1462342789.75217104 Calculate projections (737.42982s) stopped
T01 << 1462342789.75244308 LCAO eigensolver (2337.47012s) stopped
T01 >> 1462342789.75315809 Density (573.87726s) started
T01 >> 1462342789.75317097 Pseudo density (474.43640s) started
T01 >> 1462342789.75360894 Calculate density matrix (426.91534s) started
T01 << 1462342791.31186604 Calculate density matrix (428.47360s) stopped
T01 >> 1462342791.31195998 Construct density (46.87221s) started
T01 << 1462342791.48577690 Construct density (47.04603s) stopped
T01 >> 1462342791.48723292 Symmetrize density (0.01177s) started
T01 << 1462342791.48726511 Symmetrize density (0.01180s) stopped
T01 << 1462342791.48771405 Pseudo density (476.17095s) stopped
T01 >> 1462342791.48773289 Atomic density matrices (65.78987s) started
T01 << 1462342791.72462106 Atomic density matrices (66.02675s) stopped
T01 >> 1462342791.72466493 Multipole moments (1.06502s) started
T01 << 1462342791.72859192 Multipole moments (1.06895s) stopped
T01 >> 1462342791.72861600 Normalize (0.28540s) started
T01 << 1462342791.72965193 Normalize (0.28643s) stopped
T01 >> 1462342791.72969103 Mix (32.28276s) started
T01 << 1462342791.85114908 Mix (32.40422s) stopped
T01 << 1462342791.85124898 Density (575.97535s) stopped
T01 >> 1462342791.85133410 Hamiltonian (6511.04750s) started
T01 >> 1462342791.85135508 vbar (3.46277s) started
T01 << 1462342791.86707902 vbar (3.47849s) stopped
T01 >> 1462342791.86717606 XC 3D grid (2822.93372s) started
T01 >> 1462342792.03871608 van der Waals (2723.80334s) started
T01 >> 1462342792.08331895 semilocal (619.56527s) started
T01 << 1462342794.30670404 semilocal (621.78865s) stopped
T01 >> 1462342794.33932710 redistribute (310.58236s) started
T01 << 1462342794.72761297 redistribute (310.97065s) stopped
T01 >> 1462342794.72768402 libvdwxc nonlocal (1773.03874s) started
T01 << 1462342801.43677592 libvdwxc nonlocal (1779.74784s) stopped
T01 >> 1462342801.43685794 redistribute (310.97069s) started
T01 << 1462342802.07925606 redistribute (311.61309s) stopped
T01 << 1462342802.08042789 van der Waals (2733.84505s) stopped
T01 << 1462342802.25977397 XC 3D grid (2833.32632s) stopped
T01 >> 1462342802.25982499 Poisson (598.10211s) started
T01 << 1462342804.04308009 Poisson (599.88537s) stopped
T01 >> 1462342804.04315400 Hartree integrate/restrict (22.25526s) started
T01 << 1462342804.06210089 Hartree integrate/restrict (22.27420s) stopped
T01 >> 1462342804.06216311 Hartree integrate/restrict (22.27425s) started
T01 << 1462342804.12401009 Hartree integrate/restrict (22.33609s) stopped
T01 >> 1462342804.14098692 Atomic (1734.29015s) started
T01 >> 1462342804.15141702 XC Correction (1730.77760s) started
T01 << 1462342810.43331409 XC Correction (1737.05949s) stopped
T01 << 1462342810.43646312 Atomic (1740.58563s) stopped
T01 >> 1462342810.43660808 Communicate (1323.88065s) started
T01 << 1462342815.18966794 Communicate (1328.63371s) stopped
T01 << 1462342815.18969607 Hamiltonian (6534.38586s) stopped
T01 >> 1462342815.18979406 LCAO eigensolver (2337.47013s) started
T01 >> 1462342815.18980694 Potential matrix (74.39868s) started
T01 << 1462342815.45042706 Potential matrix (74.65930s) stopped
T01 >> 1462342815.45050001 DistributedAtomicCorrection (387.40719s) started
T01 << 1462342816.73845506 DistributedAtomicCorrection (388.69515s) stopped
T01 >> 1462342816.73852301 Distribute overlap matrix (338.07819s) started
T01 >> 1462342816.73854589 blocked summation (320.70731s) started
T01 << 1462342817.83574510 blocked summation (321.80451s) stopped
T01 >> 1462342817.83792400 Scalapack redistribute (16.96142s) started
T01 << 1462342817.89699507 Scalapack redistribute (17.02049s) stopped
T01 << 1462342817.89706898 Distribute overlap matrix (339.23674s) stopped
T01 >> 1462342817.89767599 Blacs Orbital Layouts (799.91282s) started
T01 >> 1462342817.89921594 General diagonalize (784.07805s) started
T01 << 1462342820.60500312 General diagonalize (786.78384s) stopped
T01 >> 1462342820.60506511 Redistribute coefs (0.82016s) started
T01 << 1462342820.60780811 Redistribute coefs (0.82291s) stopped
T01 >> 1462342820.60785389 Send coefs to domains (14.58741s) started
T01 << 1462342820.65898108 Send coefs to domains (14.63854s) stopped
T01 << 1462342820.65927410 Blacs Orbital Layouts (802.67442s) stopped
T01 >> 1462342820.65933108 Calculate projections (737.42987s) started
T01 << 1462342823.16147399 Calculate projections (739.93202s) stopped
T01 << 1462342823.16191506 LCAO eigensolver (2345.44226s) stopped
T01 >> 1462342823.16265297 Density (575.97537s) started
T01 >> 1462342823.16267109 Pseudo density (476.17096s) started
T01 >> 1462342823.16311097 Calculate density matrix (428.47364s) started
T01 << 1462342824.71810007 Calculate density matrix (430.02863s) stopped
T01 >> 1462342824.71819210 Construct density (47.04606s) started
T01 << 1462342824.89244008 Construct density (47.22031s) stopped
T01 >> 1462342824.89388800 Symmetrize density (0.01181s) started
T01 << 1462342824.89391994 Symmetrize density (0.01184s) stopped
T01 << 1462342824.89435601 Pseudo density (477.90265s) stopped
T01 >> 1462342824.89437509 Atomic density matrices (66.02678s) started
T01 << 1462342825.13044405 Atomic density matrices (66.26285s) stopped
T01 >> 1462342825.13048506 Multipole moments (1.06896s) started
T01 << 1462342825.13439488 Multipole moments (1.07287s) stopped
T01 >> 1462342825.13441706 Normalize (0.28646s) started
T01 << 1462342825.13547897 Normalize (0.28752s) stopped
T01 >> 1462342825.13551307 Mix (32.40432s) started
T01 << 1462342825.25361896 Mix (32.52242s) stopped
T01 << 1462342825.25371695 Density (578.06643s) stopped
T01 >> 1462342825.25379705 Hamiltonian (6534.38587s) started
T01 >> 1462342825.25381494 vbar (3.47855s) started
T01 << 1462342825.27093506 vbar (3.49567s) stopped
T01 >> 1462342825.27105689 XC 3D grid (2833.32636s) started
T01 >> 1462342825.44339108 van der Waals (2733.84509s) started
T01 >> 1462342825.48832893 semilocal (621.78876s) started
T01 << 1462342827.71015310 semilocal (624.01058s) stopped
T01 >> 1462342827.74391294 redistribute (311.61313s) started
T01 << 1462342828.12574005 redistribute (311.99495s) stopped
T01 >> 1462342828.12580800 libvdwxc nonlocal (1779.74789s) started
T01 << 1462342834.83191395 libvdwxc nonlocal (1786.45400s) stopped
T01 >> 1462342834.83199096 redistribute (311.99499s) started
T01 << 1462342835.47356105 redistribute (312.63656s) stopped
T01 << 1462342835.47472692 van der Waals (2743.87642s) stopped
T01 << 1462342835.65588808 XC 3D grid (2843.71119s) stopped
T01 >> 1462342835.65594506 Poisson (599.88542s) started
T01 << 1462342837.44078588 Poisson (601.67026s) stopped
T01 >> 1462342837.44090700 Hartree integrate/restrict (22.33613s) started
T01 << 1462342837.45972610 Hartree integrate/restrict (22.35495s) stopped
T01 >> 1462342837.45983505 Hartree integrate/restrict (22.35503s) started
T01 << 1462342837.52230692 Hartree integrate/restrict (22.41750s) stopped
T01 >> 1462342837.53977704 Atomic (1740.58564s) started
T01 >> 1462342837.55018497 XC Correction (1737.05952s) started
T01 << 1462342843.86108804 XC Correction (1743.37042s) stopped
T01 << 1462342843.86424589 Atomic (1746.91011s) stopped
T01 >> 1462342843.86438990 Communicate (1328.63373s) started
T01 << 1462342848.60057306 Communicate (1333.36992s) stopped
T01 << 1462342848.60060811 Hamiltonian (6557.73268s) stopped
T01 >> 1462342848.60073400 LCAO eigensolver (2345.44227s) started
T01 >> 1462342848.60074902 Potential matrix (74.65934s) started
T01 << 1462342848.85933590 Potential matrix (74.91793s) stopped
T01 >> 1462342848.85941005 DistributedAtomicCorrection (388.69518s) started
T01 << 1462342850.14302206 DistributedAtomicCorrection (389.97879s) stopped
T01 >> 1462342850.14309001 Distribute overlap matrix (339.23675s) started
T01 >> 1462342850.14311194 blocked summation (321.80454s) started
T01 << 1462342851.24374390 blocked summation (322.90518s) stopped
T01 >> 1462342851.24570990 Scalapack redistribute (17.02052s) started
T01 << 1462342851.30665708 Scalapack redistribute (17.08147s) stopped
T01 << 1462342851.30673695 Distribute overlap matrix (340.40040s) stopped
T01 >> 1462342851.30732894 Blacs Orbital Layouts (802.67443s) started
T01 >> 1462342851.30949092 General diagonalize (786.78388s) started
T01 << 1462342854.00694299 General diagonalize (789.48133s) stopped
T01 >> 1462342854.00700498 Redistribute coefs (0.82294s) started
T01 << 1462342854.00965500 Redistribute coefs (0.82559s) stopped
T01 >> 1462342854.00970507 Send coefs to domains (14.63858s) started
T01 << 1462342854.06038690 Send coefs to domains (14.68926s) stopped
T01 << 1462342854.06089807 Blacs Orbital Layouts (805.42800s) stopped
T01 >> 1462342854.06094790 Calculate projections (739.93207s) started
T01 << 1462342856.56260705 Calculate projections (742.43373s) stopped
T01 << 1462342856.56288695 LCAO eigensolver (2353.40443s) stopped
T01 >> 1462342856.56361890 Density (578.06645s) started
T01 >> 1462342856.56363201 Pseudo density (477.90266s) started
T01 >> 1462342856.56407499 Calculate density matrix (430.02868s) started
T01 << 1462342858.12511492 Calculate density matrix (431.58972s) stopped
T01 >> 1462342858.12520504 Construct density (47.22035s) started
T01 << 1462342858.29909706 Construct density (47.39424s) stopped
T01 >> 1462342858.30054808 Symmetrize density (0.01185s) started
T01 << 1462342858.30058002 Symmetrize density (0.01188s) stopped
T01 << 1462342858.30102110 Pseudo density (479.64005s) stopped
T01 >> 1462342858.30103993 Atomic density matrices (66.26288s) started
T01 << 1462342858.53734803 Atomic density matrices (66.49919s) stopped
T01 >> 1462342858.53738809 Multipole moments (1.07289s) started
T01 << 1462342858.54129601 Multipole moments (1.07679s) stopped
T01 >> 1462342858.54131794 Normalize (0.28755s) started
T01 << 1462342858.54236197 Normalize (0.28859s) stopped
T01 >> 1462342858.54239702 Mix (32.52252s) started
T01 << 1462342858.66222906 Mix (32.64235s) stopped
T01 << 1462342858.66230893 Density (580.16514s) stopped
T01 >> 1462342858.66239309 Hamiltonian (6557.73270s) started
T01 >> 1462342858.66241288 vbar (3.49574s) started
T01 << 1462342858.67916203 vbar (3.51249s) stopped
T01 >> 1462342858.67924190 XC 3D grid (2843.71123s) started
T01 >> 1462342858.85305095 van der Waals (2743.87646s) started
T01 >> 1462342858.89851904 semilocal (624.01065s) started
T01 << 1462342861.11278296 semilocal (626.22492s) stopped
T01 >> 1462342861.14611697 redistribute (312.63661s) started
T01 << 1462342861.54241395 redistribute (313.03291s) stopped
T01 >> 1462342861.54248190 libvdwxc nonlocal (1786.45405s) started
T01 << 1462342868.24396610 libvdwxc nonlocal (1793.15553s) stopped
T01 >> 1462342868.24402690 redistribute (313.03294s) started
T01 << 1462342868.88660097 redistribute (313.67552s) stopped
T01 << 1462342868.88783908 van der Waals (2753.91125s) stopped
T01 << 1462342869.06592703 XC 3D grid (2854.09792s) stopped
T01 >> 1462342869.06597805 Poisson (601.67035s) started
T01 << 1462342870.84853292 Poisson (603.45291s) stopped
T01 >> 1462342870.84859991 Hartree integrate/restrict (22.41753s) started
T01 << 1462342870.86749101 Hartree integrate/restrict (22.43643s) stopped
T01 >> 1462342870.86754608 Hartree integrate/restrict (22.43646s) started
T01 << 1462342870.92979693 Hartree integrate/restrict (22.49871s) stopped
T01 >> 1462342870.95108199 Atomic (1746.91013s) started
T01 >> 1462342870.96140194 XC Correction (1743.37044s) started
T01 << 1462342877.29203391 XC Correction (1749.70108s) stopped
T01 << 1462342877.29517007 Atomic (1753.25422s) stopped
T01 >> 1462342877.29531407 Communicate (1333.36994s) started
T01 << 1462342882.09358406 Communicate (1338.16821s) stopped
T01 << 1462342882.09361506 Hamiltonian (6581.16392s) stopped
T01 >> 1462342882.09371400 LCAO eigensolver (2353.40445s) started
T01 >> 1462342882.09372807 Potential matrix (74.91797s) started
T01 << 1462342882.35118699 Potential matrix (75.17543s) stopped
T01 >> 1462342882.35126305 DistributedAtomicCorrection (389.97883s) started
T01 << 1462342883.63528490 DistributedAtomicCorrection (391.26285s) stopped
T01 >> 1462342883.63535309 Distribute overlap matrix (340.40041s) started
T01 >> 1462342883.63537502 blocked summation (322.90522s) started
T01 << 1462342884.74476194 blocked summation (324.01460s) stopped
T01 >> 1462342884.74635196 Scalapack redistribute (17.08151s) started
T01 << 1462342884.80694199 Scalapack redistribute (17.14210s) stopped
T01 << 1462342884.80701995 Distribute overlap matrix (341.57208s) stopped
T01 >> 1462342884.80760098 Blacs Orbital Layouts (805.42802s) started
T01 >> 1462342884.80896497 General diagonalize (789.48137s) started
T01 << 1462342887.49352002 General diagonalize (792.16592s) stopped
T01 >> 1462342887.49358201 Redistribute coefs (0.82563s) started
T01 << 1462342887.49739790 Redistribute coefs (0.82945s) stopped
T01 >> 1462342887.49744511 Send coefs to domains (14.68930s) started
T01 << 1462342887.54711294 Send coefs to domains (14.73897s) stopped
T01 << 1462342887.54746103 Blacs Orbital Layouts (808.16788s) stopped
T01 >> 1462342887.54751492 Calculate projections (742.43379s) started
T01 << 1462342890.04918408 Calculate projections (744.93546s) stopped
T01 << 1462342890.04926300 LCAO eigensolver (2361.36000s) stopped
T01 >> 1462342890.04998803 Density (580.16516s) started
T01 >> 1462342890.05000091 Pseudo density (479.64006s) started
T01 >> 1462342890.05044103 Calculate density matrix (431.58976s) started
T01 << 1462342891.61377907 Calculate density matrix (433.15310s) stopped
T01 >> 1462342891.61386895 Construct density (47.39428s) started
T01 << 1462342891.78764391 Construct density (47.56806s) stopped
T01 >> 1462342891.78909111 Symmetrize density (0.01190s) started
T01 << 1462342891.78912210 Symmetrize density (0.01193s) stopped
T01 << 1462342891.78955889 Pseudo density (481.37962s) stopped
T01 >> 1462342891.78957891 Atomic density matrices (66.49922s) started
T01 << 1462342892.02623010 Atomic density matrices (66.73587s) stopped
T01 >> 1462342892.02627206 Multipole moments (1.07681s) started
T01 << 1462342892.03018594 Multipole moments (1.08072s) stopped
T01 >> 1462342892.03021002 Normalize (0.28862s) started
T01 << 1462342892.03126502 Normalize (0.28967s) stopped
T01 >> 1462342892.03129911 Mix (32.64243s) started
T01 << 1462342892.15208507 Mix (32.76321s) stopped
T01 << 1462342892.15213799 Density (582.26731s) stopped
T01 >> 1462342892.15220809 Hamiltonian (6581.16393s) started
T01 >> 1462342892.15222692 vbar (3.51254s) started
T01 << 1462342892.16856503 vbar (3.52888s) stopped
T01 >> 1462342892.16862392 XC 3D grid (2854.09796s) started
T01 >> 1462342892.34124303 van der Waals (2753.91129s) started
T01 >> 1462342892.38542604 semilocal (626.22505s) started
T01 << 1462342894.61381006 semilocal (628.45343s) stopped
T01 >> 1462342894.64580107 redistribute (313.67556s) started
T01 << 1462342895.02994800 redistribute (314.05971s) stopped
T01 >> 1462342895.03001595 libvdwxc nonlocal (1793.15557s) started
T01 << 1462342901.70430589 libvdwxc nonlocal (1799.82986s) stopped
T01 >> 1462342901.70438194 redistribute (314.05975s) started
T01 << 1462342902.35835195 redistribute (314.71372s) stopped
T01 << 1462342902.35970402 van der Waals (2763.92975s) stopped
T01 << 1462342902.54108810 XC 3D grid (2864.47042s) stopped
T01 >> 1462342902.54113793 Poisson (603.45296s) started
T01 << 1462342903.74495792 Poisson (604.65678s) stopped
T01 >> 1462342903.74504590 Hartree integrate/restrict (22.49875s) started
T01 << 1462342903.76385689 Hartree integrate/restrict (22.51756s) stopped
T01 >> 1462342903.76391912 Hartree integrate/restrict (22.51760s) started
T01 << 1462342903.82616091 Hartree integrate/restrict (22.57984s) stopped
T01 >> 1462342903.84321094 Atomic (1753.25424s) started
T01 >> 1462342903.85341406 XC Correction (1749.70110s) started
T01 << 1462342910.18120694 XC Correction (1756.02889s) stopped
T01 << 1462342910.18429708 Atomic (1759.59532s) stopped
T01 >> 1462342910.18444300 Communicate (1338.16823s) started
T01 << 1462342915.04679894 Communicate (1343.03058s) stopped
T01 << 1462342915.04682899 Hamiltonian (6604.05855s) stopped
T01 >> 1462342915.04692101 LCAO eigensolver (2361.36001s) started
T01 >> 1462342915.04696608 Potential matrix (75.17547s) started
T01 << 1462342915.30847311 Potential matrix (75.43698s) stopped
T01 >> 1462342915.30854893 DistributedAtomicCorrection (391.26289s) started
T01 << 1462342916.59660101 DistributedAtomicCorrection (392.55094s) stopped
T01 >> 1462342916.59667206 Distribute overlap matrix (341.57209s) started
T01 >> 1462342916.59669495 blocked summation (324.01465s) started
T01 << 1462342917.70378208 blocked summation (325.12173s) stopped
T01 >> 1462342917.70606208 Scalapack redistribute (17.14214s) started
T01 << 1462342917.76381898 Scalapack redistribute (17.19989s) stopped
T01 << 1462342917.76389289 Distribute overlap matrix (342.73931s) stopped
T01 >> 1462342917.76449394 Blacs Orbital Layouts (808.16790s) started
T01 >> 1462342917.76603603 General diagonalize (792.16596s) started
T01 << 1462342920.47140002 General diagonalize (794.87132s) stopped
T01 >> 1462342920.47146201 Redistribute coefs (0.82948s) started
T01 << 1462342920.47470498 Redistribute coefs (0.83273s) stopped
T01 >> 1462342920.47475290 Send coefs to domains (14.73901s) started
T01 << 1462342920.52437091 Send coefs to domains (14.78863s) stopped
T01 << 1462342920.52469492 Blacs Orbital Layouts (810.92810s) stopped
T01 >> 1462342920.52474904 Calculate projections (744.93551s) started
T01 << 1462342923.02653909 Calculate projections (747.43730s) stopped
T01 << 1462342923.02697706 LCAO eigensolver (2369.34006s) stopped
T01 >> 1462342923.02771211 Density (582.26732s) started
T01 >> 1462342923.02772593 Pseudo density (481.37964s) started
T01 >> 1462342923.02816606 Calculate density matrix (433.15315s) started
T01 << 1462342924.59813190 Calculate density matrix (434.72311s) stopped
T01 >> 1462342924.59821606 Construct density (47.56810s) started
T01 << 1462342924.77258205 Construct density (47.74247s) stopped
T01 >> 1462342924.77489805 Symmetrize density (0.01194s) started
T01 << 1462342924.77493095 Symmetrize density (0.01197s) stopped
T01 << 1462342924.77536511 Pseudo density (483.12727s) stopped
T01 >> 1462342924.77538490 Atomic density matrices (66.73590s) started
T01 << 1462342925.01114297 Atomic density matrices (66.97165s) stopped
T01 >> 1462342925.01118302 Multipole moments (1.08074s) started
T01 << 1462342925.01508188 Multipole moments (1.08464s) stopped
T01 >> 1462342925.01510501 Normalize (0.28970s) started
T01 << 1462342925.01614904 Normalize (0.29074s) stopped
T01 >> 1462342925.01618505 Mix (32.76326s) started
T01 << 1462342925.13353491 Mix (32.88061s) stopped
T01 << 1462342925.13357997 Density (584.37319s) stopped
T01 >> 1462342925.13365293 Hamiltonian (6604.05856s) started
T01 >> 1462342925.13367796 vbar (3.52891s) started
T01 << 1462342925.15083504 vbar (3.54607s) stopped
T01 >> 1462342925.15090704 XC 3D grid (2864.47046s) started
T01 >> 1462342925.33198309 van der Waals (2763.92983s) started
T01 >> 1462342925.37541509 semilocal (628.45353s) started
T01 << 1462342927.60693693 semilocal (630.68505s) stopped
T01 >> 1462342927.63839793 redistribute (314.71379s) started
T01 << 1462342928.01442289 redistribute (315.08981s) stopped
T01 >> 1462342928.01448989 libvdwxc nonlocal (1799.82991s) started
T01 << 1462342934.69689298 libvdwxc nonlocal (1806.51231s) stopped
T01 >> 1462342934.69697189 redistribute (315.08985s) started
T01 << 1462342935.34421206 redistribute (315.73709s) stopped
T01 << 1462342935.34535599 van der Waals (2773.94320s) stopped
T01 << 1462342935.52741790 XC 3D grid (2874.84697s) stopped
T01 >> 1462342935.52748203 Poisson (604.65684s) started
T01 << 1462342937.30890894 Poisson (606.43827s) stopped
T01 >> 1462342937.30904007 Hartree integrate/restrict (22.57988s) started
T01 << 1462342937.32761407 Hartree integrate/restrict (22.59845s) stopped
T01 >> 1462342937.32775998 Hartree integrate/restrict (22.59855s) started
T01 << 1462342937.39052606 Hartree integrate/restrict (22.66132s) stopped
T01 >> 1462342937.40849304 Atomic (1759.59534s) started
T01 >> 1462342937.41879702 XC Correction (1756.02892s) started
T01 << 1462342943.72631001 XC Correction (1762.33643s) stopped
T01 << 1462342943.72942901 Atomic (1765.91627s) stopped
T01 >> 1462342943.72956800 Communicate (1343.03060s) started
T01 << 1462342948.63595605 Communicate (1347.93699s) stopped
T01 << 1462342948.63598394 Hamiltonian (6627.56090s) stopped
T01 >> 1462342948.63607788 LCAO eigensolver (2369.34008s) started
T01 >> 1462342948.63609290 Potential matrix (75.43701s) started
T01 << 1462342948.89397597 Potential matrix (75.69490s) stopped
T01 >> 1462342948.89404893 DistributedAtomicCorrection (392.55098s) started
T01 << 1462342950.18809795 DistributedAtomicCorrection (393.84503s) stopped
T01 >> 1462342950.18816495 Distribute overlap matrix (342.73932s) started
T01 >> 1462342950.18818808 blocked summation (325.12177s) started
T01 << 1462342951.28840995 blocked summation (326.22199s) stopped
T01 >> 1462342951.29013109 Scalapack redistribute (17.19993s) started
T01 << 1462342951.35268402 Scalapack redistribute (17.26248s) stopped
T01 << 1462342951.35276103 Distribute overlap matrix (343.90392s) stopped
T01 >> 1462342951.35335708 Blacs Orbital Layouts (810.92812s) started
T01 >> 1462342951.35559106 General diagonalize (794.87136s) started
T01 << 1462342954.06127501 General diagonalize (797.57705s) stopped
T01 >> 1462342954.06132388 Redistribute coefs (0.83276s) started
T01 << 1462342954.06468606 Redistribute coefs (0.83612s) stopped
T01 >> 1462342954.06473398 Send coefs to domains (14.78867s) started
T01 << 1462342954.11526608 Send coefs to domains (14.83920s) stopped
T01 << 1462342954.11580396 Blacs Orbital Layouts (813.69056s) stopped
T01 >> 1462342954.11585498 Calculate projections (747.43735s) started
T01 << 1462342956.61744690 Calculate projections (749.93895s) stopped
T01 << 1462342956.61773109 LCAO eigensolver (2377.32174s) stopped
T01 >> 1462342956.61845589 Density (584.37320s) started
T01 >> 1462342956.61846900 Pseudo density (483.12729s) started
T01 >> 1462342956.61890602 Calculate density matrix (434.72316s) started
T01 << 1462342958.18267488 Calculate density matrix (436.28692s) stopped
T01 >> 1462342958.18276000 Construct density (47.74250s) started
T01 << 1462342958.35659099 Construct density (47.91633s) stopped
T01 >> 1462342958.35803795 Symmetrize density (0.01198s) started
T01 << 1462342958.35806990 Symmetrize density (0.01202s) stopped
T01 << 1462342958.35850596 Pseudo density (484.86733s) stopped
T01 >> 1462342958.35852504 Atomic density matrices (66.97168s) started
T01 << 1462342958.59548998 Atomic density matrices (67.20865s) stopped
T01 >> 1462342958.59553099 Multipole moments (1.08465s) started
T01 << 1462342958.59937501 Multipole moments (1.08850s) stopped
T01 >> 1462342958.59939694 Normalize (0.29077s) started
T01 << 1462342958.60042095 Normalize (0.29179s) stopped
T01 >> 1462342958.60045695 Mix (32.88066s) started
T01 << 1462342958.71883392 Mix (32.99903s) stopped
T01 << 1462342958.71892810 Density (586.47367s) stopped
T01 >> 1462342958.71900702 Hamiltonian (6627.56091s) started
T01 >> 1462342958.71902609 vbar (3.54611s) started
T01 << 1462342958.73598099 vbar (3.56306s) stopped
T01 >> 1462342958.73608398 XC 3D grid (2874.84702s) started
T01 >> 1462342958.90867996 van der Waals (2773.94323s) started
T01 >> 1462342958.95365500 semilocal (630.68513s) started
T01 << 1462342961.17175508 semilocal (632.90323s) stopped
T01 >> 1462342961.20482898 redistribute (315.73713s) started
T01 << 1462342961.59415007 redistribute (316.12645s) stopped
T01 >> 1462342961.59421897 libvdwxc nonlocal (1806.51236s) started
T01 << 1462342968.26802802 libvdwxc nonlocal (1813.18617s) stopped
T01 >> 1462342968.26810503 redistribute (316.12649s) started
T01 << 1462342968.92448711 redistribute (316.78287s) stopped
T01 << 1462342968.92596292 van der Waals (2783.96051s) stopped
T01 << 1462342969.10384607 XC 3D grid (2885.21479s) stopped
T01 >> 1462342969.10389304 Poisson (606.43837s) started
T01 << 1462342970.30715394 Poisson (607.64163s) stopped
T01 >> 1462342970.30722499 Hartree integrate/restrict (22.66136s) started
T01 << 1462342970.32605290 Hartree integrate/restrict (22.68019s) stopped
T01 >> 1462342970.32610512 Hartree integrate/restrict (22.68022s) started
T01 << 1462342970.38864398 Hartree integrate/restrict (22.74276s) stopped
T01 >> 1462342970.40758491 Atomic (1765.91629s) started
T01 >> 1462342970.41817307 XC Correction (1762.33646s) started
T01 << 1462342976.73571801 XC Correction (1768.65400s) stopped
T01 << 1462342976.73888206 Atomic (1772.24759s) stopped
T01 >> 1462342976.73902702 Communicate (1347.93701s) started
T01 << 1462342981.45014811 Communicate (1352.64813s) stopped
T01 << 1462342981.45017791 Hamiltonian (6650.29208s) stopped
T01 >> 1462342981.45026708 LCAO eigensolver (2377.32176s) started
T01 >> 1462342981.45027995 Potential matrix (75.69494s) started
T01 << 1462342981.70795608 Potential matrix (75.95261s) stopped
T01 >> 1462342981.70802999 DistributedAtomicCorrection (393.84507s) started
T01 << 1462342982.99774003 DistributedAtomicCorrection (395.13478s) stopped
T01 >> 1462342982.99780798 Distribute overlap matrix (343.90393s) started
T01 >> 1462342982.99782991 blocked summation (326.22203s) started
T01 << 1462342984.08648205 blocked summation (327.31069s) stopped
T01 >> 1462342984.08819890 Scalapack redistribute (17.26252s) started
T01 << 1462342984.14677095 Scalapack redistribute (17.32109s) stopped
T01 << 1462342984.14684892 Distribute overlap matrix (345.05297s) stopped
T01 >> 1462342984.14744997 Blacs Orbital Layouts (813.69058s) started
T01 >> 1462342984.14879799 General diagonalize (797.57708s) started
T01 << 1462342986.84469795 General diagonalize (800.27298s) stopped
T01 >> 1462342986.84475994 Redistribute coefs (0.83616s) started
T01 << 1462342986.84845805 Redistribute coefs (0.83986s) stopped
T01 >> 1462342986.84850311 Send coefs to domains (14.83924s) started
T01 << 1462342986.89856005 Send coefs to domains (14.88930s) stopped
T01 << 1462342986.89892411 Blacs Orbital Layouts (816.44206s) stopped
T01 >> 1462342986.89897609 Calculate projections (749.93900s) started
T01 << 1462342989.40093493 Calculate projections (752.44096s) stopped
T01 << 1462342989.40121293 LCAO eigensolver (2385.27270s) stopped
T01 << 1462342989.40195203 SCF-cycle (9622.27681s) stopped
T01 >> 1462342990.26960611 Force calculation (376.53774s) started
T01 >> 1462342990.26966810 LCAO forces (241.39983s) started
T01 >> 1462342990.27001810 Initial (0.00029s) started
T01 << 1462342990.27002907 Initial (0.00030s) stopped
T01 >> 1462342990.27424502 Get density matrix (46.65154s) started
T01 << 1462342990.87591004 Get density matrix (47.25320s) stopped
T01 >> 1462342990.87599111 Potential (17.44719s) started
T01 << 1462342992.23452091 Potential (18.80572s) stopped
T01 >> 1462342992.23458695 Get density matrix (47.25324s) started
T01 << 1462342995.45022392 Get density matrix (50.46888s) stopped
T01 >> 1462342995.45036197 Prepare TCI loop (24.51503s) started
T01 >> 1462342995.45084596 Get neighbors (21.05750s) started
T01 << 1462342997.25282502 Get neighbors (22.85948s) stopped
T01 >> 1462342997.25305510 broadcast dH (3.44881s) started
T01 << 1462342997.32611990 broadcast dH (3.52187s) stopped
T01 << 1462342997.32616496 Prepare TCI loop (26.39084s) stopped
T01 >> 1462342997.32618189 Not so complicated loop (33.65712s) started
T01 << 1462343000.13767695 Not so complicated loop (36.46862s) stopped
T01 >> 1462343000.26430798 Complicated loop (117.55747s) started
T01 << 1462343009.75937891 Complicated loop (127.05255s) stopped
T01 >> 1462343009.77935696 Wait for sum (0.00067s) started
T01 << 1462343009.77940512 Wait for sum (0.00072s) stopped
T01 << 1462343009.77941895 LCAO forces (260.90958s) stopped
T01 << 1462343021.20806408 Force calculation (407.47620s) stopped
T01 >> 1462343021.22595000 Initialization (697.05867s) started
T01 << 1462343021.22614193 Initialization (697.05886s) stopped
T01 >> 1462343021.22637701 Initialization (697.05888s) started
T01 << 1462343021.22650599 Initialization (697.05901s) stopped
T01 >> 1462343021.22663689 Initialization (697.05902s) started
T01 << 1462343021.22676802 Initialization (697.05915s) stopped
T01 >> 1462343041.65544605 Initialization (697.05917s) started
T01 >> 1462343041.67808700 Basic WFS set positions (1.33772s) started
T01 >> 1462343041.67811394 Redistribute (0.03202s) started
T01 << 1462343041.67826200 Redistribute (0.03217s) stopped
T01 << 1462343041.77274799 Basic WFS set positions (1.43238s) stopped
T01 >> 1462343041.77277708 Basis functions set positions (5.92046s) started
T01 << 1462343042.17739010 Basis functions set positions (6.32508s) stopped
T01 >> 1462343042.17824888 TCI: Calculate S, T, P (206.21050s) started
T01 << 1462343057.08581996 TCI: Calculate S, T, P (221.11807s) stopped
T01 >> 1462343057.08590293 blocked summation (57.12092s) started
T01 << 1462343060.80546808 blocked summation (60.84049s) stopped
T01 >> 1462343060.80713892 Scalapack redistribute (2.84276s) started
T01 << 1462343060.86578798 Scalapack redistribute (2.90141s) stopped
T01 >> 1462343060.86613703 blocked summation (60.84054s) started
T01 << 1462343061.03595591 blocked summation (61.01036s) stopped
T01 >> 1462343061.03757691 Scalapack redistribute (2.90147s) started
T01 << 1462343061.23782301 Scalapack redistribute (3.10172s) stopped
T01 >> 1462343061.23914695 Redistribute (0.02565s) started
T01 << 1462343061.24010992 Redistribute (0.02661s) stopped
T01 >> 1462343062.13368392 Redistribute (0.02663s) started
T01 << 1462343062.13472390 Redistribute (0.02767s) stopped
T01 >> 1462343062.14559197 LCAO WFS Initialize (407.78367s) started
T01 >> 1462343062.14562011 Density initialize from wavefunctions (15.62281s) started
T01 >> 1462343062.14603996 Calculate density matrix (9.11710s) started
T01 << 1462343062.85313201 Calculate density matrix (9.82419s) stopped
T01 >> 1462343062.85320091 Construct density (2.19342s) started
T01 << 1462343063.03120899 Construct density (2.37143s) stopped
T01 >> 1462343063.03280807 Symmetrize density (0.00054s) started
T01 << 1462343063.03284001 Symmetrize density (0.00057s) stopped
T01 << 1462343063.36467004 Density initialize from wavefunctions (16.84186s) stopped
T01 >> 1462343063.36529803 Hamiltonian (391.95825s) started
T01 >> 1462343063.36533809 vbar (0.17883s) started
T01 << 1462343063.38148689 vbar (0.19497s) stopped
T01 >> 1462343063.38159108 XC 3D grid (142.05313s) started
T01 >> 1462343063.55249691 van der Waals (137.06764s) started
T01 >> 1462343063.59612989 semilocal (31.15756s) started
T01 << 1462343065.79655099 semilocal (33.35798s) stopped
T01 >> 1462343065.83029604 redistribute (15.63374s) started
T01 << 1462343066.23661804 redistribute (16.04007s) stopped
T01 >> 1462343066.23668790 libvdwxc nonlocal (89.24599s) started
T01 << 1462343072.95914602 libvdwxc nonlocal (95.96844s) stopped
T01 >> 1462343072.95922589 redistribute (16.04010s) started
T01 << 1462343073.60020590 redistribute (16.68108s) stopped
T01 << 1462343073.60154009 van der Waals (147.11668s) stopped
T01 << 1462343073.78095007 XC 3D grid (152.45249s) stopped
T01 >> 1462343073.78100610 Poisson (67.29915s) started
T01 << 1462343078.45376992 Poisson (71.97192s) stopped
T01 >> 1462343078.45389295 Hartree integrate/restrict (1.11486s) started
T01 << 1462343078.47283196 Hartree integrate/restrict (1.13380s) stopped
T01 >> 1462343078.47294807 Hartree integrate/restrict (1.13388s) started
T01 << 1462343078.53443599 Hartree integrate/restrict (1.19537s) stopped
T01 >> 1462343078.55190110 Atomic (92.30150s) started
T01 >> 1462343078.56225300 XC Correction (92.12273s) started
T01 << 1462343085.26329589 XC Correction (98.82378s) stopped
T01 << 1462343085.26645708 Atomic (99.01606s) stopped
T01 >> 1462343085.26672006 Communicate (88.67927s) started
T01 << 1462343091.46946812 Communicate (94.88202s) stopped
T01 << 1462343091.46949601 Hamiltonian (420.06245s) stopped
T01 << 1462343091.46954989 LCAO WFS Initialize (437.10763s) stopped
T01 << 1462343091.48193002 Initialization (746.88566s) stopped
T01 >> 1462343091.50719190 SCF-cycle (9622.27683s) started
T01 >> 1462343091.50723195 LCAO eigensolver (2385.27272s) started
T01 >> 1462343091.50724411 Potential matrix (75.95265s) started
T01 << 1462343091.76390195 Potential matrix (76.20931s) stopped
T01 >> 1462343091.76397800 DistributedAtomicCorrection (395.13481s) started
T01 << 1462343093.05649209 DistributedAtomicCorrection (396.42733s) stopped
T01 >> 1462343093.05659199 Distribute overlap matrix (345.05298s) started
T01 >> 1462343093.05661511 blocked summation (327.31072s) started
T01 << 1462343094.15728402 blocked summation (328.41139s) stopped
T01 >> 1462343094.15874004 Scalapack redistribute (17.32112s) started
T01 << 1462343094.21575499 Scalapack redistribute (17.37814s) stopped
T01 << 1462343094.21583605 Distribute overlap matrix (346.21223s) stopped
T01 >> 1462343094.21642709 Blacs Orbital Layouts (816.44207s) started
T01 >> 1462343094.21768808 General diagonalize (800.27302s) started
T01 << 1462343096.92736697 General diagonalize (802.98270s) stopped
T01 >> 1462343096.92741799 Redistribute coefs (0.83989s) started
T01 << 1462343096.93027496 Redistribute coefs (0.84275s) stopped
T01 >> 1462343096.93031812 Send coefs to domains (14.88934s) started
T01 << 1462343096.98085594 Send coefs to domains (14.93988s) stopped
T01 << 1462343096.98090696 Blacs Orbital Layouts (819.20655s) stopped
T01 >> 1462343096.98093200 Calculate projections (752.44101s) started
T01 << 1462343099.48269200 Calculate projections (754.94277s) stopped
T01 << 1462343099.48276997 LCAO eigensolver (2393.24826s) stopped
T01 >> 1462343099.48343801 Density (586.47369s) started
T01 >> 1462343099.48344994 Pseudo density (484.86734s) started
T01 >> 1462343099.48396397 Calculate density matrix (436.28697s) started
T01 << 1462343101.03499293 Calculate density matrix (437.83800s) stopped
T01 >> 1462343101.03505993 Construct density (47.91637s) started
T01 << 1462343101.20807409 Construct density (48.08938s) stopped
T01 >> 1462343101.20952702 Symmetrize density (0.01203s) started
T01 << 1462343101.20956302 Symmetrize density (0.01206s) stopped
T01 << 1462343101.21000409 Pseudo density (486.59389s) stopped
T01 >> 1462343101.21002412 Atomic density matrices (67.20868s) started
T01 << 1462343101.45091701 Atomic density matrices (67.44957s) stopped
T01 >> 1462343101.45095897 Multipole moments (1.08851s) started
T01 << 1462343101.45475006 Multipole moments (1.09230s) stopped
T01 >> 1462343101.45477390 Normalize (0.29182s) started
T01 << 1462343101.45598006 Normalize (0.29302s) stopped
T01 >> 1462343101.45601511 Mix (32.99912s) started
T01 << 1462343101.55985498 Mix (33.10296s) stopped
T01 << 1462343101.55992007 Density (588.55017s) stopped
T01 >> 1462343101.55999207 Hamiltonian (6650.29209s) started
T01 >> 1462343101.56000996 vbar (3.56312s) started
T01 << 1462343101.57711101 vbar (3.58022s) stopped
T01 >> 1462343101.57718492 XC 3D grid (2885.21482s) started
T01 >> 1462343101.75377297 van der Waals (2783.96055s) started
T01 >> 1462343101.79872704 semilocal (632.90332s) started
T01 << 1462343104.02905202 semilocal (635.13365s) stopped
T01 >> 1462343104.06049204 redistribute (316.78300s) started
T01 << 1462343104.43176699 redistribute (317.15428s) stopped
T01 >> 1462343104.43183208 libvdwxc nonlocal (1813.18622s) started
T01 << 1462343111.11548495 libvdwxc nonlocal (1819.86988s) stopped
T01 >> 1462343111.11555409 redistribute (317.15432s) started
T01 << 1462343111.76171494 redistribute (317.80048s) stopped
T01 << 1462343111.76300311 van der Waals (2793.96978s) stopped
T01 << 1462343111.94516110 XC 3D grid (2895.58280s) stopped
T01 >> 1462343111.94520497 Poisson (607.64168s) started
T01 << 1462343114.30660391 Poisson (610.00308s) stopped
T01 >> 1462343114.30667496 Hartree integrate/restrict (22.74280s) started
T01 << 1462343114.32562900 Hartree integrate/restrict (22.76176s) stopped
T01 >> 1462343114.32570195 Hartree integrate/restrict (22.76181s) started
T01 << 1462343114.38759398 Hartree integrate/restrict (22.82370s) stopped
T01 >> 1462343114.40460706 Atomic (1772.24761s) started
T01 >> 1462343114.41496110 XC Correction (1768.65403s) started
T01 << 1462343121.13896298 XC Correction (1775.37803s) stopped
T01 << 1462343121.14206600 Atomic (1778.98507s) stopped
T01 >> 1462343121.14221191 Communicate (1352.64815s) started
T01 << 1462343126.60010695 Communicate (1358.10605s) stopped
T01 << 1462343126.60014892 Hamiltonian (6675.33225s) stopped
T01 >> 1462343126.60027409 LCAO eigensolver (2393.24827s) started
T01 >> 1462343126.60028791 Potential matrix (76.20935s) started
T01 << 1462343126.85921097 Potential matrix (76.46828s) stopped
T01 >> 1462343126.85928512 DistributedAtomicCorrection (396.42740s) started
T01 << 1462343128.14386392 DistributedAtomicCorrection (397.71198s) stopped
T01 >> 1462343128.14393091 Distribute overlap matrix (346.21224s) started
T01 >> 1462343128.14395308 blocked summation (328.41143s) started
T01 << 1462343129.26536202 blocked summation (329.53284s) stopped
T01 >> 1462343129.26679397 Scalapack redistribute (17.37817s) started
T01 << 1462343129.32623100 Scalapack redistribute (17.43761s) stopped
T01 << 1462343129.32630801 Distribute overlap matrix (347.39462s) stopped
T01 >> 1462343129.32690501 Blacs Orbital Layouts (819.20656s) started
T01 >> 1462343129.32815790 General diagonalize (802.98274s) started
T01 << 1462343132.02384400 General diagonalize (805.67843s) stopped
T01 >> 1462343132.02390695 Redistribute coefs (0.84278s) started
T01 << 1462343132.02680302 Redistribute coefs (0.84568s) stopped
T01 >> 1462343132.02688098 Send coefs to domains (14.93992s) started
T01 << 1462343132.07780695 Send coefs to domains (14.99085s) stopped
T01 << 1462343132.07786012 Blacs Orbital Layouts (821.95752s) stopped
T01 >> 1462343132.07790804 Calculate projections (754.94283s) started
T01 << 1462343134.57953405 Calculate projections (757.44445s) stopped
T01 << 1462343134.57961512 LCAO eigensolver (2401.22761s) stopped
T01 >> 1462343134.58026099 Density (588.55019s) started
T01 >> 1462343134.58027411 Pseudo density (486.59391s) started
T01 >> 1462343134.58078909 Calculate density matrix (437.83804s) started
T01 << 1462343136.13563395 Calculate density matrix (439.39289s) stopped
T01 >> 1462343136.13570690 Construct density (48.08942s) started
T01 << 1462343136.30923295 Construct density (48.26294s) stopped
T01 >> 1462343136.31064701 Symmetrize density (0.01207s) started
T01 << 1462343136.31068611 Symmetrize density (0.01211s) stopped
T01 << 1462343136.31111908 Pseudo density (488.32475s) stopped
T01 >> 1462343136.31113911 Atomic density matrices (67.44960s) started
T01 << 1462343136.55100489 Atomic density matrices (67.68946s) stopped
T01 >> 1462343136.55104709 Multipole moments (1.09232s) started
T01 << 1462343136.55487800 Multipole moments (1.09615s) stopped
T01 >> 1462343136.55490088 Normalize (0.29305s) started
T01 << 1462343136.55608392 Normalize (0.29423s) stopped
T01 >> 1462343136.55611992 Mix (33.10303s) started
T01 << 1462343136.66411400 Mix (33.21102s) stopped
T01 << 1462343136.66420293 Density (590.63413s) stopped
T01 >> 1462343136.66428399 Hamiltonian (6675.33226s) started
T01 >> 1462343136.66430402 vbar (3.58026s) started
T01 << 1462343136.68082404 vbar (3.59678s) stopped
T01 >> 1462343136.68091798 XC 3D grid (2895.58283s) started
T01 >> 1462343136.85340810 van der Waals (2793.96982s) started
T01 >> 1462343136.89851594 semilocal (635.13373s) started
T01 << 1462343139.11122990 semilocal (637.34644s) stopped
T01 >> 1462343139.14394593 redistribute (317.80052s) started
T01 << 1462343139.55123496 redistribute (318.20781s) stopped
T01 >> 1462343139.55130005 libvdwxc nonlocal (1819.86993s) started
T01 << 1462343146.24758792 libvdwxc nonlocal (1826.56622s) stopped
T01 >> 1462343146.24765801 redistribute (318.20785s) started
T01 << 1462343146.89363503 redistribute (318.85383s) stopped
T01 << 1462343146.89485192 van der Waals (2804.01127s) stopped
T01 << 1462343147.07884192 XC 3D grid (2905.98076s) stopped
T01 >> 1462343147.07889295 Poisson (610.00313s) started
T01 << 1462343149.44570398 Poisson (612.36994s) stopped
T01 >> 1462343149.44579792 Hartree integrate/restrict (22.82373s) started
T01 << 1462343149.46497202 Hartree integrate/restrict (22.84291s) stopped
T01 >> 1462343149.46506310 Hartree integrate/restrict (22.84298s) started
T01 << 1462343149.52717590 Hartree integrate/restrict (22.90509s) stopped
T01 >> 1462343149.54878092 Atomic (1778.98508s) started
T01 >> 1462343149.55887890 XC Correction (1775.37806s) started
T01 << 1462343155.87863302 XC Correction (1781.69781s) stopped
T01 << 1462343155.88175511 Atomic (1785.31806s) stopped
T01 >> 1462343155.88190508 Communicate (1358.10608s) started
T01 << 1462343161.10969090 Communicate (1363.33386s) stopped
T01 << 1462343161.10973001 Hamiltonian (6699.77771s) stopped
T01 >> 1462343161.10985398 LCAO eigensolver (2401.22763s) started
T01 >> 1462343161.10986805 Potential matrix (76.46832s) started
T01 << 1462343161.36732006 Potential matrix (76.72577s) stopped
T01 >> 1462343161.36739397 DistributedAtomicCorrection (397.71201s) started
T01 << 1462343162.65854096 DistributedAtomicCorrection (399.00316s) stopped
T01 >> 1462343162.65860796 Distribute overlap matrix (347.39463s) started
T01 >> 1462343162.65863109 blocked summation (329.53288s) started
T01 << 1462343163.75351000 blocked summation (330.62776s) stopped
T01 >> 1462343163.75495911 Scalapack redistribute (17.43764s) started
T01 << 1462343163.81501698 Scalapack redistribute (17.49770s) stopped
T01 << 1462343163.81509709 Distribute overlap matrix (348.55112s) stopped
T01 >> 1462343163.81566906 Blacs Orbital Layouts (821.95753s) started
T01 >> 1462343163.81654191 General diagonalize (805.67846s) started
T01 << 1462343166.50679898 General diagonalize (808.36872s) stopped
T01 >> 1462343166.50686193 Redistribute coefs (0.84571s) started
T01 << 1462343166.50972795 Redistribute coefs (0.84858s) stopped
T01 >> 1462343166.50980592 Send coefs to domains (14.99089s) started
T01 << 1462343166.56120396 Send coefs to domains (15.04229s) stopped
T01 << 1462343166.56125808 Blacs Orbital Layouts (824.70312s) stopped
T01 >> 1462343166.56130695 Calculate projections (757.44450s) started
T01 << 1462343169.06279397 Calculate projections (759.94599s) stopped
T01 << 1462343169.06287193 LCAO eigensolver (2409.18065s) stopped
T01 >> 1462343169.06359792 Density (590.63415s) started
T01 >> 1462343169.06361008 Pseudo density (488.32477s) started
T01 >> 1462343169.06412911 Calculate density matrix (439.39294s) started
T01 << 1462343170.62395501 Calculate density matrix (440.95276s) stopped
T01 >> 1462343170.62403989 Construct density (48.26298s) started
T01 << 1462343170.79670095 Construct density (48.43564s) stopped
T01 >> 1462343170.79813695 Symmetrize density (0.01213s) started
T01 << 1462343170.79817104 Symmetrize density (0.01216s) stopped
T01 << 1462343170.79860497 Pseudo density (490.05976s) stopped
T01 >> 1462343170.79862499 Atomic density matrices (67.68949s) started
T01 << 1462343171.03947496 Atomic density matrices (67.93034s) stopped
T01 >> 1462343171.03951693 Multipole moments (1.09617s) started
T01 << 1462343171.04327393 Multipole moments (1.09992s) stopped
T01 >> 1462343171.04329705 Normalize (0.29426s) started
T01 << 1462343171.04448390 Normalize (0.29544s) stopped
T01 >> 1462343171.04451895 Mix (33.21111s) started
T01 << 1462343171.15789795 Mix (33.32449s) stopped
T01 << 1462343171.15796208 Density (592.72851s) stopped
T01 >> 1462343171.15804791 Hamiltonian (6699.77772s) started
T01 >> 1462343171.15806699 vbar (3.59684s) started
T01 << 1462343171.17420697 vbar (3.61298s) stopped
T01 >> 1462343171.17427301 XC 3D grid (2905.98079s) started
T01 >> 1462343171.34584594 van der Waals (2804.01132s) started
T01 >> 1462343171.39016891 semilocal (637.34657s) started
T01 << 1462343173.60474801 semilocal (639.56115s) stopped
T01 >> 1462343173.63850594 redistribute (318.85388s) started
T01 << 1462343174.03808308 redistribute (319.25346s) stopped
T01 >> 1462343174.03814697 libvdwxc nonlocal (1826.56627s) started
T01 << 1462343180.73107910 libvdwxc nonlocal (1833.25920s) stopped
T01 >> 1462343180.73116708 redistribute (319.25350s) started
T01 << 1462343181.37633896 redistribute (319.89867s) stopped
T01 << 1462343181.37754703 van der Waals (2814.04302s) stopped
T01 << 1462343181.55796790 XC 3D grid (2916.36449s) stopped
T01 >> 1462343181.55802608 Poisson (612.37002s) started
T01 << 1462343183.91556406 Poisson (614.72756s) stopped
T01 >> 1462343183.91567898 Hartree integrate/restrict (22.90513s) started
T01 << 1462343183.93455195 Hartree integrate/restrict (22.92400s) stopped
T01 >> 1462343183.93465590 Hartree integrate/restrict (22.92408s) started
T01 << 1462343184.00136805 Hartree integrate/restrict (22.99079s) stopped
T01 >> 1462343184.01902199 Atomic (1785.31807s) started
T01 >> 1462343184.02906704 XC Correction (1781.69786s) started
T01 << 1462343190.32176590 XC Correction (1787.99056s) stopped
T01 << 1462343190.32490802 Atomic (1791.62396s) stopped
T01 >> 1462343190.32505798 Communicate (1363.33389s) started
T01 << 1462343195.02053809 Communicate (1368.02937s) stopped
T01 << 1462343195.02056789 Hamiltonian (6723.64024s) stopped
T01 >> 1462343195.02066588 LCAO eigensolver (2409.18066s) started
T01 >> 1462343195.02067995 Potential matrix (76.72581s) started
T01 << 1462343195.27839804 Potential matrix (76.98352s) stopped
T01 >> 1462343195.27847409 DistributedAtomicCorrection (399.00320s) started
T01 << 1462343196.56292295 DistributedAtomicCorrection (400.28765s) stopped
T01 >> 1462343196.56298900 Distribute overlap matrix (348.55113s) started
T01 >> 1462343196.56301188 blocked summation (330.62780s) started
T01 << 1462343197.67802191 blocked summation (331.74281s) stopped
T01 >> 1462343197.67947197 Scalapack redistribute (17.49773s) started
T01 << 1462343197.74034309 Scalapack redistribute (17.55861s) stopped
T01 << 1462343197.74042010 Distribute overlap matrix (349.72856s) stopped
T01 >> 1462343197.74101591 Blacs Orbital Layouts (824.70313s) started
T01 >> 1462343197.74226809 General diagonalize (808.36876s) started
T01 << 1462343200.44155502 General diagonalize (811.06805s) stopped
T01 >> 1462343200.44161797 Redistribute coefs (0.84861s) started
T01 << 1462343200.44448495 Redistribute coefs (0.85148s) stopped
T01 >> 1462343200.44456291 Send coefs to domains (15.04233s) started
T01 << 1462343200.49513292 Send coefs to domains (15.09290s) stopped
T01 << 1462343200.49518800 Blacs Orbital Layouts (827.45730s) stopped
T01 >> 1462343200.49523902 Calculate projections (759.94605s) started
T01 << 1462343202.99687505 Calculate projections (762.44768s) stopped
T01 << 1462343202.99695611 LCAO eigensolver (2417.15695s) stopped
T01 >> 1462343202.99770904 Density (592.72852s) started
T01 >> 1462343202.99772191 Pseudo density (490.05978s) started
T01 >> 1462343202.99823308 Calculate density matrix (440.95280s) started
T01 << 1462343204.55477595 Calculate density matrix (442.50935s) stopped
T01 >> 1462343204.55486298 Construct density (48.43568s) started
T01 << 1462343204.72777605 Construct density (48.60859s) stopped
T01 >> 1462343204.72920203 Symmetrize density (0.01217s) started
T01 << 1462343204.72923493 Symmetrize density (0.01220s) stopped
T01 << 1462343204.72967196 Pseudo density (491.79173s) stopped
T01 >> 1462343204.72969198 Atomic density matrices (67.93037s) started
T01 << 1462343204.97013497 Atomic density matrices (68.17081s) stopped
T01 >> 1462343204.97017598 Multipole moments (1.09994s) started
T01 << 1462343204.97390199 Multipole moments (1.10366s) stopped
T01 >> 1462343204.97392511 Normalize (0.29547s) started
T01 << 1462343204.97512197 Normalize (0.29666s) stopped
T01 >> 1462343204.97515607 Mix (33.32455s) started
T01 << 1462343205.08972907 Mix (33.43912s) stopped
T01 << 1462343205.08981705 Density (594.82063s) stopped
T01 >> 1462343205.08989310 Hamiltonian (6723.64025s) started
T01 >> 1462343205.08991194 vbar (3.61301s) started
T01 << 1462343205.10679603 vbar (3.62990s) stopped
T01 >> 1462343205.10689998 XC 3D grid (2916.36453s) started
T01 >> 1462343205.28657603 van der Waals (2814.04307s) started
T01 >> 1462343205.33126092 semilocal (639.56124s) started
T01 << 1462343207.56395006 semilocal (641.79393s) stopped
T01 >> 1462343207.59610200 redistribute (319.89871s) started
T01 << 1462343207.96943688 redistribute (320.27205s) stopped
T01 >> 1462343207.96950197 libvdwxc nonlocal (1833.25926s) started
T01 << 1462343214.67434406 libvdwxc nonlocal (1839.96410s) stopped
T01 >> 1462343214.67442393 redistribute (320.27209s) started
T01 << 1462343215.32194591 redistribute (320.91961s) stopped
T01 << 1462343215.32313108 van der Waals (2824.07962s) stopped
T01 << 1462343215.50436306 XC 3D grid (2926.76200s) stopped
T01 >> 1462343215.50441194 Poisson (614.72764s) started
T01 << 1462343217.86527395 Poisson (617.08850s) stopped
T01 >> 1462343217.86536002 Hartree integrate/restrict (22.99084s) started
T01 << 1462343217.88425899 Hartree integrate/restrict (23.00974s) stopped
T01 >> 1462343217.88435888 Hartree integrate/restrict (23.00981s) started
T01 << 1462343217.94616103 Hartree integrate/restrict (23.07161s) stopped
T01 >> 1462343217.96410990 Atomic (1791.62398s) started
T01 >> 1462343217.97412610 XC Correction (1787.99058s) started
T01 << 1462343224.26005006 XC Correction (1794.27651s) stopped
T01 << 1462343224.26316595 Atomic (1797.92303s) stopped
T01 >> 1462343224.26331592 Communicate (1368.02939s) started
T01 << 1462343228.98835397 Communicate (1372.75443s) stopped
T01 << 1462343228.98838210 Hamiltonian (6747.53874s) stopped
T01 >> 1462343228.98847795 LCAO eigensolver (2417.15696s) started
T01 >> 1462343228.98849201 Potential matrix (76.98356s) started
T01 << 1462343229.24594903 Potential matrix (77.24102s) stopped
T01 >> 1462343229.24602389 DistributedAtomicCorrection (400.28768s) started
T01 << 1462343230.53008604 DistributedAtomicCorrection (401.57174s) stopped
T01 >> 1462343230.53015208 Distribute overlap matrix (349.72857s) started
T01 >> 1462343230.53017402 blocked summation (331.74285s) started
T01 << 1462343231.64269805 blocked summation (332.85538s) stopped
T01 >> 1462343231.64413500 Scalapack redistribute (17.55864s) started
T01 << 1462343231.70489597 Scalapack redistribute (17.61940s) stopped
T01 << 1462343231.70497489 Distribute overlap matrix (350.90339s) stopped
T01 >> 1462343231.70553803 Blacs Orbital Layouts (827.45732s) started
T01 >> 1462343231.70670199 General diagonalize (811.06809s) started
T01 << 1462343234.41050601 General diagonalize (813.77189s) stopped
T01 >> 1462343234.41057205 Redistribute coefs (0.85151s) started
T01 << 1462343234.41327405 Redistribute coefs (0.85421s) stopped
T01 >> 1462343234.41331911 Send coefs to domains (15.09294s) started
T01 << 1462343234.46351695 Send coefs to domains (15.14314s) stopped
T01 << 1462343234.46356702 Blacs Orbital Layouts (830.21534s) stopped
T01 >> 1462343234.46361303 Calculate projections (762.44774s) started
T01 << 1462343236.96522188 Calculate projections (764.94934s) stopped
T01 << 1462343236.96530294 LCAO eigensolver (2425.13379s) stopped
T01 >> 1462343236.96603703 Density (594.82065s) started
T01 >> 1462343236.96604991 Pseudo density (491.79174s) started
T01 >> 1462343236.96656799 Calculate density matrix (442.50939s) started
T01 << 1462343238.51950502 Calculate density matrix (444.06233s) stopped
T01 >> 1462343238.51960111 Construct density (48.60862s) started
T01 << 1462343238.69306207 Construct density (48.78208s) stopped
T01 >> 1462343238.69452000 Symmetrize density (0.01222s) started
T01 << 1462343238.69455409 Symmetrize density (0.01225s) stopped
T01 << 1462343238.69498992 Pseudo density (493.52068s) stopped
T01 >> 1462343238.69500995 Atomic density matrices (68.17084s) started
T01 << 1462343238.93451810 Atomic density matrices (68.41035s) stopped
T01 >> 1462343238.93455696 Multipole moments (1.10368s) started
T01 << 1462343238.93830991 Multipole moments (1.10743s) stopped
T01 >> 1462343238.93833303 Normalize (0.29669s) started
T01 << 1462343238.93951702 Normalize (0.29787s) stopped
T01 >> 1462343238.93955398 Mix (33.43921s) started
T01 << 1462343239.05886412 Mix (33.55852s) stopped
T01 << 1462343239.05893207 Density (596.91354s) stopped
T01 >> 1462343239.05901194 Hamiltonian (6747.53875s) started
T01 >> 1462343239.05903196 vbar (3.62996s) started
T01 << 1462343239.07553101 vbar (3.64646s) stopped
T01 >> 1462343239.07559705 XC 3D grid (2926.76203s) started
T01 >> 1462343239.25865412 van der Waals (2824.07967s) started
T01 >> 1462343239.30348611 semilocal (641.79400s) started
T01 << 1462343241.53419304 semilocal (644.02471s) stopped
T01 >> 1462343241.56574893 redistribute (320.91966s) started
T01 << 1462343241.94008589 redistribute (321.29400s) stopped
T01 >> 1462343241.94014907 libvdwxc nonlocal (1839.96416s) started
T01 << 1462343248.64319110 libvdwxc nonlocal (1846.66720s) stopped
T01 >> 1462343248.64327502 redistribute (321.29403s) started
T01 << 1462343249.29000401 redistribute (321.94076s) stopped
T01 << 1462343249.29121399 van der Waals (2834.11223s) stopped
T01 << 1462343249.47385097 XC 3D grid (2937.16029s) stopped
T01 >> 1462343249.47390199 Poisson (617.08857s) started
T01 << 1462343251.83828902 Poisson (619.45296s) stopped
T01 >> 1462343251.83837891 Hartree integrate/restrict (23.07165s) started
T01 << 1462343251.85701990 Hartree integrate/restrict (23.09029s) stopped
T01 >> 1462343251.85708189 Hartree integrate/restrict (23.09033s) started
T01 << 1462343251.91947198 Hartree integrate/restrict (23.15272s) stopped
T01 >> 1462343251.93957806 Atomic (1797.92305s) started
T01 >> 1462343251.94974899 XC Correction (1794.27653s) started
T01 << 1462343258.31600904 XC Correction (1800.64279s) stopped
T01 << 1462343258.31913209 Atomic (1804.30260s) stopped
T01 >> 1462343258.31927991 Communicate (1372.75444s) started
T01 << 1462343263.05156112 Communicate (1377.48673s) stopped
T01 << 1462343263.05158901 Hamiltonian (6771.53133s) stopped
T01 >> 1462343263.05168700 LCAO eigensolver (2425.13380s) started
T01 >> 1462343263.05170107 Potential matrix (77.24106s) started
T01 << 1462343263.30803204 Potential matrix (77.49739s) stopped
T01 >> 1462343263.30810595 DistributedAtomicCorrection (401.57178s) started
T01 << 1462343264.60072994 DistributedAtomicCorrection (402.86441s) stopped
T01 >> 1462343264.60079789 Distribute overlap matrix (350.90341s) started
T01 >> 1462343264.60082006 blocked summation (332.85542s) started
T01 << 1462343265.67904902 blocked summation (333.93365s) stopped
T01 >> 1462343265.68050694 Scalapack redistribute (17.61944s) started
T01 << 1462343265.73994493 Scalapack redistribute (17.67887s) stopped
T01 << 1462343265.74002290 Distribute overlap matrix (352.04263s) stopped
T01 >> 1462343265.74059105 Blacs Orbital Layouts (830.21536s) started
T01 >> 1462343265.74200702 General diagonalize (813.77193s) started
T01 << 1462343268.44410396 General diagonalize (816.47403s) stopped
T01 >> 1462343268.44416690 Redistribute coefs (0.85425s) started
T01 << 1462343268.44676709 Redistribute coefs (0.85685s) stopped
T01 >> 1462343268.44684911 Send coefs to domains (15.14318s) started
T01 << 1462343268.49878693 Send coefs to domains (15.19512s) stopped
T01 << 1462343268.49918890 Blacs Orbital Layouts (832.97395s) stopped
T01 >> 1462343268.49925089 Calculate projections (764.94940s) started
T01 << 1462343271.00082207 Calculate projections (767.45097s) stopped
T01 << 1462343271.00089908 LCAO eigensolver (2433.08301s) stopped
T01 >> 1462343271.00162005 Density (596.91355s) started
T01 >> 1462343271.00163293 Pseudo density (493.52070s) started
T01 >> 1462343271.00215411 Calculate density matrix (444.06238s) started
T01 << 1462343272.55962801 Calculate density matrix (445.61985s) stopped
T01 >> 1462343272.55971503 Construct density (48.78212s) started
T01 << 1462343272.73230696 Construct density (48.95471s) stopped
T01 >> 1462343272.73377991 Symmetrize density (0.01226s) started
T01 << 1462343272.73381400 Symmetrize density (0.01230s) stopped
T01 << 1462343272.73424602 Pseudo density (495.25331s) stopped
T01 >> 1462343272.73426604 Atomic density matrices (68.41038s) started
T01 << 1462343272.97462392 Atomic density matrices (68.65073s) stopped
T01 >> 1462343272.97466803 Multipole moments (1.10745s) started
T01 << 1462343272.97839093 Multipole moments (1.11117s) stopped
T01 >> 1462343272.97841406 Normalize (0.29790s) started
T01 << 1462343272.97959495 Normalize (0.29908s) stopped
T01 >> 1462343272.97963190 Mix (33.55858s) started
T01 << 1462343273.10136890 Mix (33.68032s) stopped
T01 << 1462343273.10141611 Density (599.01335s) stopped
T01 >> 1462343273.10148692 Hamiltonian (6771.53134s) started
T01 >> 1462343273.10150599 vbar (3.64649s) started
T01 << 1462343273.11776900 vbar (3.66276s) stopped
T01 >> 1462343273.11783195 XC 3D grid (2937.16033s) started
T01 >> 1462343273.29685712 van der Waals (2834.11227s) started
T01 >> 1462343273.33983207 semilocal (644.02477s) started
T01 << 1462343275.58832693 semilocal (646.27327s) stopped
T01 >> 1462343275.61971688 redistribute (321.94080s) started
T01 << 1462343275.99437499 redistribute (322.31546s) stopped
T01 >> 1462343275.99443889 libvdwxc nonlocal (1846.66726s) started
T01 << 1462343282.70441103 libvdwxc nonlocal (1853.37723s) stopped
T01 >> 1462343282.70449090 redistribute (322.31550s) started
T01 << 1462343283.35317111 redistribute (322.96418s) stopped
T01 << 1462343283.35432696 van der Waals (2844.16974s) stopped
T01 << 1462343283.53382492 XC 3D grid (2947.57632s) stopped
T01 >> 1462343283.53389096 Poisson (619.45302s) started
T01 << 1462343285.89880300 Poisson (621.81793s) stopped
T01 >> 1462343285.89894009 Hartree integrate/restrict (23.15275s) started
T01 << 1462343285.91803288 Hartree integrate/restrict (23.17185s) stopped
T01 >> 1462343285.91815209 Hartree integrate/restrict (23.17193s) started
T01 << 1462343285.97969508 Hartree integrate/restrict (23.23348s) stopped
T01 >> 1462343286.00241590 Atomic (1804.30262s) started
T01 >> 1462343286.01270795 XC Correction (1800.64282s) started
T01 << 1462343292.38863802 XC Correction (1807.01875s) stopped
T01 << 1462343292.39178205 Atomic (1810.69199s) stopped
T01 >> 1462343292.39192891 Communicate (1377.48674s) started
T01 << 1462343297.17481303 Communicate (1382.26963s) stopped
T01 << 1462343297.17484093 Hamiltonian (6795.60470s) stopped
T01 >> 1462343297.17493701 LCAO eigensolver (2433.08302s) started
T01 >> 1462343297.17495108 Potential matrix (77.49743s) started
T01 << 1462343297.43172693 Potential matrix (77.75421s) stopped
T01 >> 1462343297.43179989 DistributedAtomicCorrection (402.86444s) started
T01 << 1462343298.72935700 DistributedAtomicCorrection (404.16200s) stopped
T01 >> 1462343298.72942305 Distribute overlap matrix (352.04264s) started
T01 >> 1462343298.72944498 blocked summation (333.93369s) started
T01 << 1462343299.81955409 blocked summation (335.02380s) stopped
T01 >> 1462343299.82100892 Scalapack redistribute (17.67891s) started
T01 << 1462343299.87952304 Scalapack redistribute (17.73742s) stopped
T01 << 1462343299.87960196 Distribute overlap matrix (353.19282s) stopped
T01 >> 1462343299.88021207 Blacs Orbital Layouts (832.97397s) started
T01 >> 1462343299.88237691 General diagonalize (816.47407s) started
T01 << 1462343302.58404708 General diagonalize (819.17574s) stopped
T01 >> 1462343302.58411002 Redistribute coefs (0.85688s) started
T01 << 1462343302.58680105 Redistribute coefs (0.85958s) stopped
T01 >> 1462343302.58688307 Send coefs to domains (15.19516s) started
T01 << 1462343302.63832593 Send coefs to domains (15.24661s) stopped
T01 << 1462343302.63893795 Blacs Orbital Layouts (835.73270s) stopped
T01 >> 1462343302.63899589 Calculate projections (767.45102s) started
T01 << 1462343305.14069295 Calculate projections (769.95272s) stopped
T01 << 1462343305.14077592 LCAO eigensolver (2441.04886s) stopped
T01 >> 1462343305.14152694 Density (599.01337s) started
T01 >> 1462343305.14154005 Pseudo density (495.25332s) started
T01 >> 1462343305.14206791 Calculate density matrix (445.61990s) started
T01 << 1462343306.69916296 Calculate density matrix (447.17699s) stopped
T01 >> 1462343306.69925094 Construct density (48.95474s) started
T01 << 1462343306.87213993 Construct density (49.12763s) stopped
T01 >> 1462343306.87355304 Symmetrize density (0.01231s) started
T01 << 1462343306.87358594 Symmetrize density (0.01234s) stopped
T01 << 1462343306.87402797 Pseudo density (496.98581s) stopped
T01 >> 1462343306.87404799 Atomic density matrices (68.65076s) started
T01 << 1462343307.11567092 Atomic density matrices (68.89239s) stopped
T01 >> 1462343307.11571097 Multipole moments (1.11119s) started
T01 << 1462343307.11947489 Multipole moments (1.11495s) stopped
T01 >> 1462343307.11949801 Normalize (0.29911s) started
T01 << 1462343307.12069988 Normalize (0.30031s) stopped
T01 >> 1462343307.12073493 Mix (33.68036s) started
T01 << 1462343307.24048901 Mix (33.80012s) stopped
T01 << 1462343307.24057007 Density (601.11241s) stopped
T01 >> 1462343307.24064493 Hamiltonian (6795.60471s) started
T01 >> 1462343307.24066901 vbar (3.66279s) started
T01 << 1462343307.25776005 vbar (3.67988s) stopped
T01 >> 1462343307.25789809 XC 3D grid (2947.57637s) started
T01 >> 1462343307.43423510 van der Waals (2844.16980s) started
T01 >> 1462343307.47964692 semilocal (646.27335s) started
T01 << 1462343309.70518899 semilocal (648.49889s) stopped
T01 >> 1462343309.73844194 redistribute (322.96422s) started
T01 << 1462343310.12328506 redistribute (323.34907s) stopped
T01 >> 1462343310.12334895 libvdwxc nonlocal (1853.37729s) started
T01 << 1462343316.81917310 libvdwxc nonlocal (1860.07311s) stopped
T01 >> 1462343316.81923199 redistribute (323.34911s) started
T01 << 1462343317.46418095 redistribute (323.99405s) stopped
T01 << 1462343317.46539688 van der Waals (2854.20096s) stopped
T01 << 1462343317.64626503 XC 3D grid (2957.96474s) stopped
T01 >> 1462343317.64630890 Poisson (621.81804s) started
T01 << 1462343320.01012111 Poisson (624.18185s) stopped
T01 >> 1462343320.01019311 Hartree integrate/restrict (23.23352s) started
T01 << 1462343320.02904797 Hartree integrate/restrict (23.25237s) stopped
T01 >> 1462343320.02910495 Hartree integrate/restrict (23.25241s) started
T01 << 1462343320.09749794 Hartree integrate/restrict (23.32081s) stopped
T01 >> 1462343320.11022902 Atomic (1810.69200s) started
T01 >> 1462343320.12039590 XC Correction (1807.01877s) started
T01 << 1462343326.46921206 XC Correction (1813.36759s) stopped
T01 << 1462343326.47235203 Atomic (1817.05413s) stopped
T01 >> 1462343326.47249889 Communicate (1382.26965s) started
T01 << 1462343331.20653105 Communicate (1387.00368s) stopped
T01 << 1462343331.20655894 Hamiltonian (6819.57062s) stopped
T01 >> 1462343331.20665407 LCAO eigensolver (2441.04888s) started
T01 >> 1462343331.20667195 Potential matrix (77.75425s) started
T01 << 1462343331.46444011 Potential matrix (78.01202s) stopped
T01 >> 1462343331.46451497 DistributedAtomicCorrection (404.16204s) started
T01 << 1462343332.76541090 DistributedAtomicCorrection (405.46293s) stopped
T01 >> 1462343332.76547790 Distribute overlap matrix (353.19284s) started
T01 >> 1462343332.76550007 blocked summation (335.02384s) started
T01 << 1462343333.83272791 blocked summation (336.09107s) stopped
T01 >> 1462343333.83428001 Scalapack redistribute (17.73746s) started
T01 << 1462343333.89223099 Scalapack redistribute (17.79541s) stopped
T01 << 1462343333.89231300 Distribute overlap matrix (354.31967s) stopped
T01 >> 1462343333.89286900 Blacs Orbital Layouts (835.73272s) started
T01 >> 1462343333.89422011 General diagonalize (819.17577s) started
T01 << 1462343336.59174991 General diagonalize (821.87330s) stopped
T01 >> 1462343336.59181190 Redistribute coefs (0.85961s) started
T01 << 1462343336.59550691 Redistribute coefs (0.86330s) stopped
T01 >> 1462343336.59555292 Send coefs to domains (15.24665s) started
T01 << 1462343336.64578891 Send coefs to domains (15.29689s) stopped
T01 << 1462343336.64615011 Blacs Orbital Layouts (838.48600s) stopped
T01 >> 1462343336.64620399 Calculate projections (769.95278s) started
T01 << 1462343339.14800096 Calculate projections (772.45457s) stopped
T01 << 1462343339.14808202 LCAO eigensolver (2448.99031s) stopped
T01 >> 1462343339.14881706 Density (601.11243s) started
T01 >> 1462343339.14882994 Pseudo density (496.98582s) started
T01 >> 1462343339.14934707 Calculate density matrix (447.17703s) started
T01 << 1462343340.71407795 Calculate density matrix (448.74176s) stopped
T01 >> 1462343340.71416593 Construct density (49.12767s) started
T01 << 1462343340.88760900 Construct density (49.30111s) stopped
T01 >> 1462343340.88902712 Symmetrize density (0.01235s) started
T01 << 1462343340.88905907 Symmetrize density (0.01238s) stopped
T01 << 1462343340.88948894 Pseudo density (498.72648s) stopped
T01 >> 1462343340.88950992 Atomic density matrices (68.89241s) started
T01 << 1462343341.13035393 Atomic density matrices (69.13326s) stopped
T01 >> 1462343341.13039303 Multipole moments (1.11497s) started
T01 << 1462343341.13419700 Multipole moments (1.11877s) stopped
T01 >> 1462343341.13421988 Normalize (0.30033s) started
T01 << 1462343341.13539505 Normalize (0.30151s) stopped
T01 >> 1462343341.13543391 Mix (33.80020s) started
T01 << 1462343341.25625610 Mix (33.92102s) stopped
T01 << 1462343341.25635600 Density (603.21996s) stopped
T01 >> 1462343341.25643897 Hamiltonian (6819.57064s) started
T01 >> 1462343341.25645900 vbar (3.67996s) started
T01 << 1462343341.27294397 vbar (3.69645s) stopped
T01 >> 1462343341.27303004 XC 3D grid (2957.96477s) started
T01 >> 1462343341.45170903 van der Waals (2854.20100s) started
T01 >> 1462343341.49624801 semilocal (648.49899s) started
T01 << 1462343343.72320509 semilocal (650.72595s) stopped
T01 >> 1462343343.75573611 redistribute (323.99410s) started
T01 << 1462343344.13873696 redistribute (324.37710s) stopped
T01 >> 1462343344.13880205 libvdwxc nonlocal (1860.07315s) started
T01 << 1462343350.83666205 libvdwxc nonlocal (1866.77101s) stopped
T01 >> 1462343350.83673596 redistribute (324.37714s) started
T01 << 1462343351.48388791 redistribute (325.02429s) stopped
T01 << 1462343351.48511195 van der Waals (2864.23440s) stopped
T01 << 1462343351.66709995 XC 3D grid (2968.35884s) stopped
T01 >> 1462343351.66715288 Poisson (624.18190s) started
T01 << 1462343354.02810502 Poisson (626.54286s) stopped
T01 >> 1462343354.02819896 Hartree integrate/restrict (23.32084s) started
T01 << 1462343354.04735208 Hartree integrate/restrict (23.33999s) stopped
T01 >> 1462343354.04744792 Hartree integrate/restrict (23.34006s) started
T01 << 1462343354.10990810 Hartree integrate/restrict (23.40252s) stopped
T01 >> 1462343354.13145900 Atomic (1817.05414s) started
T01 >> 1462343354.14159298 XC Correction (1813.36761s) started
T01 << 1462343360.55239201 XC Correction (1819.77841s) stopped
T01 << 1462343360.55551291 Atomic (1823.47820s) stopped
T01 >> 1462343360.55566192 Communicate (1387.00370s) started
T01 << 1462343365.24117899 Communicate (1391.68922s) stopped
T01 << 1462343365.24120593 Hamiltonian (6843.55540s) stopped
T01 >> 1462343365.24130201 LCAO eigensolver (2448.99032s) started
T01 >> 1462343365.24131608 Potential matrix (78.01206s) started
T01 << 1462343365.49790907 Potential matrix (78.26865s) stopped
T01 >> 1462343365.49798298 DistributedAtomicCorrection (405.46297s) started
T01 << 1462343366.81642604 DistributedAtomicCorrection (406.78141s) stopped
T01 >> 1462343366.81649399 Distribute overlap matrix (354.31968s) started
T01 >> 1462343366.81651592 blocked summation (336.09111s) started
T01 << 1462343367.87694597 blocked summation (337.15154s) stopped
T01 >> 1462343367.87847209 Scalapack redistribute (17.79545s) started
T01 << 1462343367.93687797 Scalapack redistribute (17.85385s) stopped
T01 << 1462343367.93695807 Distribute overlap matrix (355.44015s) stopped
T01 >> 1462343367.93751693 Blacs Orbital Layouts (838.48602s) started
T01 >> 1462343367.93887210 General diagonalize (821.87334s) started
T01 << 1462343370.65360498 General diagonalize (824.58808s) stopped
T01 >> 1462343370.65367103 Redistribute coefs (0.86334s) started
T01 << 1462343370.65654397 Redistribute coefs (0.86621s) stopped
T01 >> 1462343370.65659189 Send coefs to domains (15.29693s) started
T01 << 1462343370.70866203 Send coefs to domains (15.34900s) stopped
T01 << 1462343370.70902395 Blacs Orbital Layouts (841.25752s) stopped
T01 >> 1462343370.70907688 Calculate projections (772.45463s) started
T01 << 1462343373.21058297 Calculate projections (774.95613s) stopped
T01 << 1462343373.21066499 LCAO eigensolver (2456.95968s) stopped
T01 >> 1462343373.21139407 Density (603.21998s) started
T01 >> 1462343373.21140695 Pseudo density (498.72650s) started
T01 >> 1462343373.21192908 Calculate density matrix (448.74181s) started
T01 << 1462343374.77938604 Calculate density matrix (450.30926s) stopped
T01 >> 1462343374.77947092 Construct density (49.30115s) started
T01 << 1462343374.95214295 Construct density (49.47382s) stopped
T01 >> 1462343374.95357108 Symmetrize density (0.01240s) started
T01 << 1462343374.95360589 Symmetrize density (0.01243s) stopped
T01 << 1462343374.95404696 Pseudo density (500.46914s) stopped
T01 >> 1462343374.95406604 Atomic density matrices (69.13329s) started
T01 << 1462343375.19558191 Atomic density matrices (69.37480s) stopped
T01 >> 1462343375.19562292 Multipole moments (1.11879s) started
T01 << 1462343375.19943094 Multipole moments (1.12259s) stopped
T01 >> 1462343375.19945407 Normalize (0.30154s) started
T01 << 1462343375.20064807 Normalize (0.30273s) stopped
T01 >> 1462343375.20068789 Mix (33.92111s) started
T01 << 1462343375.32294106 Mix (34.04337s) stopped
T01 << 1462343375.32298803 Density (605.33157s) stopped
T01 >> 1462343375.32306409 Hamiltonian (6843.55542s) started
T01 >> 1462343375.32308412 vbar (3.69650s) started
T01 << 1462343375.33929491 vbar (3.71271s) stopped
T01 >> 1462343375.33935905 XC 3D grid (2968.35888s) started
T01 >> 1462343375.51411891 van der Waals (2864.23444s) started
T01 >> 1462343375.55843306 semilocal (650.72605s) started
T01 << 1462343377.77764010 semilocal (652.94526s) stopped
T01 >> 1462343377.80983090 redistribute (325.02434s) started
T01 << 1462343378.19901204 redistribute (325.41352s) stopped
T01 >> 1462343378.19907594 libvdwxc nonlocal (1866.77105s) started
T01 << 1462343384.91338396 libvdwxc nonlocal (1873.48536s) stopped
T01 >> 1462343384.91346192 redistribute (325.41356s) started
T01 << 1462343385.55878997 redistribute (326.05888s) stopped
T01 << 1462343385.55994201 van der Waals (2874.28027s) stopped
T01 << 1462343385.74386692 XC 3D grid (2978.76339s) stopped
T01 >> 1462343385.74393392 Poisson (626.54293s) started
T01 << 1462343387.52574706 Poisson (628.32474s) stopped
T01 >> 1462343387.52585506 Hartree integrate/restrict (23.40256s) started
T01 << 1462343387.54457688 Hartree integrate/restrict (23.42128s) stopped
T01 >> 1462343387.54467010 Hartree integrate/restrict (23.42134s) started
T01 << 1462343387.61199689 Hartree integrate/restrict (23.48867s) stopped
T01 >> 1462343387.63000107 Atomic (1823.47821s) started
T01 >> 1462343387.64028811 XC Correction (1819.77844s) started
T01 << 1462343394.07582498 XC Correction (1826.21397s) stopped
T01 << 1462343394.07895994 Atomic (1829.92717s) stopped
T01 >> 1462343394.07910609 Communicate (1391.68924s) started
T01 << 1462343398.70277500 Communicate (1396.31291s) stopped
T01 << 1462343398.70280409 Hamiltonian (6866.93516s) stopped
T01 >> 1462343398.70289898 LCAO eigensolver (2456.95970s) started
T01 >> 1462343398.70291209 Potential matrix (78.26869s) started
T01 << 1462343398.96138597 Potential matrix (78.52716s) stopped
T01 >> 1462343398.96146011 DistributedAtomicCorrection (406.78145s) started
T01 << 1462343400.25826693 DistributedAtomicCorrection (408.07826s) stopped
T01 >> 1462343400.25833607 Distribute overlap matrix (355.44016s) started
T01 >> 1462343400.25835800 blocked summation (337.15158s) started
T01 << 1462343401.36262703 blocked summation (338.25585s) stopped
T01 >> 1462343401.36416888 Scalapack redistribute (17.85389s) started
T01 << 1462343401.42152691 Scalapack redistribute (17.91125s) stopped
T01 << 1462343401.42163706 Distribute overlap matrix (356.60346s) stopped
T01 >> 1462343401.42219591 Blacs Orbital Layouts (841.25754s) started
T01 >> 1462343401.42324209 General diagonalize (824.58812s) started
T01 << 1462343404.13874888 General diagonalize (827.30362s) stopped
T01 >> 1462343404.13881111 Redistribute coefs (0.86625s) started
T01 << 1462343404.14254904 Redistribute coefs (0.86999s) stopped
T01 >> 1462343404.14259410 Send coefs to domains (15.34904s) started
T01 << 1462343404.19305611 Send coefs to domains (15.39950s) stopped
T01 << 1462343404.19310808 Blacs Orbital Layouts (844.02845s) stopped
T01 >> 1462343404.19315100 Calculate projections (774.95619s) started
T01 << 1462343406.69496012 Calculate projections (777.45799s) stopped
T01 << 1462343406.69504189 LCAO eigensolver (2464.95184s) stopped
T01 >> 1462343406.69579911 Density (605.33159s) started
T01 >> 1462343406.69581199 Pseudo density (500.46915s) started
T01 >> 1462343406.69631791 Calculate density matrix (450.30930s) started
T01 << 1462343408.25197196 Calculate density matrix (451.86496s) stopped
T01 >> 1462343408.25206089 Construct density (49.47386s) started
T01 << 1462343408.42493010 Construct density (49.64673s) stopped
T01 >> 1462343408.42638493 Symmetrize density (0.01244s) started
T01 << 1462343408.42641807 Symmetrize density (0.01247s) stopped
T01 << 1462343408.42686009 Pseudo density (502.20020s) stopped
T01 >> 1462343408.42687988 Atomic density matrices (69.37483s) started
T01 << 1462343408.66723394 Atomic density matrices (69.61518s) stopped
T01 >> 1462343408.66727400 Multipole moments (1.12261s) started
T01 << 1462343408.67107201 Multipole moments (1.12641s) stopped
T01 >> 1462343408.67109394 Normalize (0.30276s) started
T01 << 1462343408.67228699 Normalize (0.30395s) stopped
T01 >> 1462343408.67232394 Mix (34.04341s) started
T01 << 1462343408.79144406 Mix (34.16253s) stopped
T01 << 1462343408.79153991 Density (607.42733s) stopped
T01 >> 1462343408.79161692 Hamiltonian (6866.93517s) started
T01 >> 1462343408.79163504 vbar (3.71274s) started
T01 << 1462343408.80864692 vbar (3.72975s) stopped
T01 >> 1462343408.80878210 XC 3D grid (2978.76345s) started
T01 >> 1462343408.98347902 van der Waals (2874.28030s) started
T01 >> 1462343409.02888799 semilocal (652.94535s) started
T01 << 1462343411.24762011 semilocal (655.16408s) stopped
T01 >> 1462343411.28026795 redistribute (326.05893s) started
T01 << 1462343411.66136193 redistribute (326.44002s) stopped
T01 >> 1462343411.66142607 libvdwxc nonlocal (1873.48541s) started
T01 << 1462343418.36989689 libvdwxc nonlocal (1880.19388s) stopped
T01 >> 1462343418.36997294 redistribute (326.44006s) started
T01 << 1462343419.01525688 redistribute (327.08535s) stopped
T01 << 1462343419.01640606 van der Waals (2884.31323s) stopped
T01 << 1462343419.19654989 XC 3D grid (2989.15121s) stopped
T01 >> 1462343419.19659495 Poisson (628.32482s) started
T01 << 1462343420.97876811 Poisson (630.10700s) stopped
T01 >> 1462343420.97886896 Hartree integrate/restrict (23.48873s) started
T01 << 1462343420.99783206 Hartree integrate/restrict (23.50769s) stopped
T01 >> 1462343420.99790692 Hartree integrate/restrict (23.50774s) started
T01 << 1462343421.06576705 Hartree integrate/restrict (23.57560s) stopped
T01 >> 1462343421.08253193 Atomic (1829.92719s) started
T01 >> 1462343421.09276700 XC Correction (1826.21400s) started
T01 << 1462343427.38214397 XC Correction (1832.50338s) stopped
T01 << 1462343427.38526702 Atomic (1836.22992s) stopped
T01 >> 1462343427.38541603 Communicate (1396.31293s) started
T01 << 1462343432.30596590 Communicate (1401.23347s) stopped
T01 << 1462343432.30599594 Hamiltonian (6890.44955s) stopped
T01 >> 1462343432.30609107 LCAO eigensolver (2464.95185s) started
T01 >> 1462343432.30610490 Potential matrix (78.52720s) started
T01 << 1462343432.56488299 Potential matrix (78.78598s) stopped
T01 >> 1462343432.56495690 DistributedAtomicCorrection (408.07830s) started
T01 << 1462343433.86048698 DistributedAtomicCorrection (409.37383s) stopped
T01 >> 1462343433.86055303 Distribute overlap matrix (356.60347s) started
T01 >> 1462343433.86057591 blocked summation (338.25589s) started
T01 << 1462343434.95363307 blocked summation (339.34895s) stopped
T01 >> 1462343434.95514989 Scalapack redistribute (17.91128s) started
T01 << 1462343435.01497102 Scalapack redistribute (17.97110s) stopped
T01 << 1462343435.01504898 Distribute overlap matrix (357.75797s) stopped
T01 >> 1462343435.01561499 Blacs Orbital Layouts (844.02846s) started
T01 >> 1462343435.01679611 General diagonalize (827.30366s) started
T01 << 1462343437.71193600 General diagonalize (829.99880s) stopped
T01 >> 1462343437.71199989 Redistribute coefs (0.87002s) started
T01 << 1462343437.71566200 Redistribute coefs (0.87368s) stopped
T01 >> 1462343437.71570897 Send coefs to domains (15.39954s) started
T01 << 1462343437.76442194 Send coefs to domains (15.44826s) stopped
T01 << 1462343437.76447797 Blacs Orbital Layouts (846.77733s) stopped
T01 >> 1462343437.76453400 Calculate projections (777.45805s) started
T01 << 1462343440.26643300 Calculate projections (779.95995s) stopped
T01 << 1462343440.26651597 LCAO eigensolver (2472.91228s) stopped
T01 >> 1462343440.26724005 Density (607.42735s) started
T01 >> 1462343440.26725292 Pseudo density (502.20021s) started
T01 >> 1462343440.26777411 Calculate density matrix (451.86500s) started
T01 << 1462343441.82464695 Calculate density matrix (453.42187s) stopped
T01 >> 1462343441.82474303 Construct density (49.64680s) started
T01 << 1462343441.99818110 Construct density (49.82023s) stopped
T01 >> 1462343441.99959302 Symmetrize density (0.01248s) started
T01 << 1462343441.99962592 Symmetrize density (0.01252s) stopped
T01 << 1462343442.00006294 Pseudo density (503.93302s) stopped
T01 >> 1462343442.00008297 Atomic density matrices (69.61521s) started
T01 << 1462343442.23905611 Atomic density matrices (69.85419s) stopped
T01 >> 1462343442.23909712 Multipole moments (1.12642s) started
T01 << 1462343442.24293804 Multipole moments (1.13026s) stopped
T01 >> 1462343442.24296093 Normalize (0.30398s) started
T01 << 1462343442.24415803 Normalize (0.30518s) stopped
T01 >> 1462343442.24419594 Mix (34.16262s) started
T01 << 1462343442.36330009 Mix (34.28173s) stopped
T01 << 1462343442.36338592 Density (609.52349s) stopped
T01 >> 1462343442.36346102 Hamiltonian (6890.44956s) started
T01 >> 1462343442.36347795 vbar (3.72983s) started
T01 << 1462343442.38021898 vbar (3.74657s) stopped
T01 >> 1462343442.38033295 XC 3D grid (2989.15125s) started
T01 >> 1462343442.55591011 van der Waals (2884.31327s) started
T01 >> 1462343442.60032010 semilocal (655.16416s) started
T01 << 1462343444.80671692 semilocal (657.37056s) stopped
T01 >> 1462343444.83995891 redistribute (327.08539s) started
T01 << 1462343445.23556995 redistribute (327.48100s) stopped
T01 >> 1462343445.23563290 libvdwxc nonlocal (1880.19394s) started
T01 << 1462343451.94348311 libvdwxc nonlocal (1886.90179s) stopped
T01 >> 1462343451.94356203 redistribute (327.48104s) started
T01 << 1462343452.58941197 redistribute (328.12689s) stopped
T01 << 1462343452.59063292 van der Waals (2894.34800s) stopped
T01 << 1462343452.77396798 XC 3D grid (2999.54488s) stopped
T01 >> 1462343452.77401710 Poisson (630.10708s) started
T01 << 1462343454.55783510 Poisson (631.89090s) stopped
T01 >> 1462343454.55790710 Hartree integrate/restrict (23.57565s) started
T01 << 1462343454.57686996 Hartree integrate/restrict (23.59461s) stopped
T01 >> 1462343454.57693696 Hartree integrate/restrict (23.59466s) started
T01 << 1462343454.63913798 Hartree integrate/restrict (23.65686s) stopped
T01 >> 1462343454.65896201 Atomic (1836.22994s) started
T01 >> 1462343454.66915202 XC Correction (1832.50340s) started
T01 << 1462343460.94413805 XC Correction (1838.77839s) stopped
T01 << 1462343460.94726706 Atomic (1842.51825s) stopped
T01 >> 1462343460.94741297 Communicate (1401.23349s) started
T01 << 1462343465.98388290 Communicate (1406.26996s) stopped
T01 << 1462343465.98391104 Hamiltonian (6914.07001s) stopped
T01 >> 1462343465.98400807 LCAO eigensolver (2472.91229s) started
T01 >> 1462343465.98402190 Potential matrix (78.78602s) started
T01 << 1462343466.24067211 Potential matrix (79.04267s) stopped
T01 >> 1462343466.24074507 DistributedAtomicCorrection (409.37386s) started
T01 << 1462343467.52100205 DistributedAtomicCorrection (410.65412s) stopped
T01 >> 1462343467.52106905 Distribute overlap matrix (357.75798s) started
T01 >> 1462343467.52109194 blocked summation (339.34899s) started
T01 << 1462343468.63060188 blocked summation (340.45850s) stopped
T01 >> 1462343468.63210297 Scalapack redistribute (17.97114s) started
T01 << 1462343468.69129896 Scalapack redistribute (18.03033s) stopped
T01 << 1462343468.69137812 Distribute overlap matrix (358.92829s) stopped
T01 >> 1462343468.69194508 Blacs Orbital Layouts (846.77734s) started
T01 >> 1462343468.69312811 General diagonalize (829.99884s) started
T01 << 1462343471.39791989 General diagonalize (832.70363s) stopped
T01 >> 1462343471.39798498 Redistribute coefs (0.87372s) started
T01 << 1462343471.40160608 Redistribute coefs (0.87734s) stopped
T01 >> 1462343471.40165305 Send coefs to domains (15.44830s) started
T01 << 1462343471.45076203 Send coefs to domains (15.49741s) stopped
T01 << 1462343471.45082307 Blacs Orbital Layouts (849.53622s) stopped
T01 >> 1462343471.45092511 Calculate projections (779.96001s) started
T01 << 1462343473.95265889 Calculate projections (782.46174s) stopped
T01 << 1462343473.95274091 LCAO eigensolver (2480.88102s) stopped
T01 >> 1462343473.95348001 Density (609.52351s) started
T01 >> 1462343473.95349312 Pseudo density (503.93304s) started
T01 >> 1462343473.95401406 Calculate density matrix (453.42192s) started
T01 << 1462343475.51185393 Calculate density matrix (454.97976s) stopped
T01 >> 1462343475.51194406 Construct density (49.82027s) started
T01 << 1462343475.68457007 Construct density (49.99289s) stopped
T01 >> 1462343475.68600106 Symmetrize density (0.01253s) started
T01 << 1462343475.68603492 Symmetrize density (0.01256s) stopped
T01 << 1462343475.68646598 Pseudo density (505.66601s) stopped
T01 >> 1462343475.68648601 Atomic density matrices (69.85421s) started
T01 << 1462343475.92712402 Atomic density matrices (70.09485s) stopped
T01 >> 1462343475.92716408 Multipole moments (1.13028s) started
T01 << 1462343475.93101811 Multipole moments (1.13413s) stopped
T01 >> 1462343475.93104100 Normalize (0.30520s) started
T01 << 1462343475.93223310 Normalize (0.30639s) stopped
T01 >> 1462343475.93226910 Mix (34.28181s) started
T01 << 1462343476.05432010 Mix (34.40386s) stopped
T01 << 1462343476.05439496 Density (611.62442s) stopped
T01 >> 1462343476.05448008 Hamiltonian (6914.07002s) started
T01 >> 1462343476.05450010 vbar (3.74664s) started
T01 << 1462343476.07081795 vbar (3.76296s) stopped
T01 >> 1462343476.07088399 XC 3D grid (2999.54492s) started
T01 >> 1462343476.24315000 van der Waals (2894.34804s) started
T01 >> 1462343476.28736401 semilocal (657.37067s) started
T01 << 1462343478.49787092 semilocal (659.58118s) stopped
T01 >> 1462343478.53064489 redistribute (328.12695s) started
T01 << 1462343478.92917991 redistribute (328.52548s) stopped
T01 >> 1462343478.92924404 libvdwxc nonlocal (1886.90184s) started
T01 << 1462343485.64456606 libvdwxc nonlocal (1893.61716s) stopped
T01 >> 1462343485.64464688 redistribute (328.52552s) started
T01 << 1462343486.29229689 redistribute (329.17317s) stopped
T01 << 1462343486.29351902 van der Waals (2904.39841s) stopped
T01 << 1462343486.47266698 XC 3D grid (3009.94670s) stopped
T01 >> 1462343486.47273207 Poisson (631.89095s) started
T01 << 1462343488.25206494 Poisson (633.67028s) stopped
T01 >> 1462343488.25219011 Hartree integrate/restrict (23.65690s) started
T01 << 1462343488.27126503 Hartree integrate/restrict (23.67597s) stopped
T01 >> 1462343488.27136993 Hartree integrate/restrict (23.67604s) started
T01 << 1462343488.33269095 Hartree integrate/restrict (23.73736s) stopped
T01 >> 1462343488.35514593 Atomic (1842.51826s) started
T01 >> 1462343488.36527395 XC Correction (1838.77841s) started
T01 << 1462343494.63800502 XC Correction (1845.05114s) stopped
T01 << 1462343494.64113593 Atomic (1848.80425s) stopped
T01 >> 1462343494.64128590 Communicate (1406.26998s) started
T01 << 1462343499.48834896 Communicate (1411.11705s) stopped
T01 << 1462343499.48838210 Hamiltonian (6937.50392s) stopped
T01 >> 1462343499.48849893 LCAO eigensolver (2480.88104s) started
T01 >> 1462343499.48851299 Potential matrix (79.04271s) started
T01 << 1462343499.74884510 Potential matrix (79.30304s) stopped
T01 >> 1462343499.74891996 DistributedAtomicCorrection (410.65416s) started
T01 << 1462343501.04167509 DistributedAtomicCorrection (411.94691s) stopped
T01 >> 1462343501.04174209 Distribute overlap matrix (358.92830s) started
T01 >> 1462343501.04176497 blocked summation (340.45854s) started
T01 << 1462343502.12898993 blocked summation (341.54577s) stopped
T01 >> 1462343502.13047504 Scalapack redistribute (18.03037s) started
T01 << 1462343502.19042206 Scalapack redistribute (18.09031s) stopped
T01 << 1462343502.19050097 Distribute overlap matrix (360.07706s) stopped
T01 >> 1462343502.19106102 Blacs Orbital Layouts (849.53627s) started
T01 >> 1462343502.19223595 General diagonalize (832.70367s) started
T01 << 1462343504.91222405 General diagonalize (835.42366s) stopped
T01 >> 1462343504.91228700 Redistribute coefs (0.87738s) started
T01 << 1462343504.91591311 Redistribute coefs (0.88100s) stopped
T01 >> 1462343504.91595888 Send coefs to domains (15.49746s) started
T01 << 1462343504.96562004 Send coefs to domains (15.54712s) stopped
T01 << 1462343504.96567988 Blacs Orbital Layouts (852.31089s) stopped
T01 >> 1462343504.96573591 Calculate projections (782.46180s) started
T01 << 1462343507.46747708 Calculate projections (784.96354s) stopped
T01 << 1462343507.46755791 LCAO eigensolver (2488.86010s) stopped
T01 >> 1462343507.46831393 Density (611.62444s) started
T01 >> 1462343507.46832705 Pseudo density (505.66603s) started
T01 >> 1462343507.46884394 Calculate density matrix (454.97981s) started
T01 << 1462343509.03633809 Calculate density matrix (456.54730s) stopped
T01 >> 1462343509.03642106 Construct density (49.99293s) started
T01 << 1462343509.20943689 Construct density (50.16595s) stopped
T01 >> 1462343509.21086311 Symmetrize density (0.01257s) started
T01 << 1462343509.21089792 Symmetrize density (0.01261s) stopped
T01 << 1462343509.21132708 Pseudo density (507.40903s) stopped
T01 >> 1462343509.21134710 Atomic density matrices (70.09488s) started
T01 << 1462343509.45165801 Atomic density matrices (70.33519s) stopped
T01 >> 1462343509.45170093 Multipole moments (1.13415s) started
T01 << 1462343509.45552206 Multipole moments (1.13797s) stopped
T01 >> 1462343509.45554495 Normalize (0.30642s) started
T01 << 1462343509.45674205 Normalize (0.30762s) stopped
T01 >> 1462343509.45677805 Mix (34.40393s) started
T01 << 1462343509.57612705 Mix (34.52328s) stopped
T01 << 1462343509.57621193 Density (613.73234s) stopped
T01 >> 1462343509.57629108 Hamiltonian (6937.50394s) started
T01 >> 1462343509.57630992 vbar (3.76300s) started
T01 << 1462343509.59328294 vbar (3.77997s) stopped
T01 >> 1462343509.59340405 XC 3D grid (3009.94676s) started
T01 >> 1462343509.76993394 van der Waals (2904.39845s) started
T01 >> 1462343509.81543112 semilocal (659.58128s) started
T01 << 1462343512.04796600 semilocal (661.81381s) stopped
T01 >> 1462343512.08290911 redistribute (329.17321s) started
T01 << 1462343512.46233296 redistribute (329.55264s) stopped
T01 >> 1462343512.46239591 libvdwxc nonlocal (1893.61722s) started
T01 << 1462343519.14786100 libvdwxc nonlocal (1900.30268s) stopped
T01 >> 1462343519.14794207 redistribute (329.55267s) started
T01 << 1462343519.79410291 redistribute (330.19884s) stopped
T01 << 1462343519.79522491 van der Waals (2914.42374s) stopped
T01 << 1462343519.97634101 XC 3D grid (3020.32969s) stopped
T01 >> 1462343519.97639108 Poisson (633.67038s) started
T01 << 1462343521.75817800 Poisson (635.45217s) stopped
T01 >> 1462343521.75824904 Hartree integrate/restrict (23.73740s) started
T01 << 1462343521.77694106 Hartree integrate/restrict (23.75609s) stopped
T01 >> 1462343521.77700400 Hartree integrate/restrict (23.75614s) started
T01 << 1462343521.83994102 Hartree integrate/restrict (23.81907s) stopped
T01 >> 1462343521.85688210 Atomic (1848.80427s) started
T01 >> 1462343521.86703706 XC Correction (1845.05117s) started
T01 << 1462343528.13043094 XC Correction (1851.31456s) stopped
T01 << 1462343528.13357997 Atomic (1855.08097s) stopped
T01 >> 1462343528.13373208 Communicate (1411.11707s) started
T01 << 1462343533.00038600 Communicate (1415.98372s) stopped
T01 << 1462343533.00041389 Hamiltonian (6960.92806s) stopped
T01 >> 1462343533.00050998 LCAO eigensolver (2488.86011s) started
T01 >> 1462343533.00052404 Potential matrix (79.30308s) started
T01 << 1462343533.25739908 Potential matrix (79.55995s) stopped
T01 >> 1462343533.25747204 DistributedAtomicCorrection (411.94695s) started
T01 << 1462343534.54500389 DistributedAtomicCorrection (413.23448s) stopped
T01 >> 1462343534.54507208 Distribute overlap matrix (360.07707s) started
T01 >> 1462343534.54509497 blocked summation (341.54581s) started
T01 << 1462343535.66080308 blocked summation (342.66152s) stopped
T01 >> 1462343535.66225600 Scalapack redistribute (18.09035s) started
T01 << 1462343535.72232604 Scalapack redistribute (18.15042s) stopped
T01 << 1462343535.72240591 Distribute overlap matrix (361.25441s) stopped
T01 >> 1462343535.72300410 Blacs Orbital Layouts (852.31091s) started
T01 >> 1462343535.72435498 General diagonalize (835.42370s) started
T01 << 1462343538.43958902 General diagonalize (838.13893s) stopped
T01 >> 1462343538.43965101 Redistribute coefs (0.88104s) started
T01 << 1462343538.44222307 Redistribute coefs (0.88361s) stopped
T01 >> 1462343538.44230390 Send coefs to domains (15.54717s) started
T01 << 1462343538.49258709 Send coefs to domains (15.59745s) stopped
T01 << 1462343538.49293208 Blacs Orbital Layouts (855.08083s) stopped
T01 >> 1462343538.49299407 Calculate projections (784.96359s) started
T01 << 1462343540.99450302 Calculate projections (787.46510s) stopped
T01 << 1462343540.99458408 LCAO eigensolver (2496.85418s) stopped
T01 >> 1462343540.99531603 Density (613.73235s) started
T01 >> 1462343540.99532795 Pseudo density (507.40904s) started
T01 >> 1462343540.99584699 Calculate density matrix (456.54734s) started
T01 << 1462343542.54782510 Calculate density matrix (458.09932s) stopped
T01 >> 1462343542.54791594 Construct density (50.16598s) started
T01 << 1462343542.72139096 Construct density (50.33946s) stopped
T01 >> 1462343542.72279501 Symmetrize density (0.01262s) started
T01 << 1462343542.72282791 Symmetrize density (0.01265s) stopped
T01 << 1462343542.72325802 Pseudo density (509.13697s) stopped
T01 >> 1462343542.72327709 Atomic density matrices (70.33522s) started
T01 << 1462343542.96246505 Atomic density matrices (70.57441s) stopped
T01 >> 1462343542.96250606 Multipole moments (1.13799s) started
T01 << 1462343542.96636391 Multipole moments (1.14184s) stopped
T01 >> 1462343542.96638703 Normalize (0.30764s) started
T01 << 1462343542.96757507 Normalize (0.30883s) stopped
T01 >> 1462343542.96761107 Mix (34.52336s) started
T01 << 1462343543.08799195 Mix (34.64375s) stopped
T01 << 1462343543.08809996 Density (615.82514s) stopped
T01 >> 1462343543.08818293 Hamiltonian (6960.92807s) started
T01 >> 1462343543.08820200 vbar (3.78004s) started
T01 << 1462343543.10444593 vbar (3.79628s) stopped
T01 >> 1462343543.10454607 XC 3D grid (3020.32973s) started
T01 >> 1462343543.27769208 van der Waals (2914.42379s) started
T01 >> 1462343543.32225895 semilocal (661.81388s) started
T01 << 1462343545.53858495 semilocal (664.03021s) stopped
T01 >> 1462343545.57234406 redistribute (330.19888s) started
T01 << 1462343545.96998310 redistribute (330.59652s) stopped
T01 >> 1462343545.97004604 libvdwxc nonlocal (1900.30274s) started
T01 << 1462343552.69529009 libvdwxc nonlocal (1907.02798s) stopped
T01 >> 1462343552.69537091 redistribute (330.59656s) started
T01 << 1462343553.34659004 redistribute (331.24778s) stopped
T01 << 1462343553.34780097 van der Waals (2924.49390s) stopped
T01 << 1462343553.52863693 XC 3D grid (3030.75382s) stopped
T01 >> 1462343553.52868795 Poisson (635.45222s) started
T01 << 1462343555.31055307 Poisson (637.23409s) stopped
T01 >> 1462343555.31063890 Hartree integrate/restrict (23.81911s) started
T01 << 1462343555.33007598 Hartree integrate/restrict (23.83855s) stopped
T01 >> 1462343555.33012605 Hartree integrate/restrict (23.83858s) started
T01 << 1462343555.39131689 Hartree integrate/restrict (23.89977s) stopped
T01 >> 1462343555.41416001 Atomic (1855.08099s) started
T01 >> 1462343555.42428088 XC Correction (1851.31458s) started
T01 << 1462343561.69834399 XC Correction (1857.58865s) stopped
T01 << 1462343561.70147491 Atomic (1861.36830s) stopped
T01 >> 1462343561.70162606 Communicate (1415.98374s) started
T01 << 1462343566.81419706 Communicate (1421.09631s) stopped
T01 << 1462343566.81422496 Hamiltonian (6984.65411s) stopped
T01 >> 1462343566.81432390 LCAO eigensolver (2496.85420s) started
T01 >> 1462343566.81433797 Potential matrix (79.55999s) started
T01 << 1462343567.07036209 Potential matrix (79.81602s) stopped
T01 >> 1462343567.07043600 DistributedAtomicCorrection (413.23452s) started
T01 << 1462343568.36639190 DistributedAtomicCorrection (414.53048s) stopped
T01 >> 1462343568.36645699 Distribute overlap matrix (361.25445s) started
T01 >> 1462343568.36648011 blocked summation (342.66156s) started
T01 << 1462343569.46612811 blocked summation (343.76121s) stopped
T01 >> 1462343569.46758008 Scalapack redistribute (18.15046s) started
T01 << 1462343569.52637410 Scalapack redistribute (18.20925s) stopped
T01 << 1462343569.52645397 Distribute overlap matrix (362.41444s) stopped
T01 >> 1462343569.52701807 Blacs Orbital Layouts (855.08085s) started
T01 >> 1462343569.52841902 General diagonalize (838.13897s) started
T01 << 1462343572.22629309 General diagonalize (840.83684s) stopped
T01 >> 1462343572.22635603 Redistribute coefs (0.88365s) started
T01 << 1462343572.22901607 Redistribute coefs (0.88631s) stopped
T01 >> 1462343572.22909594 Send coefs to domains (15.59749s) started
T01 << 1462343572.27954793 Send coefs to domains (15.64795s) stopped
T01 << 1462343572.27985191 Blacs Orbital Layouts (857.83369s) stopped
T01 >> 1462343572.27990603 Calculate projections (787.46515s) started
T01 << 1462343574.78149700 Calculate projections (789.96674s) stopped
T01 << 1462343574.78157496 LCAO eigensolver (2504.82145s) stopped
T01 >> 1462343574.78231096 Density (615.82515s) started
T01 >> 1462343574.78232408 Pseudo density (509.13698s) started
T01 >> 1462343574.78283310 Calculate density matrix (458.09937s) started
T01 << 1462343576.33718109 Calculate density matrix (459.65371s) stopped
T01 >> 1462343576.33726811 Construct density (50.33949s) started
T01 << 1462343576.50996208 Construct density (50.51219s) stopped
T01 >> 1462343576.51138091 Symmetrize density (0.01266s) started
T01 << 1462343576.51141500 Symmetrize density (0.01270s) stopped
T01 << 1462343576.51185703 Pseudo density (510.86652s) stopped
T01 >> 1462343576.51187801 Atomic density matrices (70.57444s) started
T01 << 1462343576.75229502 Atomic density matrices (70.81485s) stopped
T01 >> 1462343576.75233603 Multipole moments (1.14186s) started
T01 << 1462343576.75619602 Multipole moments (1.14572s) stopped
T01 >> 1462343576.75621891 Normalize (0.30886s) started
T01 << 1462343576.75740695 Normalize (0.31004s) stopped
T01 >> 1462343576.75744200 Mix (34.64385s) started
T01 << 1462343576.87908006 Mix (34.76549s) stopped
T01 << 1462343576.87913203 Density (617.92197s) stopped
T01 >> 1462343576.87921500 Hamiltonian (6984.65413s) started
T01 >> 1462343576.87923408 vbar (3.79634s) started
T01 << 1462343576.89547205 vbar (3.81258s) stopped
T01 >> 1462343576.89553690 XC 3D grid (3030.75386s) started
T01 >> 1462343577.06716800 van der Waals (2924.49395s) started
T01 >> 1462343577.10995412 semilocal (664.03028s) started
T01 << 1462343579.30978298 semilocal (666.23011s) stopped
T01 >> 1462343579.34354997 redistribute (331.24783s) started
T01 << 1462343579.74675488 redistribute (331.65103s) stopped
T01 >> 1462343579.74681807 libvdwxc nonlocal (1907.02803s) started
T01 << 1462343586.44850492 libvdwxc nonlocal (1913.72972s) stopped
T01 >> 1462343586.44858003 redistribute (331.65107s) started
T01 << 1462343587.09695506 redistribute (332.29945s) stopped
T01 << 1462343587.09811497 van der Waals (2934.52490s) stopped
T01 << 1462343587.27985501 XC 3D grid (3041.13818s) stopped
T01 >> 1462343587.27991891 Poisson (637.23415s) started
T01 << 1462343588.48021293 Poisson (638.43445s) stopped
T01 >> 1462343588.48032308 Hartree integrate/restrict (23.89980s) started
T01 << 1462343588.49937606 Hartree integrate/restrict (23.91886s) stopped
T01 >> 1462343588.49947095 Hartree integrate/restrict (23.91892s) started
T01 << 1462343588.56617904 Hartree integrate/restrict (23.98563s) stopped
T01 >> 1462343588.58388996 Atomic (1861.36832s) started
T01 >> 1462343588.59396696 XC Correction (1857.58867s) started
T01 << 1462343594.87700701 XC Correction (1863.87171s) stopped
T01 << 1462343594.88013697 Atomic (1867.66456s) stopped
T01 >> 1462343594.88028598 Communicate (1421.09633s) started
T01 << 1462343600.13465405 Communicate (1426.35070s) stopped
T01 << 1462343600.13468790 Hamiltonian (7007.90960s) stopped
T01 >> 1462343600.13478208 LCAO eigensolver (2504.82146s) started
T01 >> 1462343600.13479590 Potential matrix (79.81606s) started
T01 << 1462343600.39227295 Potential matrix (80.07353s) stopped
T01 >> 1462343600.39238310 DistributedAtomicCorrection (414.53051s) started
T01 << 1462343601.68832493 DistributedAtomicCorrection (415.82646s) stopped
T01 >> 1462343601.68839192 Distribute overlap matrix (362.41445s) started
T01 >> 1462343601.68841410 blocked summation (343.76125s) started
T01 << 1462343602.76658201 blocked summation (344.83942s) stopped
T01 >> 1462343602.76803803 Scalapack redistribute (18.20929s) started
T01 << 1462343602.82775307 Scalapack redistribute (18.26900s) stopped
T01 << 1462343602.82783389 Distribute overlap matrix (363.55390s) stopped
T01 >> 1462343602.82839704 Blacs Orbital Layouts (857.83371s) started
T01 >> 1462343602.83052897 General diagonalize (840.83688s) started
T01 << 1462343605.52813101 General diagonalize (843.53449s) stopped
T01 >> 1462343605.52819300 Redistribute coefs (0.88634s) started
T01 << 1462343605.53080010 Redistribute coefs (0.88895s) stopped
T01 >> 1462343605.53084707 Send coefs to domains (15.64799s) started
T01 << 1462343605.58249402 Send coefs to domains (15.69963s) stopped
T01 << 1462343605.58303094 Blacs Orbital Layouts (860.58834s) stopped
T01 >> 1462343605.58308601 Calculate projections (789.96680s) started
T01 << 1462343608.08471608 Calculate projections (792.46843s) stopped
T01 << 1462343608.08479595 LCAO eigensolver (2512.77148s) stopped
T01 << 1462343608.08555508 SCF-cycle (10138.85519s) stopped
T01 >> 1462343608.95164204 Force calculation (407.47623s) started
T01 >> 1462343608.95170403 LCAO forces (260.90959s) started
T01 >> 1462343608.95205498 Initial (0.00031s) started
T01 << 1462343608.95206594 Initial (0.00032s) stopped
T01 >> 1462343608.95627499 Get density matrix (50.46892s) started
T01 << 1462343609.55654001 Get density matrix (51.06918s) stopped
T01 >> 1462343609.55661798 Potential (18.80576s) started
T01 << 1462343610.93617892 Potential (20.18532s) stopped
T01 >> 1462343610.93624306 Get density matrix (51.06922s) started
T01 << 1462343614.14308405 Get density matrix (54.27606s) stopped
T01 >> 1462343614.14322090 Prepare TCI loop (26.39085s) started
T01 >> 1462343614.14369798 Get neighbors (22.85953s) started
T01 << 1462343615.94898295 Get neighbors (24.66482s) stopped
T01 >> 1462343615.94921398 broadcast dH (3.52189s) started
T01 << 1462343615.96446609 broadcast dH (3.53715s) stopped
T01 << 1462343615.96451092 Prepare TCI loop (28.21214s) stopped
T01 >> 1462343615.96452904 Not so complicated loop (36.46866s) started
T01 << 1462343618.77902603 Not so complicated loop (39.28316s) stopped
T01 >> 1462343618.90345097 Complicated loop (127.05259s) started
T01 << 1462343628.38102102 Complicated loop (136.53016s) stopped
T01 >> 1462343628.40108395 Wait for sum (0.00074s) started
T01 << 1462343628.40113592 Wait for sum (0.00079s) stopped
T01 << 1462343628.40115094 LCAO forces (280.35904s) stopped
T01 << 1462343640.09980011 Force calculation (438.62439s) stopped
T01 >> 1462343640.11761189 Initialization (746.88567s) started
T01 << 1462343640.11780190 Initialization (746.88586s) stopped
T01 >> 1462343640.11805606 Initialization (746.88588s) started
T01 << 1462343640.11818600 Initialization (746.88601s) stopped
T01 >> 1462343640.11831689 Initialization (746.88603s) started
T01 << 1462343640.11844492 Initialization (746.88615s) stopped
T01 >> 1462343660.46208692 Initialization (746.88617s) started
T01 >> 1462343660.52050304 Basic WFS set positions (1.43240s) started
T01 >> 1462343660.52053189 Redistribute (0.03219s) started
T01 << 1462343660.52539110 Redistribute (0.03705s) stopped
T01 << 1462343660.61781693 Basic WFS set positions (1.52972s) stopped
T01 >> 1462343660.61785007 Basis functions set positions (6.32511s) started
T01 << 1462343661.02255988 Basis functions set positions (6.72982s) stopped
T01 >> 1462343661.02343106 TCI: Calculate S, T, P (221.11811s) started
T01 << 1462343676.10959792 TCI: Calculate S, T, P (236.20427s) stopped
T01 >> 1462343676.10968304 blocked summation (61.01040s) started
T01 << 1462343679.59401989 blocked summation (64.49473s) stopped
T01 >> 1462343679.59536695 Scalapack redistribute (3.10175s) started
T01 << 1462343679.65813899 Scalapack redistribute (3.16452s) stopped
T01 >> 1462343679.65844202 blocked summation (64.49480s) started
T01 << 1462343679.82857895 blocked summation (64.66494s) stopped
T01 >> 1462343679.83031702 Scalapack redistribute (3.16456s) started
T01 << 1462343680.03312397 Scalapack redistribute (3.36737s) stopped
T01 >> 1462343680.03467107 Redistribute (0.02771s) started
T01 << 1462343680.03569007 Redistribute (0.02873s) stopped
T01 >> 1462343680.92873812 Redistribute (0.02874s) started
T01 << 1462343680.92998695 Redistribute (0.02999s) stopped
T01 >> 1462343680.94067407 LCAO WFS Initialize (437.10764s) started
T01 >> 1462343680.94070411 Density initialize from wavefunctions (16.84197s) started
T01 >> 1462343680.94111896 Calculate density matrix (9.82424s) started
T01 << 1462343681.64000201 Calculate density matrix (10.52312s) stopped
T01 >> 1462343681.64006805 Construct density (2.37147s) started
T01 << 1462343681.81455207 Construct density (2.54595s) stopped
T01 >> 1462343681.81619096 Symmetrize density (0.00058s) started
T01 << 1462343681.81622291 Symmetrize density (0.00061s) stopped
T01 << 1462343682.15318203 Density initialize from wavefunctions (18.05444s) stopped
T01 >> 1462343682.15379596 Hamiltonian (420.06246s) started
T01 >> 1462343682.15383196 vbar (0.19503s) started
T01 << 1462343682.16984296 vbar (0.21104s) stopped
T01 >> 1462343682.16991305 XC 3D grid (152.45253s) started
T01 >> 1462343682.34889197 van der Waals (147.11673s) started
T01 >> 1462343682.39248705 semilocal (33.35808s) started
T01 << 1462343684.61458397 semilocal (35.58018s) stopped
T01 >> 1462343684.64556003 redistribute (16.68114s) started
T01 << 1462343685.02669907 redistribute (17.06228s) stopped
T01 >> 1462343685.02675104 libvdwxc nonlocal (95.96850s) started
T01 << 1462343691.75208092 libvdwxc nonlocal (102.69383s) stopped
T01 >> 1462343691.75215411 redistribute (17.06232s) started
T01 << 1462343692.39463210 redistribute (17.70479s) stopped
T01 << 1462343692.39584208 van der Waals (157.16368s) stopped
T01 << 1462343692.57797098 XC 3D grid (162.86059s) stopped
T01 >> 1462343692.57801604 Poisson (71.97201s) started
T01 << 1462343697.32894301 Poisson (76.72294s) stopped
T01 >> 1462343697.32901311 Hartree integrate/restrict (1.19542s) started
T01 << 1462343697.34778500 Hartree integrate/restrict (1.21419s) stopped
T01 >> 1462343697.34785008 Hartree integrate/restrict (1.21424s) started
T01 << 1462343697.41044688 Hartree integrate/restrict (1.27683s) stopped
T01 >> 1462343697.42769504 Atomic (99.01607s) started
T01 >> 1462343697.43816710 XC Correction (98.82380s) started
T01 << 1462343704.07677197 XC Correction (105.46241s) stopped
T01 << 1462343704.07995296 Atomic (105.66833s) stopped
T01 >> 1462343704.08021593 Communicate (94.88204s) started
T01 << 1462343709.96107006 Communicate (100.76290s) stopped
T01 << 1462343709.96111202 Hamiltonian (447.86978s) stopped
T01 << 1462343709.96117210 LCAO WFS Initialize (466.12814s) stopped
T01 << 1462343709.97378492 Initialization (796.39787s) stopped
T01 >> 1462343709.99900389 SCF-cycle (10138.85520s) started
T01 >> 1462343709.99904394 LCAO eigensolver (2512.77149s) started
T01 >> 1462343709.99905705 Potential matrix (80.07361s) started
T01 << 1462343710.25862789 Potential matrix (80.33318s) stopped
T01 >> 1462343710.25870895 DistributedAtomicCorrection (415.82649s) started
T01 << 1462343711.57939911 DistributedAtomicCorrection (417.14718s) stopped
T01 >> 1462343711.57946491 Distribute overlap matrix (363.55391s) started
T01 >> 1462343711.57948899 blocked summation (344.83946s) started
T01 << 1462343712.65936804 blocked summation (345.91934s) stopped
T01 >> 1462343712.66088104 Scalapack redistribute (18.26904s) started
T01 << 1462343712.71925592 Scalapack redistribute (18.32741s) stopped
T01 << 1462343712.71933198 Distribute overlap matrix (364.69378s) stopped
T01 >> 1462343712.71989989 Blacs Orbital Layouts (860.58836s) started
T01 >> 1462343712.72102189 General diagonalize (843.53452s) started
T01 << 1462343715.45944190 General diagonalize (846.27294s) stopped
T01 >> 1462343715.45949292 Redistribute coefs (0.88898s) started
T01 << 1462343715.46258998 Redistribute coefs (0.89208s) stopped
T01 >> 1462343715.46263409 Send coefs to domains (15.69968s) started
T01 << 1462343715.51240492 Send coefs to domains (15.74945s) stopped
T01 << 1462343715.51245999 Blacs Orbital Layouts (863.38092s) stopped
T01 >> 1462343715.51248407 Calculate projections (792.46848s) started
T01 << 1462343718.03585196 Calculate projections (794.99185s) stopped
T01 << 1462343718.03593111 LCAO eigensolver (2520.80838s) stopped
T01 >> 1462343718.03675890 Density (617.92199s) started
T01 >> 1462343718.03677201 Pseudo density (510.86653s) started
T01 >> 1462343718.03717589 Calculate density matrix (459.65375s) started
T01 << 1462343719.56930900 Calculate density matrix (461.18589s) stopped
T01 >> 1462343719.56937504 Construct density (50.51222s) started
T01 << 1462343719.74439001 Construct density (50.68724s) stopped
T01 >> 1462343719.74600506 Symmetrize density (0.01271s) started
T01 << 1462343719.74603701 Symmetrize density (0.01274s) stopped
T01 << 1462343719.74650311 Pseudo density (512.57626s) stopped
T01 >> 1462343719.74652290 Atomic density matrices (70.81488s) started
T01 << 1462343719.98655200 Atomic density matrices (71.05491s) stopped
T01 >> 1462343719.98659301 Multipole moments (1.14573s) started
T01 << 1462343719.99044609 Multipole moments (1.14959s) stopped
T01 >> 1462343719.99046803 Normalize (0.31007s) started
T01 << 1462343719.99152398 Normalize (0.31113s) stopped
T01 >> 1462343719.99155688 Mix (34.76554s) started
T01 << 1462343720.09582305 Mix (34.86980s) stopped
T01 << 1462343720.09590697 Density (619.98114s) stopped
T01 >> 1462343720.09598804 Hamiltonian (7007.90961s) started
T01 >> 1462343720.09600592 vbar (3.81262s) started
T01 << 1462343720.11295009 vbar (3.82956s) stopped
T01 >> 1462343720.11306310 XC 3D grid (3041.13823s) started
T01 >> 1462343720.28849792 van der Waals (2934.52494s) started
T01 >> 1462343720.33310604 semilocal (666.23025s) started
T01 << 1462343722.55865312 semilocal (668.45580s) stopped
T01 >> 1462343722.59181595 redistribute (332.29949s) started
T01 << 1462343722.97349095 redistribute (332.68117s) stopped
T01 >> 1462343722.97355700 libvdwxc nonlocal (1913.72977s) started
T01 << 1462343729.67688298 libvdwxc nonlocal (1920.43310s) stopped
T01 >> 1462343729.67693996 redistribute (332.68120s) started
T01 << 1462343730.32023096 redistribute (333.32449s) stopped
T01 << 1462343730.32160807 van der Waals (2944.55805s) stopped
T01 << 1462343730.50229096 XC 3D grid (3051.52746s) stopped
T01 >> 1462343730.50235009 Poisson (638.43453s) started
T01 << 1462343732.90469790 Poisson (640.83688s) stopped
T01 >> 1462343732.90481806 Hartree integrate/restrict (23.98568s) started
T01 << 1462343732.92372489 Hartree integrate/restrict (24.00459s) stopped
T01 >> 1462343732.92387104 Hartree integrate/restrict (24.00469s) started
T01 << 1462343732.98644590 Hartree integrate/restrict (24.06727s) stopped
T01 >> 1462343733.00929499 Atomic (1867.66458s) started
T01 >> 1462343733.01936793 XC Correction (1863.87174s) started
T01 << 1462343739.68162107 XC Correction (1870.53399s) stopped
T01 << 1462343739.68470597 Atomic (1874.33999s) stopped
T01 >> 1462343739.68485689 Communicate (1426.35072s) started
T01 << 1462343744.97002912 Communicate (1431.63590s) stopped
T01 << 1462343744.97005796 Hamiltonian (7032.78368s) stopped
T01 >> 1462343744.97014904 LCAO eigensolver (2520.80839s) started
T01 >> 1462343744.97016311 Potential matrix (80.33323s) started
T01 << 1462343745.22970891 Potential matrix (80.59277s) stopped
T01 >> 1462343745.22978497 DistributedAtomicCorrection (417.14722s) started
T01 << 1462343746.54763699 DistributedAtomicCorrection (418.46507s) stopped
T01 >> 1462343746.54770589 Distribute overlap matrix (364.69379s) started
T01 >> 1462343746.54772902 blocked summation (345.91938s) started
T01 << 1462343747.63297606 blocked summation (347.00463s) stopped
T01 >> 1462343747.63447690 Scalapack redistribute (18.32745s) started
T01 << 1462343747.69087911 Scalapack redistribute (18.38385s) stopped
T01 << 1462343747.69095492 Distribute overlap matrix (365.83704s) stopped
T01 >> 1462343747.69152594 Blacs Orbital Layouts (863.38093s) started
T01 >> 1462343747.69270301 General diagonalize (846.27298s) started
T01 << 1462343750.42845893 General diagonalize (849.00874s) stopped
T01 >> 1462343750.42852592 Redistribute coefs (0.89211s) started
T01 << 1462343750.43166804 Redistribute coefs (0.89526s) stopped
T01 >> 1462343750.43174601 Send coefs to domains (15.74949s) started
T01 << 1462343750.48185897 Send coefs to domains (15.79960s) stopped
T01 << 1462343750.48191190 Blacs Orbital Layouts (866.17132s) stopped
T01 >> 1462343750.48195601 Calculate projections (794.99190s) started
T01 << 1462343753.00524807 Calculate projections (797.51519s) stopped
T01 << 1462343753.00532889 LCAO eigensolver (2528.84357s) stopped
T01 >> 1462343753.00600696 Density (619.98115s) started
T01 >> 1462343753.00601912 Pseudo density (512.57628s) started
T01 >> 1462343753.00642490 Calculate density matrix (461.18593s) started
T01 << 1462343754.53841710 Calculate density matrix (462.71792s) stopped
T01 >> 1462343754.53848004 Construct density (50.68727s) started
T01 << 1462343754.71316791 Construct density (50.86196s) stopped
T01 >> 1462343754.71459198 Symmetrize density (0.01275s) started
T01 << 1462343754.71462607 Symmetrize density (0.01279s) stopped
T01 << 1462343754.71509099 Pseudo density (514.28535s) stopped
T01 >> 1462343754.71511102 Atomic density matrices (71.05494s) started
T01 << 1462343754.95434403 Atomic density matrices (71.29417s) stopped
T01 >> 1462343754.95438504 Multipole moments (1.14960s) started
T01 << 1462343754.95817494 Multipole moments (1.15339s) stopped
T01 >> 1462343754.95819902 Normalize (0.31115s) started
T01 << 1462343754.95925689 Normalize (0.31221s) stopped
T01 >> 1462343754.95929408 Mix (34.86988s) started
T01 << 1462343755.06761599 Mix (34.97821s) stopped
T01 << 1462343755.06766796 Density (622.04282s) stopped
T01 >> 1462343755.06774998 Hamiltonian (7032.78369s) started
T01 >> 1462343755.06776810 vbar (3.82963s) started
T01 << 1462343755.08461690 vbar (3.84647s) stopped
T01 >> 1462343755.08468890 XC 3D grid (3051.52750s) started
T01 >> 1462343755.26510406 van der Waals (2944.55810s) started
T01 >> 1462343755.31033802 semilocal (668.45588s) started
T01 << 1462343757.55674696 semilocal (670.70229s) stopped
T01 >> 1462343757.58694196 redistribute (333.32454s) started
T01 << 1462343757.95570707 redistribute (333.69330s) stopped
T01 >> 1462343757.95577312 libvdwxc nonlocal (1920.43314s) started
T01 << 1462343764.64177394 libvdwxc nonlocal (1927.11914s) stopped
T01 >> 1462343764.64184594 redistribute (333.69334s) started
T01 << 1462343765.28618908 redistribute (334.33768s) stopped
T01 << 1462343765.28740501 van der Waals (2954.58040s) stopped
T01 << 1462343765.46777105 XC 3D grid (3061.91059s) stopped
T01 >> 1462343765.46782899 Poisson (640.83697s) started
T01 << 1462343767.86138201 Poisson (643.23053s) stopped
T01 >> 1462343767.86148190 Hartree integrate/restrict (24.06730s) started
T01 << 1462343767.88053012 Hartree integrate/restrict (24.08635s) stopped
T01 >> 1462343767.88067794 Hartree integrate/restrict (24.08645s) started
T01 << 1462343767.94331098 Hartree integrate/restrict (24.14909s) stopped
T01 >> 1462343767.96313095 Atomic (1874.34001s) started
T01 >> 1462343767.97317290 XC Correction (1870.53401s) started
T01 << 1462343774.39022708 XC Correction (1876.95107s) stopped
T01 << 1462343774.39330602 Atomic (1880.77018s) stopped
T01 >> 1462343774.39345503 Communicate (1431.63591s) started
T01 << 1462343779.19510508 Communicate (1436.43756s) stopped
T01 << 1462343779.19513297 Hamiltonian (7056.91108s) stopped
T01 >> 1462343779.19522905 LCAO eigensolver (2528.84359s) started
T01 >> 1462343779.19524193 Potential matrix (80.59281s) started
T01 << 1462343779.45275903 Potential matrix (80.85033s) stopped
T01 >> 1462343779.45283294 DistributedAtomicCorrection (418.46511s) started
T01 << 1462343780.77686095 DistributedAtomicCorrection (419.78914s) stopped
T01 >> 1462343780.77692604 Distribute overlap matrix (365.83705s) started
T01 >> 1462343780.77694893 blocked summation (347.00467s) started
T01 << 1462343781.85811710 blocked summation (348.08584s) stopped
T01 >> 1462343781.85961103 Scalapack redistribute (18.38389s) started
T01 << 1462343781.91736603 Scalapack redistribute (18.44164s) stopped
T01 << 1462343781.91743994 Distribute overlap matrix (366.97756s) stopped
T01 >> 1462343781.91801310 Blacs Orbital Layouts (866.17133s) started
T01 >> 1462343781.91908193 General diagonalize (849.00878s) started
T01 << 1462343784.64369202 General diagonalize (851.73339s) stopped
T01 >> 1462343784.64375591 Redistribute coefs (0.89529s) started
T01 << 1462343784.64692903 Redistribute coefs (0.89846s) stopped
T01 >> 1462343784.64700603 Send coefs to domains (15.79964s) started
T01 << 1462343784.69716311 Send coefs to domains (15.84980s) stopped
T01 << 1462343784.69721889 Blacs Orbital Layouts (868.95054s) stopped
T01 >> 1462343784.69726300 Calculate projections (797.51525s) started
T01 << 1462343787.22062993 Calculate projections (800.03861s) stopped
T01 << 1462343787.22071505 LCAO eigensolver (2536.86907s) stopped
T01 >> 1462343787.22144008 Density (622.04283s) started
T01 >> 1462343787.22145295 Pseudo density (514.28537s) started
T01 >> 1462343787.22186303 Calculate density matrix (462.71796s) started
T01 << 1462343788.75795889 Calculate density matrix (464.25406s) stopped
T01 >> 1462343788.75804710 Construct density (50.86199s) started
T01 << 1462343788.93298697 Construct density (51.03693s) stopped
T01 >> 1462343788.93441796 Symmetrize density (0.01280s) started
T01 << 1462343788.93444991 Symmetrize density (0.01283s) stopped
T01 << 1462343788.93492007 Pseudo density (515.99883s) stopped
T01 >> 1462343788.93494010 Atomic density matrices (71.29420s) started
T01 << 1462343789.17253208 Atomic density matrices (71.53179s) stopped
T01 >> 1462343789.17257309 Multipole moments (1.15341s) started
T01 << 1462343789.17637992 Multipole moments (1.15721s) stopped
T01 >> 1462343789.17640209 Normalize (0.31223s) started
T01 << 1462343789.17743707 Normalize (0.31327s) stopped
T01 >> 1462343789.17747211 Mix (34.97825s) started
T01 << 1462343789.29093289 Mix (35.09172s) stopped
T01 << 1462343789.29102898 Density (624.11242s) stopped
T01 >> 1462343789.29110909 Hamiltonian (7056.91109s) started
T01 >> 1462343789.29112792 vbar (3.84651s) started
T01 << 1462343789.30752993 vbar (3.86291s) stopped
T01 >> 1462343789.30763602 XC 3D grid (3061.91063s) started
T01 >> 1462343789.48450899 van der Waals (2954.58045s) started
T01 >> 1462343789.52828002 semilocal (670.70234s) started
T01 << 1462343791.74262404 semilocal (672.91669s) stopped
T01 >> 1462343791.77408504 redistribute (334.33773s) started
T01 << 1462343792.15784788 redistribute (334.72149s) stopped
T01 >> 1462343792.15791297 libvdwxc nonlocal (1927.11920s) started
T01 << 1462343798.87122512 libvdwxc nonlocal (1933.83251s) stopped
T01 >> 1462343798.87130690 redistribute (334.72153s) started
T01 << 1462343799.51392198 redistribute (335.36414s) stopped
T01 << 1462343799.51495910 van der Waals (2964.61090s) stopped
T01 << 1462343799.69730592 XC 3D grid (3072.30030s) stopped
T01 >> 1462343799.69735003 Poisson (643.23060s) started
T01 << 1462343802.08610392 Poisson (645.61936s) stopped
T01 >> 1462343802.08617711 Hartree integrate/restrict (24.14913s) started
T01 << 1462343802.10509992 Hartree integrate/restrict (24.16805s) stopped
T01 >> 1462343802.10516596 Hartree integrate/restrict (24.16810s) started
T01 << 1462343802.16772389 Hartree integrate/restrict (24.23065s) stopped
T01 >> 1462343802.18520308 Atomic (1880.77020s) started
T01 >> 1462343802.19518590 XC Correction (1876.95109s) started
T01 << 1462343808.61903501 XC Correction (1883.37494s) stopped
T01 << 1462343808.62211299 Atomic (1887.20711s) stopped
T01 >> 1462343808.62226391 Communicate (1436.43758s) started
T01 << 1462343813.03967500 Communicate (1440.85499s) stopped
T01 << 1462343813.03970098 Hamiltonian (7080.65968s) stopped
T01 >> 1462343813.03979301 LCAO eigensolver (2536.86909s) started
T01 >> 1462343813.03980589 Potential matrix (80.85037s) started
T01 << 1462343813.29871988 Potential matrix (81.10928s) stopped
T01 >> 1462343813.29879498 DistributedAtomicCorrection (419.78918s) started
T01 << 1462343814.61940098 DistributedAtomicCorrection (421.10978s) stopped
T01 >> 1462343814.61946607 Distribute overlap matrix (366.97757s) started
T01 >> 1462343814.61948800 blocked summation (348.08588s) started
T01 << 1462343815.69729304 blocked summation (349.16368s) stopped
T01 >> 1462343815.69880199 Scalapack redistribute (18.44168s) started
T01 << 1462343815.75609398 Scalapack redistribute (18.49897s) stopped
T01 << 1462343815.75616908 Distribute overlap matrix (368.11428s) stopped
T01 >> 1462343815.75673294 Blacs Orbital Layouts (868.95055s) started
T01 >> 1462343815.75791311 General diagonalize (851.73343s) started
T01 << 1462343818.48450303 General diagonalize (854.46002s) stopped
T01 >> 1462343818.48456907 Redistribute coefs (0.89850s) started
T01 << 1462343818.48742104 Redistribute coefs (0.90135s) stopped
T01 >> 1462343818.48749804 Send coefs to domains (15.84985s) started
T01 << 1462343818.53758001 Send coefs to domains (15.89993s) stopped
T01 << 1462343818.53763294 Blacs Orbital Layouts (871.73145s) stopped
T01 >> 1462343818.53767705 Calculate projections (800.03867s) started
T01 << 1462343821.06095409 Calculate projections (802.56195s) stopped
T01 << 1462343821.06103301 LCAO eigensolver (2544.89033s) stopped
T01 >> 1462343821.06196189 Density (624.11244s) started
T01 >> 1462343821.06197500 Pseudo density (515.99885s) started
T01 >> 1462343821.06237602 Calculate density matrix (464.25411s) started
T01 << 1462343822.58410811 Calculate density matrix (465.77584s) stopped
T01 >> 1462343822.58419299 Construct density (51.03697s) started
T01 << 1462343822.75922203 Construct density (51.21200s) stopped
T01 >> 1462343822.76083803 Symmetrize density (0.01284s) started
T01 << 1462343822.76086903 Symmetrize density (0.01287s) stopped
T01 << 1462343822.76133204 Pseudo density (517.69820s) stopped
T01 >> 1462343822.76135206 Atomic density matrices (71.53182s) started
T01 << 1462343822.99806905 Atomic density matrices (71.76854s) stopped
T01 >> 1462343822.99811101 Multipole moments (1.15723s) started
T01 << 1462343823.00191808 Multipole moments (1.16104s) stopped
T01 >> 1462343823.00194097 Normalize (0.31329s) started
T01 << 1462343823.00298691 Normalize (0.31434s) stopped
T01 >> 1462343823.00302196 Mix (35.09181s) started
T01 << 1462343823.11678290 Mix (35.20557s) stopped
T01 << 1462343823.11688304 Density (626.16736s) stopped
T01 >> 1462343823.11697793 Hamiltonian (7080.65969s) started
T01 >> 1462343823.11699796 vbar (3.86297s) started
T01 << 1462343823.13411808 vbar (3.88009s) stopped
T01 >> 1462343823.13424706 XC 3D grid (3072.30034s) started
T01 >> 1462343823.31348991 van der Waals (2964.61095s) started
T01 >> 1462343823.35851908 semilocal (672.91677s) started
T01 << 1462343825.57905412 semilocal (675.13730s) stopped
T01 >> 1462343825.61080790 redistribute (335.36418s) started
T01 << 1462343825.99106908 redistribute (335.74445s) stopped
T01 >> 1462343825.99113297 libvdwxc nonlocal (1933.83257s) started
T01 << 1462343832.70665312 libvdwxc nonlocal (1940.54809s) stopped
T01 >> 1462343832.70677090 redistribute (335.74448s) started
T01 << 1462343833.35292196 redistribute (336.39063s) stopped
T01 << 1462343833.35412192 van der Waals (2974.65158s) stopped
T01 << 1462343833.53577495 XC 3D grid (3082.70186s) stopped
T01 >> 1462343833.53584504 Poisson (645.61941s) started
T01 << 1462343835.33838892 Poisson (647.42195s) stopped
T01 >> 1462343835.33852100 Hartree integrate/restrict (24.23069s) started
T01 << 1462343835.35712504 Hartree integrate/restrict (24.24929s) stopped
T01 >> 1462343835.35727096 Hartree integrate/restrict (24.24939s) started
T01 << 1462343835.42540503 Hartree integrate/restrict (24.31752s) stopped
T01 >> 1462343835.43816590 Atomic (1887.20713s) started
T01 >> 1462343835.44818306 XC Correction (1883.37496s) started
T01 << 1462343841.89721489 XC Correction (1889.82400s) stopped
T01 << 1462343841.90033102 Atomic (1893.66929s) stopped
T01 >> 1462343841.90048003 Communicate (1440.85501s) started
T01 << 1462343846.30399990 Communicate (1445.25853s) stopped
T01 << 1462343846.30405498 Hamiltonian (7103.84677s) stopped
T01 >> 1462343846.30414796 LCAO eigensolver (2544.89034s) started
T01 >> 1462343846.30416203 Potential matrix (81.10932s) started
T01 << 1462343846.56369400 Potential matrix (81.36886s) stopped
T01 >> 1462343846.56376791 DistributedAtomicCorrection (421.10982s) started
T01 << 1462343847.87571192 DistributedAtomicCorrection (422.42177s) stopped
T01 >> 1462343847.87577796 Distribute overlap matrix (368.11429s) started
T01 >> 1462343847.87580204 blocked summation (349.16373s) started
T01 << 1462343848.97291493 blocked summation (350.26084s) stopped
T01 >> 1462343848.97439694 Scalapack redistribute (18.49901s) started
T01 << 1462343849.03452611 Scalapack redistribute (18.55913s) stopped
T01 << 1462343849.03460193 Distribute overlap matrix (369.27311s) stopped
T01 >> 1462343849.03521109 Blacs Orbital Layouts (871.73146s) started
T01 >> 1462343849.03740406 General diagonalize (854.46005s) started
T01 << 1462343851.77374792 General diagonalize (857.19640s) stopped
T01 >> 1462343851.77381301 Redistribute coefs (0.90138s) started
T01 << 1462343851.77702594 Redistribute coefs (0.90460s) stopped
T01 >> 1462343851.77707410 Send coefs to domains (15.89997s) started
T01 << 1462343851.82809591 Send coefs to domains (15.95099s) stopped
T01 << 1462343851.82867098 Blacs Orbital Layouts (874.52492s) stopped
T01 >> 1462343851.82872295 Calculate projections (802.56200s) started
T01 << 1462343854.35186005 Calculate projections (805.08514s) stopped
T01 << 1462343854.35194206 LCAO eigensolver (2552.93813s) stopped
T01 >> 1462343854.35269809 Density (626.16737s) started
T01 >> 1462343854.35271096 Pseudo density (517.69822s) started
T01 >> 1462343854.35311198 Calculate density matrix (465.77588s) started
T01 << 1462343855.88758993 Calculate density matrix (467.31036s) stopped
T01 >> 1462343855.88768196 Construct density (51.21204s) started
T01 << 1462343856.06233501 Construct density (51.38669s) stopped
T01 >> 1462343856.06377411 Symmetrize density (0.01289s) started
T01 << 1462343856.06380606 Symmetrize density (0.01292s) stopped
T01 << 1462343856.06426907 Pseudo density (519.40978s) stopped
T01 >> 1462343856.06428790 Atomic density matrices (71.76857s) started
T01 << 1462343856.30181599 Atomic density matrices (72.00609s) stopped
T01 >> 1462343856.30185604 Multipole moments (1.16105s) started
T01 << 1462343856.30567598 Multipole moments (1.16487s) stopped
T01 >> 1462343856.30569911 Normalize (0.31436s) started
T01 << 1462343856.30675602 Normalize (0.31542s) stopped
T01 >> 1462343856.30679107 Mix (35.20566s) started
T01 << 1462343856.42530107 Mix (35.32417s) stopped
T01 << 1462343856.42539096 Density (628.24007s) stopped
T01 >> 1462343856.42546797 Hamiltonian (7103.84678s) started
T01 >> 1462343856.42548609 vbar (3.88017s) started
T01 << 1462343856.44233108 vbar (3.89702s) stopped
T01 >> 1462343856.44242811 XC 3D grid (3082.70192s) started
T01 >> 1462343856.62128711 van der Waals (2974.65163s) started
T01 >> 1462343856.66583490 semilocal (675.13737s) started
T01 << 1462343858.89717293 semilocal (677.36871s) stopped
T01 >> 1462343858.92891002 redistribute (336.39068s) started
T01 << 1462343859.30011106 redistribute (336.76188s) stopped
T01 >> 1462343859.30017710 libvdwxc nonlocal (1940.54817s) started
T01 << 1462343865.99103594 libvdwxc nonlocal (1947.23903s) stopped
T01 >> 1462343865.99111199 redistribute (336.76192s) started
T01 << 1462343866.64891696 redistribute (337.41972s) stopped
T01 << 1462343866.65032506 van der Waals (2984.68067s) stopped
T01 << 1462343866.82564902 XC 3D grid (3093.08514s) stopped
T01 >> 1462343866.82570195 Poisson (647.42206s) started
T01 << 1462343869.79712510 Poisson (650.39348s) stopped
T01 >> 1462343869.79719996 Hartree integrate/restrict (24.31755s) started
T01 << 1462343869.81603694 Hartree integrate/restrict (24.33639s) stopped
T01 >> 1462343869.81608200 Hartree integrate/restrict (24.33642s) started
T01 << 1462343869.87901306 Hartree integrate/restrict (24.39935s) stopped
T01 >> 1462343869.89876699 Atomic (1893.66931s) started
T01 >> 1462343869.90886903 XC Correction (1889.82402s) started
T01 << 1462343876.38125801 XC Correction (1896.29641s) stopped
T01 << 1462343876.38435197 Atomic (1900.15490s) stopped
T01 >> 1462343876.38450408 Communicate (1445.25857s) started
T01 << 1462343880.88667202 Communicate (1449.76074s) stopped
T01 << 1462343880.88669991 Hamiltonian (7128.30802s) stopped
T01 >> 1462343880.88679409 LCAO eigensolver (2552.93815s) started
T01 >> 1462343880.88680792 Potential matrix (81.36890s) started
T01 << 1462343881.14560699 Potential matrix (81.62770s) stopped
T01 >> 1462343881.14568210 DistributedAtomicCorrection (422.42180s) started
T01 << 1462343882.46782398 DistributedAtomicCorrection (423.74395s) stopped
T01 >> 1462343882.46788907 Distribute overlap matrix (369.27312s) started
T01 >> 1462343882.46791196 blocked summation (350.26088s) started
T01 << 1462343883.52826190 blocked summation (351.32123s) stopped
T01 >> 1462343883.53000093 Scalapack redistribute (18.55917s) started
T01 << 1462343883.58855796 Scalapack redistribute (18.61773s) stopped
T01 << 1462343883.58863497 Distribute overlap matrix (370.39387s) stopped
T01 >> 1462343883.58922100 Blacs Orbital Layouts (874.52494s) started
T01 >> 1462343883.59066200 General diagonalize (857.19644s) started
T01 << 1462343886.30562091 General diagonalize (859.91140s) stopped
T01 >> 1462343886.30569100 Redistribute coefs (0.90463s) started
T01 << 1462343886.30942988 Redistribute coefs (0.90837s) stopped
T01 >> 1462343886.30947709 Send coefs to domains (15.95103s) started
T01 << 1462343886.35922003 Send coefs to domains (16.00077s) stopped
T01 << 1462343886.35953498 Blacs Orbital Layouts (877.29525s) stopped
T01 >> 1462343886.35958290 Calculate projections (805.08519s) started
T01 << 1462343888.88281989 Calculate projections (807.60843s) stopped
T01 << 1462343888.88309789 LCAO eigensolver (2560.93445s) stopped
T01 >> 1462343888.88383794 Density (628.24008s) started
T01 >> 1462343888.88385105 Pseudo density (519.40979s) started
T01 >> 1462343888.88425493 Calculate density matrix (467.31040s) started
T01 << 1462343890.42228007 Calculate density matrix (468.84843s) stopped
T01 >> 1462343890.42236805 Construct density (51.38673s) started
T01 << 1462343890.59731793 Construct density (51.56168s) stopped
T01 >> 1462343890.59968591 Symmetrize density (0.01293s) started
T01 << 1462343890.59971809 Symmetrize density (0.01296s) stopped
T01 << 1462343890.60017896 Pseudo density (521.12612s) stopped
T01 >> 1462343890.60019898 Atomic density matrices (72.00612s) started
T01 << 1462343890.83655190 Atomic density matrices (72.24247s) stopped
T01 >> 1462343890.83659291 Multipole moments (1.16489s) started
T01 << 1462343890.84039903 Multipole moments (1.16869s) stopped
T01 >> 1462343890.84042192 Normalize (0.31545s) started
T01 << 1462343890.84146595 Normalize (0.31649s) stopped
T01 >> 1462343890.84150195 Mix (35.32426s) started
T01 << 1462343890.96313691 Mix (35.44590s) stopped
T01 << 1462343890.96323705 Density (630.31948s) stopped
T01 >> 1462343890.96332908 Hamiltonian (7128.30803s) started
T01 >> 1462343890.96334910 vbar (3.89707s) started
T01 << 1462343890.97946501 vbar (3.91319s) stopped
T01 >> 1462343890.97953391 XC 3D grid (3093.08518s) started
T01 >> 1462343891.15092611 van der Waals (2984.68072s) started
T01 >> 1462343891.19456196 semilocal (677.36879s) started
T01 << 1462343893.42352104 semilocal (679.59775s) stopped
T01 >> 1462343893.45594597 redistribute (337.41978s) started
T01 << 1462343893.84178805 redistribute (337.80562s) stopped
T01 >> 1462343893.84185195 libvdwxc nonlocal (1947.23908s) started
T01 << 1462343900.53901792 libvdwxc nonlocal (1953.93625s) stopped
T01 >> 1462343900.53909302 redistribute (337.80566s) started
T01 << 1462343901.19658399 redistribute (338.46315s) stopped
T01 << 1462343901.19779611 van der Waals (2994.72759s) stopped
T01 << 1462343901.37135005 XC 3D grid (3103.47700s) stopped
T01 >> 1462343901.37139702 Poisson (650.39353s) started
T01 << 1462343904.34081101 Poisson (653.36295s) stopped
T01 >> 1462343904.34090304 Hartree integrate/restrict (24.39938s) started
T01 << 1462343904.36011600 Hartree integrate/restrict (24.41859s) stopped
T01 >> 1462343904.36018491 Hartree integrate/restrict (24.41864s) started
T01 << 1462343904.42303801 Hartree integrate/restrict (24.48149s) stopped
T01 >> 1462343904.44516301 Atomic (1900.15492s) started
T01 >> 1462343904.45542502 XC Correction (1896.29643s) started
T01 << 1462343910.99700809 XC Correction (1902.83802s) stopped
T01 << 1462343911.00013709 Atomic (1906.70989s) stopped
T01 >> 1462343911.00028491 Communicate (1449.76076s) started
T01 << 1462343915.49727607 Communicate (1454.25775s) stopped
T01 << 1462343915.49730301 Hamiltonian (7152.84200s) stopped
T01 >> 1462343915.49739790 LCAO eigensolver (2560.93447s) started
T01 >> 1462343915.49741101 Potential matrix (81.62773s) started
T01 << 1462343915.75850892 Potential matrix (81.88883s) stopped
T01 >> 1462343915.75858402 DistributedAtomicCorrection (423.74398s) started
T01 << 1462343917.09581995 DistributedAtomicCorrection (425.08122s) stopped
T01 >> 1462343917.09588599 Distribute overlap matrix (370.39388s) started
T01 >> 1462343917.09590912 blocked summation (351.32127s) started
T01 << 1462343918.14446306 blocked summation (352.36983s) stopped
T01 >> 1462343918.14636803 Scalapack redistribute (18.61776s) started
T01 << 1462343918.20553899 Scalapack redistribute (18.67693s) stopped
T01 << 1462343918.20561695 Distribute overlap matrix (371.50361s) stopped
T01 >> 1462343918.20619202 Blacs Orbital Layouts (877.29527s) started
T01 >> 1462343918.20743299 General diagonalize (859.91144s) started
T01 << 1462343920.91597295 General diagonalize (862.61998s) stopped
T01 >> 1462343920.91603804 Redistribute coefs (0.90841s) started
T01 << 1462343920.91973996 Redistribute coefs (0.91211s) stopped
T01 >> 1462343920.91978693 Send coefs to domains (16.00082s) started
T01 << 1462343920.96937394 Send coefs to domains (16.05040s) stopped
T01 << 1462343920.96964788 Blacs Orbital Layouts (880.05872s) stopped
T01 >> 1462343920.96970010 Calculate projections (807.60849s) started
T01 << 1462343923.49302697 Calculate projections (810.13181s) stopped
T01 << 1462343923.49330592 LCAO eigensolver (2568.93038s) stopped
T01 >> 1462343923.49420404 Density (630.31950s) started
T01 >> 1462343923.49421692 Pseudo density (521.12613s) started
T01 >> 1462343923.49462104 Calculate density matrix (468.84847s) started
T01 << 1462343925.03729105 Calculate density matrix (470.39114s) stopped
T01 >> 1462343925.03738689 Construct density (51.56171s) started
T01 << 1462343925.21248388 Construct density (51.73681s) stopped
T01 >> 1462343925.21495008 Symmetrize density (0.01297s) started
T01 << 1462343925.21498394 Symmetrize density (0.01301s) stopped
T01 << 1462343925.21544790 Pseudo density (522.84736s) stopped
T01 >> 1462343925.21546698 Atomic density matrices (72.24250s) started
T01 << 1462343925.45312905 Atomic density matrices (72.48017s) stopped
T01 >> 1462343925.45316911 Multipole moments (1.16871s) started
T01 << 1462343925.45698309 Multipole moments (1.17252s) stopped
T01 >> 1462343925.45700598 Normalize (0.31652s) started
T01 << 1462343925.45804691 Normalize (0.31756s) stopped
T01 >> 1462343925.45808005 Mix (35.44599s) started
T01 << 1462343925.57777190 Mix (35.56568s) stopped
T01 << 1462343925.57781601 Density (632.40311s) stopped
T01 >> 1462343925.57789493 Hamiltonian (7152.84202s) started
T01 >> 1462343925.57791495 vbar (3.91323s) started
T01 << 1462343925.59500599 vbar (3.93032s) stopped
T01 >> 1462343925.59510493 XC 3D grid (3103.47703s) started
T01 >> 1462343925.77535105 van der Waals (2994.72769s) started
T01 >> 1462343925.81989694 semilocal (679.59785s) started
T01 << 1462343928.04217696 semilocal (681.82013s) stopped
T01 >> 1462343928.07383990 redistribute (338.46321s) started
T01 << 1462343928.45212197 redistribute (338.84149s) stopped
T01 >> 1462343928.45218897 libvdwxc nonlocal (1953.93630s) started
T01 << 1462343935.14116192 libvdwxc nonlocal (1960.62527s) stopped
T01 >> 1462343935.14124799 redistribute (338.84153s) started
T01 << 1462343935.79700804 redistribute (339.49729s) stopped
T01 << 1462343935.79862404 van der Waals (3004.75096s) stopped
T01 << 1462343935.97841597 XC 3D grid (3113.86035s) stopped
T01 >> 1462343935.97846508 Poisson (653.36302s) started
T01 << 1462343938.37077308 Poisson (655.75533s) stopped
T01 >> 1462343938.37084389 Hartree integrate/restrict (24.48153s) started
T01 << 1462343938.38983393 Hartree integrate/restrict (24.50052s) stopped
T01 >> 1462343938.38989496 Hartree integrate/restrict (24.50056s) started
T01 << 1462343938.45321393 Hartree integrate/restrict (24.56388s) stopped
T01 >> 1462343938.47018003 Atomic (1906.70991s) started
T01 >> 1462343938.48039889 XC Correction (1902.83804s) started
T01 << 1462343945.03707910 XC Correction (1909.39472s) stopped
T01 << 1462343945.04021311 Atomic (1913.27994s) stopped
T01 >> 1462343945.04036403 Communicate (1454.25777s) started
T01 << 1462343949.47957301 Communicate (1458.69698s) stopped
T01 << 1462343949.47959995 Hamiltonian (7176.74372s) stopped
T01 >> 1462343949.47969508 LCAO eigensolver (2568.93040s) started
T01 >> 1462343949.47970891 Potential matrix (81.88887s) started
T01 << 1462343949.73682809 Potential matrix (82.14599s) stopped
T01 >> 1462343949.73690391 DistributedAtomicCorrection (425.08126s) started
T01 << 1462343951.06191397 DistributedAtomicCorrection (426.40627s) stopped
T01 >> 1462343951.06197906 Distribute overlap matrix (371.50363s) started
T01 >> 1462343951.06200099 blocked summation (352.36987s) started
T01 << 1462343952.13571596 blocked summation (353.44358s) stopped
T01 >> 1462343952.13809299 Scalapack redistribute (18.67697s) started
T01 << 1462343952.19856095 Scalapack redistribute (18.73744s) stopped
T01 << 1462343952.19864011 Distribute overlap matrix (372.64029s) stopped
T01 >> 1462343952.19922495 Blacs Orbital Layouts (880.05874s) started
T01 >> 1462343952.20050097 General diagonalize (862.62002s) started
T01 << 1462343954.92135501 General diagonalize (865.34087s) stopped
T01 >> 1462343954.92142010 Redistribute coefs (0.91215s) started
T01 << 1462343954.92449594 Redistribute coefs (0.91522s) stopped
T01 >> 1462343954.92454410 Send coefs to domains (16.05045s) started
T01 << 1462343954.97470093 Send coefs to domains (16.10060s) stopped
T01 << 1462343954.97501493 Blacs Orbital Layouts (882.83453s) stopped
T01 >> 1462343954.97507501 Calculate projections (810.13187s) started
T01 << 1462343957.49807191 Calculate projections (812.65486s) stopped
T01 << 1462343957.49850297 LCAO eigensolver (2576.94921s) stopped
T01 >> 1462343957.49924302 Density (632.40313s) started
T01 >> 1462343957.49925590 Pseudo density (522.84738s) started
T01 >> 1462343957.49966598 Calculate density matrix (470.39119s) started
T01 << 1462343959.03998399 Calculate density matrix (471.93151s) stopped
T01 >> 1462343959.04007411 Construct density (51.73684s) started
T01 << 1462343959.21476412 Construct density (51.91153s) stopped
T01 >> 1462343959.21710992 Symmetrize density (0.01302s) started
T01 << 1462343959.21714306 Symmetrize density (0.01305s) stopped
T01 << 1462343959.21760297 Pseudo density (524.56573s) stopped
T01 >> 1462343959.21762300 Atomic density matrices (72.48019s) started
T01 << 1462343959.45539689 Atomic density matrices (72.71797s) stopped
T01 >> 1462343959.45543694 Multipole moments (1.17254s) started
T01 << 1462343959.45933509 Multipole moments (1.17644s) stopped
T01 >> 1462343959.45935798 Normalize (0.31758s) started
T01 << 1462343959.46039796 Normalize (0.31862s) stopped
T01 >> 1462343959.46043301 Mix (35.56572s) started
T01 << 1462343959.58108497 Mix (35.68638s) stopped
T01 << 1462343959.58114600 Density (634.48503s) stopped
T01 >> 1462343959.58122897 Hamiltonian (7176.74373s) started
T01 >> 1462343959.58124900 vbar (3.93038s) started
T01 << 1462343959.59804511 vbar (3.94717s) stopped
T01 >> 1462343959.59810710 XC 3D grid (3113.86038s) started
T01 >> 1462343959.77525210 van der Waals (3004.75106s) started
T01 >> 1462343959.82076597 semilocal (681.82021s) started
T01 << 1462343962.06643295 semilocal (684.06588s) stopped
T01 >> 1462343962.09630799 redistribute (339.49736s) started
T01 << 1462343962.46664906 redistribute (339.86771s) stopped
T01 >> 1462343962.46674395 libvdwxc nonlocal (1960.62533s) started
T01 << 1462343969.16175199 libvdwxc nonlocal (1967.32034s) stopped
T01 >> 1462343969.16181302 redistribute (339.86777s) started
T01 << 1462343969.82141304 redistribute (340.52737s) stopped
T01 << 1462343969.82266402 van der Waals (3014.79848s) stopped
T01 << 1462343969.99536204 XC 3D grid (3124.25764s) stopped
T01 >> 1462343969.99542308 Poisson (655.75538s) started
T01 << 1462343971.79610610 Poisson (657.55606s) stopped
T01 >> 1462343971.79620504 Hartree integrate/restrict (24.56391s) started
T01 << 1462343971.81482100 Hartree integrate/restrict (24.58253s) stopped
T01 >> 1462343971.81496906 Hartree integrate/restrict (24.58264s) started
T01 << 1462343971.87689090 Hartree integrate/restrict (24.64456s) stopped
T01 >> 1462343971.90080595 Atomic (1913.27996s) started
T01 >> 1462343971.91104507 XC Correction (1909.39474s) started
T01 << 1462343978.41729093 XC Correction (1915.90099s) stopped
T01 << 1462343978.42042303 Atomic (1919.79957s) stopped
T01 >> 1462343978.42057490 Communicate (1458.69700s) started
T01 << 1462343983.01248097 Communicate (1463.28890s) stopped
T01 << 1462343983.01251006 Hamiltonian (7200.17501s) stopped
T01 >> 1462343983.01260495 LCAO eigensolver (2576.94922s) started
T01 >> 1462343983.01261806 Potential matrix (82.14603s) started
T01 << 1462343983.27087498 Potential matrix (82.40429s) stopped
T01 >> 1462343983.27095008 DistributedAtomicCorrection (426.40630s) started
T01 << 1462343984.60268211 DistributedAtomicCorrection (427.73804s) stopped
T01 >> 1462343984.60274792 Distribute overlap matrix (372.64030s) started
T01 >> 1462343984.60277009 blocked summation (353.44362s) started
T01 << 1462343985.66437507 blocked summation (354.50522s) stopped
T01 >> 1462343985.66621304 Scalapack redistribute (18.73748s) started
T01 << 1462343985.72626996 Scalapack redistribute (18.79753s) stopped
T01 << 1462343985.72635007 Distribute overlap matrix (373.76390s) stopped
T01 >> 1462343985.72693801 Blacs Orbital Layouts (882.83455s) started
T01 >> 1462343985.72810197 General diagonalize (865.34091s) started
T01 << 1462343988.43251395 General diagonalize (868.04532s) stopped
T01 >> 1462343988.43257904 Redistribute coefs (0.91526s) started
T01 << 1462343988.43628192 Redistribute coefs (0.91896s) stopped
T01 >> 1462343988.43633103 Send coefs to domains (16.10065s) started
T01 << 1462343988.48594189 Send coefs to domains (16.15026s) stopped
T01 << 1462343988.48628712 Blacs Orbital Layouts (885.59390s) stopped
T01 >> 1462343988.48633790 Calculate projections (812.65492s) started
T01 << 1462343991.00956392 Calculate projections (815.17814s) stopped
T01 << 1462343991.00984311 LCAO eigensolver (2584.94646s) stopped
T01 >> 1462343991.01056600 Density (634.48504s) started
T01 >> 1462343991.01057911 Pseudo density (524.56574s) started
T01 >> 1462343991.01099110 Calculate density matrix (471.93155s) started
T01 << 1462343992.55117702 Calculate density matrix (473.47174s) stopped
T01 >> 1462343992.55126905 Construct density (51.91157s) started
T01 << 1462343992.72618389 Construct density (52.08648s) stopped
T01 >> 1462343992.72798991 Symmetrize density (0.01306s) started
T01 << 1462343992.72802305 Symmetrize density (0.01310s) stopped
T01 << 1462343992.72848105 Pseudo density (526.28364s) stopped
T01 >> 1462343992.72849989 Atomic density matrices (72.71799s) started
T01 << 1462343992.96671796 Atomic density matrices (72.95621s) stopped
T01 >> 1462343992.96675897 Multipole moments (1.17645s) started
T01 << 1462343992.97065091 Multipole moments (1.18034s) stopped
T01 >> 1462343992.97067499 Normalize (0.31865s) started
T01 << 1462343992.97172999 Normalize (0.31970s) stopped
T01 >> 1462343992.97176409 Mix (35.68643s) started
T01 << 1462343993.09396100 Mix (35.80863s) stopped
T01 << 1462343993.09404898 Density (636.56853s) stopped
T01 >> 1462343993.09413409 Hamiltonian (7200.17502s) started
T01 >> 1462343993.09415197 vbar (3.94721s) started
T01 << 1462343993.11023307 vbar (3.96329s) stopped
T01 >> 1462343993.11030602 XC 3D grid (3124.25768s) started
T01 >> 1462343993.29027009 van der Waals (3014.79853s) started
T01 >> 1462343993.33435202 semilocal (684.06595s) started
T01 << 1462343995.56808305 semilocal (686.29968s) stopped
T01 >> 1462343995.59881091 redistribute (340.52743s) started
T01 << 1462343995.97053909 redistribute (340.89915s) stopped
T01 >> 1462343995.97060394 libvdwxc nonlocal (1967.32037s) started
T01 << 1462344002.65737605 libvdwxc nonlocal (1974.00715s) stopped
T01 >> 1462344002.65745497 redistribute (340.89919s) started
T01 << 1462344003.30707407 redistribute (341.54881s) stopped
T01 << 1462344003.30803299 van der Waals (3024.81630s) stopped
T01 << 1462344003.49226093 XC 3D grid (3134.63964s) stopped
T01 >> 1462344003.49231005 Poisson (657.55614s) started
T01 << 1462344005.88508105 Poisson (659.94891s) stopped
T01 >> 1462344005.88515592 Hartree integrate/restrict (24.64461s) started
T01 << 1462344005.90411496 Hartree integrate/restrict (24.66357s) stopped
T01 >> 1462344005.90418696 Hartree integrate/restrict (24.66361s) started
T01 << 1462344005.96604705 Hartree integrate/restrict (24.72547s) stopped
T01 >> 1462344005.99006701 Atomic (1919.79959s) started
T01 >> 1462344006.00039291 XC Correction (1915.90101s) started
T01 << 1462344012.52415490 XC Correction (1922.42477s) stopped
T01 << 1462344012.52728009 Atomic (1926.33680s) stopped
T01 >> 1462344012.52742791 Communicate (1463.28892s) started
T01 << 1462344017.03375101 Communicate (1467.79525s) stopped
T01 << 1462344017.03377795 Hamiltonian (7224.11467s) stopped
T01 >> 1462344017.03386998 LCAO eigensolver (2584.94648s) started
T01 >> 1462344017.03388405 Potential matrix (82.40433s) started
T01 << 1462344017.29228401 Potential matrix (82.66273s) stopped
T01 >> 1462344017.29236197 DistributedAtomicCorrection (427.73807s) started
T01 << 1462344018.63317800 DistributedAtomicCorrection (429.07889s) stopped
T01 >> 1462344018.63324404 Distribute overlap matrix (373.76391s) started
T01 >> 1462344018.63326693 blocked summation (354.50526s) started
T01 << 1462344019.69489193 blocked summation (355.56689s) stopped
T01 >> 1462344019.69628596 Scalapack redistribute (18.79757s) started
T01 << 1462344019.75703192 Scalapack redistribute (18.85832s) stopped
T01 << 1462344019.75711107 Distribute overlap matrix (374.88778s) stopped
T01 >> 1462344019.75766897 Blacs Orbital Layouts (885.59392s) started
T01 >> 1462344019.75910211 General diagonalize (868.04536s) started
T01 << 1462344022.46915698 General diagonalize (870.75541s) stopped
T01 >> 1462344022.46922207 Redistribute coefs (0.91900s) started
T01 << 1462344022.47219300 Redistribute coefs (0.92197s) stopped
T01 >> 1462344022.47224092 Send coefs to domains (16.15031s) started
T01 << 1462344022.52263498 Send coefs to domains (16.20070s) stopped
T01 << 1462344022.52296209 Blacs Orbital Layouts (888.35921s) stopped
T01 >> 1462344022.52301693 Calculate projections (815.17820s) started
T01 << 1462344025.04616189 Calculate projections (817.70134s) stopped
T01 << 1462344025.04624295 LCAO eigensolver (2592.95885s) stopped
T01 >> 1462344025.04716396 Density (636.56854s) started
T01 >> 1462344025.04717708 Pseudo density (526.28366s) started
T01 >> 1462344025.04757810 Calculate density matrix (473.47178s) started
T01 << 1462344026.58492804 Calculate density matrix (475.00913s) stopped
T01 >> 1462344026.58501506 Construct density (52.08652s) started
T01 << 1462344026.76001692 Construct density (52.26152s) stopped
T01 >> 1462344026.76161909 Symmetrize density (0.01311s) started
T01 << 1462344026.76165104 Symmetrize density (0.01314s) stopped
T01 << 1462344026.76211500 Pseudo density (527.99859s) stopped
T01 >> 1462344026.76213408 Atomic density matrices (72.95624s) started
T01 << 1462344027.00036693 Atomic density matrices (73.19447s) stopped
T01 >> 1462344027.00040793 Multipole moments (1.18036s) started
T01 << 1462344027.00425291 Multipole moments (1.18421s) stopped
T01 >> 1462344027.00427604 Normalize (0.31972s) started
T01 << 1462344027.00535107 Normalize (0.32080s) stopped
T01 >> 1462344027.00538492 Mix (35.80872s) started
T01 << 1462344027.12408996 Mix (35.92742s) stopped
T01 << 1462344027.12423611 Density (638.64562s) stopped
T01 >> 1462344027.12432194 Hamiltonian (7224.11468s) started
T01 >> 1462344027.12434101 vbar (3.96333s) started
T01 << 1462344027.14140797 vbar (3.98039s) stopped
T01 >> 1462344027.14156389 XC 3D grid (3134.63968s) started
T01 >> 1462344027.32120609 van der Waals (3024.81634s) started
T01 >> 1462344027.36645603 semilocal (686.29973s) started
T01 << 1462344029.58624005 semilocal (688.51951s) stopped
T01 >> 1462344029.61690497 redistribute (341.54886s) started
T01 << 1462344029.99329591 redistribute (341.92525s) stopped
T01 >> 1462344029.99336195 libvdwxc nonlocal (1974.00720s) started
T01 << 1462344036.69013810 libvdwxc nonlocal (1980.70398s) stopped
T01 >> 1462344036.69021392 redistribute (341.92529s) started
T01 << 1462344037.35146403 redistribute (342.58654s) stopped
T01 << 1462344037.35270405 van der Waals (3034.84784s) stopped
T01 << 1462344037.52640390 XC 3D grid (3145.02452s) stopped
T01 >> 1462344037.52645302 Poisson (659.94896s) started
T01 << 1462344039.32332611 Poisson (661.74583s) stopped
T01 >> 1462344039.32341909 Hartree integrate/restrict (24.72552s) started
T01 << 1462344039.34246302 Hartree integrate/restrict (24.74457s) stopped
T01 >> 1462344039.34255004 Hartree integrate/restrict (24.74463s) started
T01 << 1462344039.41042209 Hartree integrate/restrict (24.81250s) stopped
T01 >> 1462344039.42714000 Atomic (1926.33682s) started
T01 >> 1462344039.43741298 XC Correction (1922.42480s) started
T01 << 1462344045.87851906 XC Correction (1928.86590s) stopped
T01 << 1462344045.88163900 Atomic (1932.79132s) stopped
T01 >> 1462344045.88179398 Communicate (1467.79526s) started
T01 << 1462344050.38750505 Communicate (1472.30098s) stopped
T01 << 1462344050.38753200 Hamiltonian (7247.37789s) stopped
T01 >> 1462344050.38762593 LCAO eigensolver (2592.95887s) started
T01 >> 1462344050.38763905 Potential matrix (82.66277s) started
T01 << 1462344050.64468503 Potential matrix (82.91982s) stopped
T01 >> 1462344050.64476800 DistributedAtomicCorrection (429.07892s) started
T01 << 1462344051.97595096 DistributedAtomicCorrection (430.41011s) stopped
T01 >> 1462344051.97601795 Distribute overlap matrix (374.88779s) started
T01 >> 1462344051.97604108 blocked summation (355.56693s) started
T01 << 1462344053.06055593 blocked summation (356.65144s) stopped
T01 >> 1462344053.06241989 Scalapack redistribute (18.85835s) started
T01 << 1462344053.12464595 Scalapack redistribute (18.92058s) stopped
T01 << 1462344053.12473011 Distribute overlap matrix (376.03650s) stopped
T01 >> 1462344053.12530994 Blacs Orbital Layouts (888.35923s) started
T01 >> 1462344053.12688088 General diagonalize (870.75545s) started
T01 << 1462344055.83580589 General diagonalize (873.46438s) stopped
T01 >> 1462344055.83587003 Redistribute coefs (0.92201s) started
T01 << 1462344055.83882904 Redistribute coefs (0.92497s) stopped
T01 >> 1462344055.83887696 Send coefs to domains (16.20075s) started
T01 << 1462344055.88833690 Send coefs to domains (16.25021s) stopped
T01 << 1462344055.88884306 Blacs Orbital Layouts (891.12276s) stopped
T01 >> 1462344055.88889694 Calculate projections (817.70139s) started
T01 << 1462344058.41216993 Calculate projections (820.22467s) stopped
T01 << 1462344058.41244507 LCAO eigensolver (2600.98369s) stopped
T01 >> 1462344058.41318798 Density (638.64563s) started
T01 >> 1462344058.41320109 Pseudo density (527.99861s) started
T01 >> 1462344058.41360402 Calculate density matrix (475.00918s) started
T01 << 1462344059.95677805 Calculate density matrix (476.55235s) stopped
T01 >> 1462344059.95686197 Construct density (52.26156s) started
T01 << 1462344060.13152194 Construct density (52.43622s) stopped
T01 >> 1462344060.13389802 Symmetrize density (0.01315s) started
T01 << 1462344060.13393211 Symmetrize density (0.01319s) stopped
T01 << 1462344060.13439298 Pseudo density (529.71980s) stopped
T01 >> 1462344060.13441205 Atomic density matrices (73.19450s) started
T01 << 1462344060.37293601 Atomic density matrices (73.43303s) stopped
T01 >> 1462344060.37297702 Multipole moments (1.18422s) started
T01 << 1462344060.37683892 Multipole moments (1.18808s) stopped
T01 >> 1462344060.37686110 Normalize (0.32082s) started
T01 << 1462344060.37791800 Normalize (0.32188s) stopped
T01 >> 1462344060.37795401 Mix (35.92756s) started
T01 << 1462344060.49899602 Mix (36.04860s) stopped
T01 << 1462344060.49905109 Density (640.73150s) stopped
T01 >> 1462344060.49913406 Hamiltonian (7247.37790s) started
T01 >> 1462344060.49915409 vbar (3.98048s) started
T01 << 1462344060.51542211 vbar (3.99675s) stopped
T01 >> 1462344060.51549196 XC 3D grid (3145.02455s) started
T01 >> 1462344060.69389105 van der Waals (3034.84788s) started
T01 >> 1462344060.73814988 semilocal (688.51961s) started
T01 << 1462344062.96861410 semilocal (690.75007s) stopped
T01 >> 1462344063.00019503 redistribute (342.58659s) started
T01 << 1462344063.37159896 redistribute (342.95800s) stopped
T01 >> 1462344063.37166810 libvdwxc nonlocal (1980.70403s) started
T01 << 1462344070.03921199 libvdwxc nonlocal (1987.37157s) stopped
T01 >> 1462344070.03928709 redistribute (342.95804s) started
T01 << 1462344070.68698096 redistribute (343.60573s) stopped
T01 << 1462344070.68810391 van der Waals (3044.84209s) stopped
T01 << 1462344070.86921000 XC 3D grid (3155.37827s) stopped
T01 >> 1462344070.86927104 Poisson (661.74591s) started
T01 << 1462344072.66916895 Poisson (663.54580s) stopped
T01 >> 1462344072.66926098 Hartree integrate/restrict (24.81254s) started
T01 << 1462344072.68791795 Hartree integrate/restrict (24.83119s) stopped
T01 >> 1462344072.68805194 Hartree integrate/restrict (24.83129s) started
T01 << 1462344072.75013995 Hartree integrate/restrict (24.89337s) stopped
T01 >> 1462344072.77024293 Atomic (1932.79134s) started
T01 >> 1462344072.78043103 XC Correction (1928.86593s) started
T01 << 1462344079.21385694 XC Correction (1935.29935s) stopped
T01 << 1462344079.21699309 Atomic (1939.23809s) stopped
T01 >> 1462344079.21714497 Communicate (1472.30099s) started
T01 << 1462344083.71557593 Communicate (1476.79942s) stopped
T01 << 1462344083.71560192 Hamiltonian (7270.59437s) stopped
T01 >> 1462344083.71569490 LCAO eigensolver (2600.98370s) started
T01 >> 1462344083.71570897 Potential matrix (82.91986s) started
T01 << 1462344083.97344208 Potential matrix (83.17760s) stopped
T01 >> 1462344083.97351503 DistributedAtomicCorrection (430.41015s) started
T01 << 1462344085.33631611 DistributedAtomicCorrection (431.77295s) stopped
T01 >> 1462344085.33638406 Distribute overlap matrix (376.03651s) started
T01 >> 1462344085.33640599 blocked summation (356.65148s) started
T01 << 1462344086.38141298 blocked summation (357.69649s) stopped
T01 >> 1462344086.38315511 Scalapack redistribute (18.92062s) started
T01 << 1462344086.44302392 Scalapack redistribute (18.98049s) stopped
T01 << 1462344086.44309998 Distribute overlap matrix (377.14323s) stopped
T01 >> 1462344086.44369006 Blacs Orbital Layouts (891.12278s) started
T01 >> 1462344086.44490910 General diagonalize (873.46441s) started
T01 << 1462344089.21257496 General diagonalize (876.23208s) stopped
T01 >> 1462344089.21264005 Redistribute coefs (0.92501s) started
T01 << 1462344089.21544504 Redistribute coefs (0.92781s) stopped
T01 >> 1462344089.21552610 Send coefs to domains (16.25025s) started
T01 << 1462344089.26708198 Send coefs to domains (16.30181s) stopped
T01 << 1462344089.26743102 Blacs Orbital Layouts (893.94652s) stopped
T01 >> 1462344089.26748204 Calculate projections (820.22472s) started
T01 << 1462344091.79084110 Calculate projections (822.74808s) stopped
T01 << 1462344091.79111791 LCAO eigensolver (2609.05913s) stopped
T01 >> 1462344091.79185510 Density (640.73151s) started
T01 >> 1462344091.79186797 Pseudo density (529.71982s) started
T01 >> 1462344091.79226995 Calculate density matrix (476.55239s) started
T01 << 1462344093.32510209 Calculate density matrix (478.08523s) stopped
T01 >> 1462344093.32518792 Construct density (52.43625s) started
T01 << 1462344093.50001001 Construct density (52.61107s) stopped
T01 >> 1462344093.50144506 Symmetrize density (0.01320s) started
T01 << 1462344093.50147700 Symmetrize density (0.01323s) stopped
T01 << 1462344093.50199008 Pseudo density (531.42994s) stopped
T01 >> 1462344093.50201011 Atomic density matrices (73.43305s) started
T01 << 1462344093.73952508 Atomic density matrices (73.67057s) stopped
T01 >> 1462344093.73956704 Multipole moments (1.18810s) started
T01 << 1462344093.74341011 Multipole moments (1.19194s) stopped
T01 >> 1462344093.74343300 Normalize (0.32191s) started
T01 << 1462344093.74447608 Normalize (0.32295s) stopped
T01 >> 1462344093.74451208 Mix (36.04866s) started
T01 << 1462344093.86642098 Mix (36.17057s) stopped
T01 << 1462344093.86646795 Density (642.80613s) stopped
T01 >> 1462344093.86654711 Hamiltonian (7270.59438s) started
T01 >> 1462344093.86656499 vbar (3.99679s) started
T01 << 1462344093.88262701 vbar (4.01285s) stopped
T01 >> 1462344093.88269591 XC 3D grid (3155.37832s) started
T01 >> 1462344094.05441308 van der Waals (3044.84213s) started
T01 >> 1462344094.09934402 semilocal (690.75016s) started
T01 << 1462344096.32351804 semilocal (692.97434s) stopped
T01 >> 1462344096.35536909 redistribute (343.60577s) started
T01 << 1462344096.74401999 redistribute (343.99442s) stopped
T01 >> 1462344096.74408603 libvdwxc nonlocal (1987.37162s) started
T01 << 1462344103.44556403 libvdwxc nonlocal (1994.07310s) stopped
T01 >> 1462344103.44563389 redistribute (343.99446s) started
T01 << 1462344104.09994793 redistribute (344.64878s) stopped
T01 << 1462344104.10123396 van der Waals (3054.88895s) stopped
T01 << 1462344104.28039503 XC 3D grid (3165.77602s) stopped
T01 >> 1462344104.28044391 Poisson (663.54587s) started
T01 << 1462344106.67035389 Poisson (665.93578s) stopped
T01 >> 1462344106.67044306 Hartree integrate/restrict (24.89341s) started
T01 << 1462344106.68964505 Hartree integrate/restrict (24.91261s) stopped
T01 >> 1462344106.68971610 Hartree integrate/restrict (24.91266s) started
T01 << 1462344106.75181293 Hartree integrate/restrict (24.97476s) stopped
T01 >> 1462344106.77377892 Atomic (1939.23810s) started
T01 >> 1462344106.78393698 XC Correction (1935.29938s) started
T01 << 1462344113.20576906 XC Correction (1941.72121s) stopped
T01 << 1462344113.20890808 Atomic (1945.67323s) stopped
T01 >> 1462344113.20905995 Communicate (1476.79944s) started
T01 << 1462344117.67052698 Communicate (1481.26091s) stopped
T01 << 1462344117.67055392 Hamiltonian (7294.39839s) stopped
T01 >> 1462344117.67064810 LCAO eigensolver (2609.05915s) started
T01 >> 1462344117.67066503 Potential matrix (83.17764s) started
T01 << 1462344117.92984390 Potential matrix (83.43682s) stopped
T01 >> 1462344117.92991805 DistributedAtomicCorrection (431.77299s) started
T01 << 1462344119.27143097 DistributedAtomicCorrection (433.11450s) stopped
T01 >> 1462344119.27149701 Distribute overlap matrix (377.14324s) started
T01 >> 1462344119.27151990 blocked summation (357.69653s) started
T01 << 1462344120.32488298 blocked summation (358.74989s) stopped
T01 >> 1462344120.32724905 Scalapack redistribute (18.98053s) started
T01 << 1462344120.38597107 Scalapack redistribute (19.03925s) stopped
T01 << 1462344120.38604808 Distribute overlap matrix (378.25779s) stopped
T01 >> 1462344120.38662410 Blacs Orbital Layouts (893.94654s) started
T01 >> 1462344120.38791800 General diagonalize (876.23212s) started
T01 << 1462344123.11280107 General diagonalize (878.95700s) stopped
T01 >> 1462344123.11286497 Redistribute coefs (0.92785s) started
T01 << 1462344123.11605406 Redistribute coefs (0.93104s) stopped
T01 >> 1462344123.11610103 Send coefs to domains (16.30185s) started
T01 << 1462344123.16718197 Send coefs to domains (16.35294s) stopped
T01 << 1462344123.16750908 Blacs Orbital Layouts (896.72742s) stopped
T01 >> 1462344123.16755795 Calculate projections (822.74813s) started
T01 << 1462344125.69081998 Calculate projections (825.27140s) stopped
T01 << 1462344125.69126010 LCAO eigensolver (2617.07976s) stopped
T01 >> 1462344125.69199395 Density (642.80614s) started
T01 >> 1462344125.69200802 Pseudo density (531.42995s) started
T01 >> 1462344125.69241095 Calculate density matrix (478.08527s) started
T01 << 1462344127.23426604 Calculate density matrix (479.62712s) stopped
T01 >> 1462344127.23435497 Construct density (52.61111s) started
T01 << 1462344127.40917301 Construct density (52.78593s) stopped
T01 >> 1462344127.41152501 Symmetrize density (0.01328s) started
T01 << 1462344127.41155791 Symmetrize density (0.01331s) stopped
T01 << 1462344127.41202497 Pseudo density (533.14997s) stopped
T01 >> 1462344127.41204405 Atomic density matrices (73.67060s) started
T01 << 1462344127.64874005 Atomic density matrices (73.90729s) stopped
T01 >> 1462344127.64878106 Multipole moments (1.19196s) started
T01 << 1462344127.65261889 Multipole moments (1.19580s) stopped
T01 >> 1462344127.65264201 Normalize (0.32297s) started
T01 << 1462344127.65368700 Normalize (0.32402s) stopped
T01 >> 1462344127.65372396 Mix (36.17061s) started
T01 << 1462344127.77358389 Mix (36.29047s) stopped
T01 << 1462344127.77367091 Density (644.88782s) stopped
T01 >> 1462344127.77375197 Hamiltonian (7294.39840s) started
T01 >> 1462344127.77377105 vbar (4.01289s) started
T01 << 1462344127.79059792 vbar (4.02972s) stopped
T01 >> 1462344127.79070997 XC 3D grid (3165.77606s) started
T01 >> 1462344127.96392393 van der Waals (3054.88907s) started
T01 >> 1462344128.00932193 semilocal (692.97442s) started
T01 << 1462344130.22064900 semilocal (695.18575s) stopped
T01 >> 1462344130.25274801 redistribute (344.64889s) started
T01 << 1462344130.64131498 redistribute (345.03746s) stopped
T01 >> 1462344130.64138293 libvdwxc nonlocal (1994.07314s) started
T01 << 1462344137.32829404 libvdwxc nonlocal (2000.76005s) stopped
T01 >> 1462344137.32837296 redistribute (345.03750s) started
T01 << 1462344137.99325204 redistribute (345.70238s) stopped
T01 << 1462344137.99474692 van der Waals (3064.91989s) stopped
T01 << 1462344138.16995907 XC 3D grid (3176.15531s) stopped
T01 >> 1462344138.17002606 Poisson (665.93585s) started
T01 << 1462344139.97911406 Poisson (667.74494s) stopped
T01 >> 1462344139.97923493 Hartree integrate/restrict (24.97479s) started
T01 << 1462344139.99810290 Hartree integrate/restrict (24.99366s) stopped
T01 >> 1462344139.99822092 Hartree integrate/restrict (24.99374s) started
T01 << 1462344140.06122494 Hartree integrate/restrict (25.05675s) stopped
T01 >> 1462344140.08488107 Atomic (1945.67325s) started
T01 >> 1462344140.09513211 XC Correction (1941.72124s) started
T01 << 1462344146.53708196 XC Correction (1948.16319s) stopped
T01 << 1462344146.54022598 Atomic (1952.12860s) stopped
T01 >> 1462344146.54037404 Communicate (1481.26092s) started
T01 << 1462344151.01336503 Communicate (1485.73392s) stopped
T01 << 1462344151.01339412 Hamiltonian (7317.63804s) stopped
T01 >> 1462344151.01348996 LCAO eigensolver (2617.07978s) started
T01 >> 1462344151.01350307 Potential matrix (83.43686s) started
T01 << 1462344151.27191591 Potential matrix (83.69527s) stopped
T01 >> 1462344151.27199006 DistributedAtomicCorrection (433.11454s) started
T01 << 1462344152.60036898 DistributedAtomicCorrection (434.44291s) stopped
T01 >> 1462344152.60043502 Distribute overlap matrix (378.25781s) started
T01 >> 1462344152.60045791 blocked summation (358.74993s) started
T01 << 1462344153.68004799 blocked summation (359.82952s) stopped
T01 >> 1462344153.68165588 Scalapack redistribute (19.03928s) started
T01 << 1462344153.74335003 Scalapack redistribute (19.10098s) stopped
T01 << 1462344153.74342895 Distribute overlap matrix (379.40080s) stopped
T01 >> 1462344153.74402308 Blacs Orbital Layouts (896.72744s) started
T01 >> 1462344153.74612999 General diagonalize (878.95704s) started
T01 << 1462344156.46273088 General diagonalize (881.67364s) stopped
T01 >> 1462344156.46279502 Redistribute coefs (0.93107s) started
T01 << 1462344156.46600509 Redistribute coefs (0.93428s) stopped
T01 >> 1462344156.46605110 Send coefs to domains (16.35297s) started
T01 << 1462344156.51639199 Send coefs to domains (16.40332s) stopped
T01 << 1462344156.51694393 Blacs Orbital Layouts (899.50036s) stopped
T01 >> 1462344156.51699209 Calculate projections (825.27145s) started
T01 << 1462344159.04024410 Calculate projections (827.79470s) stopped
T01 << 1462344159.04051590 LCAO eigensolver (2625.10680s) stopped
T01 >> 1462344159.04128003 Density (644.88783s) started
T01 >> 1462344159.04129291 Pseudo density (533.14998s) started
T01 >> 1462344159.04170203 Calculate density matrix (479.62716s) started
T01 << 1462344160.58667707 Calculate density matrix (481.17214s) stopped
T01 >> 1462344160.58676004 Construct density (52.78596s) started
T01 << 1462344160.76135492 Construct density (52.96056s) stopped
T01 >> 1462344160.76372790 Symmetrize density (0.01332s) started
T01 << 1462344160.76376200 Symmetrize density (0.01336s) stopped
T01 << 1462344160.76422000 Pseudo density (534.87291s) stopped
T01 >> 1462344160.76424003 Atomic density matrices (73.90732s) started
T01 << 1462344161.00124907 Atomic density matrices (74.14433s) stopped
T01 >> 1462344161.00128794 Multipole moments (1.19581s) started
T01 << 1462344161.00514197 Multipole moments (1.19967s) stopped
T01 >> 1462344161.00516391 Normalize (0.32405s) started
T01 << 1462344161.00620508 Normalize (0.32509s) stopped
T01 >> 1462344161.00623989 Mix (36.29056s) started
T01 << 1462344161.12600899 Mix (36.41033s) stopped
T01 << 1462344161.12609005 Density (646.97264s) stopped
T01 >> 1462344161.12616491 Hamiltonian (7317.63805s) started
T01 >> 1462344161.12618494 vbar (4.02978s) started
T01 << 1462344161.14291906 vbar (4.04651s) stopped
T01 >> 1462344161.14301205 XC 3D grid (3176.15536s) started
T01 >> 1462344161.31995702 van der Waals (3064.91994s) started
T01 >> 1462344161.36571097 semilocal (695.18582s) started
T01 << 1462344163.59885001 semilocal (697.41896s) stopped
T01 >> 1462344163.63058805 redistribute (345.70246s) started
T01 << 1462344164.00211406 redistribute (346.07399s) stopped
T01 >> 1462344164.00218010 libvdwxc nonlocal (2000.76010s) started
T01 << 1462344170.70284796 libvdwxc nonlocal (2007.46077s) stopped
T01 >> 1462344170.70292401 redistribute (346.07403s) started
T01 << 1462344171.36318207 redistribute (346.73429s) stopped
T01 << 1462344171.36455607 van der Waals (3074.96454s) stopped
T01 << 1462344171.53615689 XC 3D grid (3186.54850s) stopped
T01 >> 1462344171.53620791 Poisson (667.74504s) started
T01 << 1462344173.33976698 Poisson (669.54860s) stopped
T01 >> 1462344173.33985996 Hartree integrate/restrict (25.05678s) started
T01 << 1462344173.35905790 Hartree integrate/restrict (25.07598s) stopped
T01 >> 1462344173.35913706 Hartree integrate/restrict (25.07603s) started
T01 << 1462344173.42232490 Hartree integrate/restrict (25.13922s) stopped
T01 >> 1462344173.44027591 Atomic (1952.12861s) started
T01 >> 1462344173.45055294 XC Correction (1948.16321s) started
T01 << 1462344179.91059208 XC Correction (1954.62325s) stopped
T01 << 1462344179.91375494 Atomic (1958.60209s) stopped
T01 >> 1462344179.91390610 Communicate (1485.73393s) started
T01 << 1462344184.39606404 Communicate (1490.21609s) stopped
T01 << 1462344184.39609194 Hamiltonian (7340.90798s) stopped
T01 >> 1462344184.39618707 LCAO eigensolver (2625.10685s) started
T01 >> 1462344184.39620090 Potential matrix (83.69531s) started
T01 << 1462344184.65437198 Potential matrix (83.95348s) stopped
T01 >> 1462344184.65444803 DistributedAtomicCorrection (434.44295s) started
T01 << 1462344185.98443604 DistributedAtomicCorrection (435.77294s) stopped
T01 >> 1462344185.98450089 Distribute overlap matrix (379.40081s) started
T01 >> 1462344185.98452306 blocked summation (359.82956s) started
T01 << 1462344187.03111601 blocked summation (360.87615s) stopped
T01 >> 1462344187.03294110 Scalapack redistribute (19.10101s) started
T01 << 1462344187.09119391 Scalapack redistribute (19.15927s) stopped
T01 << 1462344187.09127307 Distribute overlap matrix (380.50758s) stopped
T01 >> 1462344187.09185600 Blacs Orbital Layouts (899.50038s) started
T01 >> 1462344187.09328103 General diagonalize (881.67368s) started
T01 << 1462344189.84497499 General diagonalize (884.42537s) stopped
T01 >> 1462344189.84503889 Redistribute coefs (0.93432s) started
T01 << 1462344189.84868002 Redistribute coefs (0.93796s) stopped
T01 >> 1462344189.84872699 Send coefs to domains (16.40336s) started
T01 << 1462344189.89848995 Send coefs to domains (16.45312s) stopped
T01 << 1462344189.89879799 Blacs Orbital Layouts (902.30732s) stopped
T01 >> 1462344189.89885306 Calculate projections (827.79475s) started
T01 << 1462344192.42208290 Calculate projections (830.31798s) stopped
T01 << 1462344192.42236304 LCAO eigensolver (2633.13303s) stopped
T01 >> 1462344192.42310810 Density (646.97266s) started
T01 >> 1462344192.42312098 Pseudo density (534.87292s) started
T01 >> 1462344192.42352509 Calculate density matrix (481.17218s) started
T01 << 1462344193.96556711 Calculate density matrix (482.71422s) stopped
T01 >> 1462344193.96565104 Construct density (52.96059s) started
T01 << 1462344194.14057899 Construct density (53.13552s) stopped
T01 >> 1462344194.14294004 Symmetrize density (0.01337s) started
T01 << 1462344194.14297295 Symmetrize density (0.01340s) stopped
T01 << 1462344194.14343596 Pseudo density (536.59324s) stopped
T01 >> 1462344194.14345598 Atomic density matrices (74.14436s) started
T01 << 1462344194.38133597 Atomic density matrices (74.38224s) stopped
T01 >> 1462344194.38137603 Multipole moments (1.19968s) started
T01 << 1462344194.38523006 Multipole moments (1.20353s) stopped
T01 >> 1462344194.38525295 Normalize (0.32511s) started
T01 << 1462344194.38629007 Normalize (0.32615s) stopped
T01 >> 1462344194.38632607 Mix (36.41040s) started
T01 << 1462344194.50826502 Mix (36.53234s) stopped
T01 << 1462344194.50837111 Density (649.05792s) stopped
T01 >> 1462344194.50845599 Hamiltonian (7340.90799s) started
T01 >> 1462344194.50847292 vbar (4.04657s) started
T01 << 1462344194.52515793 vbar (4.06325s) stopped
T01 >> 1462344194.52530098 XC 3D grid (3186.54854s) started
T01 >> 1462344194.70406890 van der Waals (3074.96461s) started
T01 >> 1462344194.74764800 semilocal (697.41902s) started
T01 << 1462344196.97430706 semilocal (699.64568s) stopped
T01 >> 1462344197.00550389 redistribute (346.73440s) started
T01 << 1462344197.38429689 redistribute (347.11320s) stopped
T01 >> 1462344197.38436294 libvdwxc nonlocal (2007.46082s) started
T01 << 1462344204.08015895 libvdwxc nonlocal (2014.15662s) stopped
T01 >> 1462344204.08024406 redistribute (347.11324s) started
T01 << 1462344204.73548388 redistribute (347.76848s) stopped
T01 << 1462344204.73705101 van der Waals (3084.99759s) stopped
T01 << 1462344204.91633391 XC 3D grid (3196.93958s) stopped
T01 >> 1462344204.91638207 Poisson (669.54867s) started
T01 << 1462344206.71947098 Poisson (671.35176s) stopped
T01 >> 1462344206.71954203 Hartree integrate/restrict (25.13926s) started
T01 << 1462344206.73838496 Hartree integrate/restrict (25.15810s) stopped
T01 >> 1462344206.73845005 Hartree integrate/restrict (25.15815s) started
T01 << 1462344206.80193996 Hartree integrate/restrict (25.22164s) stopped
T01 >> 1462344206.81882811 Atomic (1958.60211s) started
T01 >> 1462344206.82933497 XC Correction (1954.62327s) started
T01 << 1462344213.28683090 XC Correction (1961.08077s) stopped
T01 << 1462344213.29001307 Atomic (1965.07329s) stopped
T01 >> 1462344213.29016304 Communicate (1490.21611s) started
T01 << 1462344217.78380299 Communicate (1494.70975s) stopped
T01 << 1462344217.78383088 Hamiltonian (7364.18337s) stopped
T01 >> 1462344217.78392291 LCAO eigensolver (2633.13305s) started
T01 >> 1462344217.78393698 Potential matrix (83.95352s) started
T01 << 1462344218.04303908 Potential matrix (84.21262s) stopped
T01 >> 1462344218.04311299 DistributedAtomicCorrection (435.77298s) started
T01 << 1462344219.37066293 DistributedAtomicCorrection (437.10053s) stopped
T01 >> 1462344219.37072706 Distribute overlap matrix (380.50760s) started
T01 >> 1462344219.37074995 blocked summation (360.87619s) started
T01 << 1462344220.43652797 blocked summation (361.94196s) stopped
T01 >> 1462344220.43889809 Scalapack redistribute (19.15930s) started
T01 << 1462344220.49788904 Scalapack redistribute (19.21829s) stopped
T01 << 1462344220.49796700 Distribute overlap matrix (381.63484s) stopped
T01 >> 1462344220.49853492 Blacs Orbital Layouts (902.30734s) started
T01 >> 1462344220.49979496 General diagonalize (884.42541s) started
T01 << 1462344223.23890305 General diagonalize (887.16452s) stopped
T01 >> 1462344223.23898292 Redistribute coefs (0.93800s) started
T01 << 1462344223.24206305 Redistribute coefs (0.94108s) stopped
T01 >> 1462344223.24210906 Send coefs to domains (16.45316s) started
T01 << 1462344223.29322410 Send coefs to domains (16.50428s) stopped
T01 << 1462344223.29352689 Blacs Orbital Layouts (905.10233s) stopped
T01 >> 1462344223.29357696 Calculate projections (830.31804s) started
T01 << 1462344225.81686711 Calculate projections (832.84133s) stopped
T01 << 1462344225.81730604 LCAO eigensolver (2641.16643s) stopped
T01 << 1462344225.81803107 SCF-cycle (10654.67423s) stopped
T01 >> 1462344226.66206098 Force calculation (438.62442s) started
T01 >> 1462344226.66211891 LCAO forces (280.35905s) started
T01 >> 1462344226.66247106 Initial (0.00033s) started
T01 << 1462344226.66248202 Initial (0.00034s) stopped
T01 >> 1462344226.66670704 Get density matrix (54.27611s) started
T01 << 1462344227.27210689 Get density matrix (54.88151s) stopped
T01 >> 1462344227.27217388 Potential (20.18536s) started
T01 << 1462344228.64555192 Potential (21.55874s) stopped
T01 >> 1462344228.64561701 Get density matrix (54.88154s) started
T01 << 1462344231.81010389 Get density matrix (58.04603s) stopped
T01 >> 1462344231.81023002 Prepare TCI loop (28.21215s) started
T01 >> 1462344231.81070709 Get neighbors (24.66487s) started
T01 << 1462344233.61230111 Get neighbors (26.46647s) stopped
T01 >> 1462344233.61252809 broadcast dH (3.53717s) started
T01 << 1462344233.74081492 broadcast dH (3.66545s) stopped
T01 << 1462344233.74086189 Prepare TCI loop (30.14278s) stopped
T01 >> 1462344233.74088001 Not so complicated loop (39.28320s) started
T01 << 1462344236.55938411 Not so complicated loop (42.10170s) stopped
T01 >> 1462344236.68248606 Complicated loop (136.53021s) started
T01 << 1462344246.14088893 Complicated loop (145.98861s) stopped
T01 >> 1462344246.15986609 Wait for sum (0.00080s) started
T01 << 1462344246.15991092 Wait for sum (0.00085s) stopped
T01 << 1462344246.15992403 LCAO forces (299.85685s) stopped
T01 << 1462344257.82742810 Force calculation (469.78979s) stopped
T01 >> 1462344257.84524798 Initialization (796.39788s) started
T01 << 1462344257.84543109 Initialization (796.39807s) stopped
T01 >> 1462344257.84566998 Initialization (796.39809s) started
T01 << 1462344257.84579897 Initialization (796.39821s) stopped
T01 >> 1462344257.84593296 Initialization (796.39823s) started
T01 << 1462344257.84606099 Initialization (796.39836s) stopped
T01 >> 1462344278.19208193 Initialization (796.39838s) started
T01 >> 1462344278.22606897 Basic WFS set positions (1.52974s) started
T01 >> 1462344278.22609210 Redistribute (0.03707s) started
T01 << 1462344278.22622609 Redistribute (0.03720s) stopped
T01 << 1462344278.32066798 Basic WFS set positions (1.62434s) stopped
T01 >> 1462344278.32069707 Basis functions set positions (6.72985s) started
T01 << 1462344278.72785497 Basis functions set positions (7.13701s) stopped
T01 >> 1462344278.72918892 TCI: Calculate S, T, P (236.20431s) started
T01 << 1462344293.78519201 TCI: Calculate S, T, P (251.26032s) stopped
T01 >> 1462344293.78526807 blocked summation (64.66498s) started
T01 << 1462344297.37861800 blocked summation (68.25833s) stopped
T01 >> 1462344297.37977409 Scalapack redistribute (3.36741s) started
T01 << 1462344297.44069290 Scalapack redistribute (3.42832s) stopped
T01 >> 1462344297.44105411 blocked summation (68.25837s) started
T01 << 1462344297.61253095 blocked summation (68.42984s) stopped
T01 >> 1462344297.61417508 Scalapack redistribute (3.42836s) started
T01 << 1462344297.81230092 Scalapack redistribute (3.62649s) stopped
T01 >> 1462344297.81367803 Redistribute (0.03004s) started
T01 << 1462344297.81467199 Redistribute (0.03103s) stopped
T01 >> 1462344298.71475291 Redistribute (0.03105s) started
T01 << 1462344298.71575308 Redistribute (0.03205s) stopped
T01 >> 1462344298.72671795 LCAO WFS Initialize (466.12815s) started
T01 >> 1462344298.72674608 Density initialize from wavefunctions (18.05455s) started
T01 >> 1462344298.72716093 Calculate density matrix (10.52317s) started
T01 << 1462344299.43339705 Calculate density matrix (11.22940s) stopped
T01 >> 1462344299.43346310 Construct density (2.54599s) started
T01 << 1462344299.60755396 Construct density (2.72008s) stopped
T01 >> 1462344299.60918999 Symmetrize density (0.00062s) started
T01 << 1462344299.60922289 Symmetrize density (0.00066s) stopped
T01 << 1462344299.94462800 Density initialize from wavefunctions (19.27244s) stopped
T01 >> 1462344299.94523096 Hamiltonian (447.86980s) started
T01 >> 1462344299.94527006 vbar (0.21108s) started
T01 << 1462344299.96144390 vbar (0.22726s) stopped
T01 >> 1462344299.96154189 XC 3D grid (162.86063s) started
T01 >> 1462344300.13110995 van der Waals (157.16375s) started
T01 >> 1462344300.17537689 semilocal (35.58028s) started
T01 << 1462344302.37543988 semilocal (37.78034s) stopped
T01 >> 1462344302.40796804 redistribute (17.70486s) started
T01 << 1462344302.81599212 redistribute (18.11288s) stopped
T01 >> 1462344302.81604290 libvdwxc nonlocal (102.69389s) started
T01 << 1462344309.55060601 libvdwxc nonlocal (109.42845s) stopped
T01 >> 1462344309.55065703 redistribute (18.11292s) started
T01 << 1462344310.18864989 redistribute (18.75092s) stopped
T01 << 1462344310.18977809 van der Waals (167.22242s) stopped
T01 << 1462344310.37018490 XC 3D grid (173.26927s) stopped
T01 >> 1462344310.37024498 Poisson (76.72299s) started
T01 << 1462344315.04603410 Poisson (81.39878s) stopped
T01 >> 1462344315.04611897 Hartree integrate/restrict (1.27686s) started
T01 << 1462344315.06512308 Hartree integrate/restrict (1.29587s) stopped
T01 >> 1462344315.06520104 Hartree integrate/restrict (1.29593s) started
T01 << 1462344315.12660694 Hartree integrate/restrict (1.35733s) stopped
T01 >> 1462344315.14339995 Atomic (105.66835s) started
T01 >> 1462344315.15418911 XC Correction (105.46243s) started
T01 << 1462344321.82105589 XC Correction (112.12930s) stopped
T01 << 1462344321.82423210 Atomic (112.34918s) stopped
T01 >> 1462344321.82448792 Communicate (100.76292s) started
T01 << 1462344327.88497710 Communicate (106.82341s) stopped
T01 << 1462344327.88500595 Hamiltonian (475.80957s) stopped
T01 << 1462344327.88506198 LCAO WFS Initialize (495.28650s) stopped
T01 << 1462344327.89742804 Initialization (846.10372s) stopped
T01 >> 1462344327.92269707 SCF-cycle (10654.67424s) started
T01 >> 1462344327.92273903 LCAO eigensolver (2641.16645s) started
T01 >> 1462344327.92275190 Potential matrix (84.21266s) started
T01 << 1462344328.18214393 Potential matrix (84.47205s) stopped
T01 >> 1462344328.18222308 DistributedAtomicCorrection (437.10056s) started
T01 << 1462344329.50960398 DistributedAtomicCorrection (438.42795s) stopped
T01 >> 1462344329.50967097 Distribute overlap matrix (381.63485s) started
T01 >> 1462344329.50969410 blocked summation (361.94200s) started
T01 << 1462344330.59773111 blocked summation (363.03004s) stopped
T01 >> 1462344330.59914994 Scalapack redistribute (19.21833s) started
T01 << 1462344330.65696192 Scalapack redistribute (19.27614s) stopped
T01 << 1462344330.65703702 Distribute overlap matrix (382.78221s) stopped
T01 >> 1462344330.65760398 Blacs Orbital Layouts (905.10235s) started
T01 >> 1462344330.65878510 General diagonalize (887.16457s) started
T01 << 1462344333.36806011 General diagonalize (889.87384s) stopped
T01 >> 1462344333.36810899 Redistribute coefs (0.94111s) started
T01 << 1462344333.37092400 Redistribute coefs (0.94393s) stopped
T01 >> 1462344333.37096906 Send coefs to domains (16.50432s) started
T01 << 1462344333.42109895 Send coefs to domains (16.55445s) stopped
T01 << 1462344333.42114997 Blacs Orbital Layouts (907.86590s) stopped
T01 >> 1462344333.42117810 Calculate projections (832.84138s) started
T01 << 1462344335.94461393 Calculate projections (835.36482s) stopped
T01 << 1462344335.94469690 LCAO eigensolver (2649.18841s) stopped
T01 >> 1462344335.94551706 Density (649.05794s) started
T01 >> 1462344335.94552898 Pseudo density (536.59325s) started
T01 >> 1462344335.94598389 Calculate density matrix (482.71427s) started
T01 << 1462344337.47769690 Calculate density matrix (484.24598s) stopped
T01 >> 1462344337.47781396 Construct density (53.13556s) started
T01 << 1462344337.65173602 Construct density (53.30948s) stopped
T01 >> 1462344337.65334296 Symmetrize density (0.01341s) started
T01 << 1462344337.65337491 Symmetrize density (0.01344s) stopped
T01 << 1462344337.65383601 Pseudo density (538.30156s) stopped
T01 >> 1462344337.65385604 Atomic density matrices (74.38226s) started
T01 << 1462344337.89446712 Atomic density matrices (74.62288s) stopped
T01 >> 1462344337.89450693 Multipole moments (1.20355s) started
T01 << 1462344337.89836407 Multipole moments (1.20741s) stopped
T01 >> 1462344337.89838600 Normalize (0.32617s) started
T01 << 1462344337.89946008 Normalize (0.32725s) stopped
T01 >> 1462344337.89949608 Mix (36.53244s) started
T01 << 1462344338.00290298 Mix (36.63585s) stopped
T01 << 1462344338.00298810 Density (651.11541s) stopped
T01 >> 1462344338.00306296 Hamiltonian (7364.18338s) started
T01 >> 1462344338.00307989 vbar (4.06334s) started
T01 << 1462344338.02009606 vbar (4.08035s) stopped
T01 >> 1462344338.02021503 XC 3D grid (3196.93961s) started
T01 >> 1462344338.19165802 van der Waals (3084.99769s) started
T01 >> 1462344338.23647904 semilocal (699.64574s) started
T01 << 1462344340.44786191 semilocal (701.85712s) stopped
T01 >> 1462344340.48276711 redistribute (347.76854s) started
T01 << 1462344340.88116908 redistribute (348.16694s) stopped
T01 >> 1462344340.88121891 libvdwxc nonlocal (2014.15668s) started
T01 << 1462344347.56790590 libvdwxc nonlocal (2020.84336s) stopped
T01 >> 1462344347.56798291 redistribute (348.16698s) started
T01 << 1462344348.21475911 redistribute (348.81375s) stopped
T01 << 1462344348.21601892 van der Waals (3095.02205s) stopped
T01 << 1462344348.39971590 XC 3D grid (3207.31911s) stopped
T01 >> 1462344348.39977098 Poisson (671.35181s) started
T01 << 1462344350.18105507 Poisson (673.13309s) stopped
T01 >> 1462344350.18117309 Hartree integrate/restrict (25.22167s) started
T01 << 1462344350.19993591 Hartree integrate/restrict (25.24043s) stopped
T01 >> 1462344350.20008206 Hartree integrate/restrict (25.24054s) started
T01 << 1462344350.26856995 Hartree integrate/restrict (25.30902s) stopped
T01 >> 1462344350.28134108 Atomic (1965.07331s) started
T01 >> 1462344350.29170990 XC Correction (1961.08079s) started
T01 << 1462344356.94421005 XC Correction (1967.73329s) stopped
T01 << 1462344356.94732404 Atomic (1971.73929s) stopped
T01 >> 1462344356.94747090 Communicate (1494.70977s) started
T01 << 1462344363.23534298 Communicate (1500.99764s) stopped
T01 << 1462344363.23537111 Hamiltonian (7389.41569s) stopped
T01 >> 1462344363.23546600 LCAO eigensolver (2649.18842s) started
T01 >> 1462344363.23548007 Potential matrix (84.47210s) started
T01 << 1462344363.49465394 Potential matrix (84.73127s) stopped
T01 >> 1462344363.49473095 DistributedAtomicCorrection (438.42798s) started
T01 << 1462344364.82715988 DistributedAtomicCorrection (439.76041s) stopped
T01 >> 1462344364.82722592 Distribute overlap matrix (382.78223s) started
T01 >> 1462344364.82724905 blocked summation (363.03008s) started
T01 << 1462344365.90617299 blocked summation (364.10900s) stopped
T01 >> 1462344365.90759397 Scalapack redistribute (19.27618s) started
T01 << 1462344365.96293712 Scalapack redistribute (19.33152s) stopped
T01 << 1462344365.96301198 Distribute overlap matrix (383.91801s) stopped
T01 >> 1462344365.96357989 Blacs Orbital Layouts (907.86591s) started
T01 >> 1462344365.96466899 General diagonalize (889.87388s) started
T01 << 1462344368.65006590 General diagonalize (892.55928s) stopped
T01 >> 1462344368.65013003 Redistribute coefs (0.94396s) started
T01 << 1462344368.65289092 Redistribute coefs (0.94672s) stopped
T01 >> 1462344368.65293598 Send coefs to domains (16.55449s) started
T01 << 1462344368.70374203 Send coefs to domains (16.60529s) stopped
T01 << 1462344368.70379305 Blacs Orbital Layouts (910.60612s) stopped
T01 >> 1462344368.70384097 Calculate projections (835.36488s) started
T01 << 1462344371.22729397 Calculate projections (837.88833s) stopped
T01 << 1462344371.22737503 LCAO eigensolver (2657.18033s) stopped
T01 >> 1462344371.22805095 Density (651.11542s) started
T01 >> 1462344371.22806406 Pseudo density (538.30158s) started
T01 >> 1462344371.22851491 Calculate density matrix (484.24607s) started
T01 << 1462344372.75670695 Calculate density matrix (485.77426s) stopped
T01 >> 1462344372.75677800 Construct density (53.30952s) started
T01 << 1462344372.93025398 Construct density (53.48299s) stopped
T01 >> 1462344372.93176007 Symmetrize density (0.01346s) started
T01 << 1462344372.93179202 Symmetrize density (0.01349s) stopped
T01 << 1462344372.93223405 Pseudo density (540.00575s) stopped
T01 >> 1462344372.93225288 Atomic density matrices (74.62290s) started
T01 << 1462344373.17179990 Atomic density matrices (74.86245s) stopped
T01 >> 1462344373.17184091 Multipole moments (1.20742s) started
T01 << 1462344373.17572498 Multipole moments (1.21131s) stopped
T01 >> 1462344373.17574811 Normalize (0.32727s) started
T01 << 1462344373.17682791 Normalize (0.32835s) stopped
T01 >> 1462344373.17686510 Mix (36.63593s) started
T01 << 1462344373.28606701 Mix (36.74513s) stopped
T01 << 1462344373.28618097 Density (653.17355s) stopped
T01 >> 1462344373.28626394 Hamiltonian (7389.41570s) started
T01 >> 1462344373.28628302 vbar (4.08042s) started
T01 << 1462344373.30236411 vbar (4.09650s) stopped
T01 >> 1462344373.30245399 XC 3D grid (3207.31916s) started
T01 >> 1462344373.48103499 van der Waals (3095.02210s) started
T01 >> 1462344373.52614808 semilocal (701.85723s) started
T01 << 1462344375.76820111 semilocal (704.09929s) stopped
T01 >> 1462344375.80135393 redistribute (348.81381s) started
T01 << 1462344376.17469907 redistribute (349.18716s) stopped
T01 >> 1462344376.17476702 libvdwxc nonlocal (2020.84342s) started
T01 << 1462344382.88190889 libvdwxc nonlocal (2027.55056s) stopped
T01 >> 1462344382.88199496 redistribute (349.18719s) started
T01 << 1462344383.52615404 redistribute (349.83135s) stopped
T01 << 1462344383.52739191 van der Waals (3105.06846s) stopped
T01 << 1462344383.70685101 XC 3D grid (3217.72355s) stopped
T01 >> 1462344383.70690203 Poisson (673.13318s) started
T01 << 1462344385.48488402 Poisson (674.91117s) stopped
T01 >> 1462344385.48497701 Hartree integrate/restrict (25.30907s) started
T01 << 1462344385.50395989 Hartree integrate/restrict (25.32805s) stopped
T01 >> 1462344385.50401902 Hartree integrate/restrict (25.32809s) started
T01 << 1462344385.56619596 Hartree integrate/restrict (25.39026s) stopped
T01 >> 1462344385.58640003 Atomic (1971.73931s) started
T01 >> 1462344385.59672999 XC Correction (1967.73332s) started
T01 << 1462344392.14707088 XC Correction (1974.28366s) stopped
T01 << 1462344392.15015888 Atomic (1978.30307s) stopped
T01 >> 1462344392.15030599 Communicate (1500.99766s) started
T01 << 1462344397.88937497 Communicate (1506.73673s) stopped
T01 << 1462344397.88940406 Hamiltonian (7414.01884s) stopped
T01 >> 1462344397.88949895 LCAO eigensolver (2657.18035s) started
T01 >> 1462344397.88951302 Potential matrix (84.73131s) started
T01 << 1462344398.14674592 Potential matrix (84.98855s) stopped
T01 >> 1462344398.14682198 DistributedAtomicCorrection (439.76045s) started
T01 << 1462344399.47887802 DistributedAtomicCorrection (441.09251s) stopped
T01 >> 1462344399.47894001 Distribute overlap matrix (383.91803s) started
T01 >> 1462344399.47896194 blocked summation (364.10904s) started
T01 << 1462344400.55030489 blocked summation (365.18038s) stopped
T01 >> 1462344400.55172491 Scalapack redistribute (19.33155s) started
T01 << 1462344400.61011600 Scalapack redistribute (19.38995s) stopped
T01 << 1462344400.61019206 Distribute overlap matrix (385.04928s) stopped
T01 >> 1462344400.61076188 Blacs Orbital Layouts (910.60613s) started
T01 >> 1462344400.61182499 General diagonalize (892.55932s) started
T01 << 1462344403.30792189 General diagonalize (895.25542s) stopped
T01 >> 1462344403.30798602 Redistribute coefs (0.94676s) started
T01 << 1462344403.31087089 Redistribute coefs (0.94964s) stopped
T01 >> 1462344403.31094694 Send coefs to domains (16.60533s) started
T01 << 1462344403.36180091 Send coefs to domains (16.65619s) stopped
T01 << 1462344403.36185408 Blacs Orbital Layouts (913.35723s) stopped
T01 >> 1462344403.36190200 Calculate projections (837.88838s) started
T01 << 1462344405.88531089 Calculate projections (840.41179s) stopped
T01 << 1462344405.88539195 LCAO eigensolver (2665.17624s) stopped
T01 >> 1462344405.88611889 Density (653.17357s) started
T01 >> 1462344405.88613200 Pseudo density (540.00576s) started
T01 >> 1462344405.88658905 Calculate density matrix (485.77431s) started
T01 << 1462344407.42012501 Calculate density matrix (487.30784s) stopped
T01 >> 1462344407.42021108 Construct density (53.48303s) started
T01 << 1462344407.59400010 Construct density (53.65682s) stopped
T01 >> 1462344407.59545112 Symmetrize density (0.01350s) started
T01 << 1462344407.59548211 Symmetrize density (0.01353s) stopped
T01 << 1462344407.59593701 Pseudo density (541.71556s) stopped
T01 >> 1462344407.59595799 Atomic density matrices (74.86248s) started
T01 << 1462344407.83540010 Atomic density matrices (75.10192s) stopped
T01 >> 1462344407.83543992 Multipole moments (1.21132s) started
T01 << 1462344407.83928609 Multipole moments (1.21517s) stopped
T01 >> 1462344407.83930898 Normalize (0.32838s) started
T01 << 1462344407.84036708 Normalize (0.32944s) stopped
T01 >> 1462344407.84040093 Mix (36.74524s) started
T01 << 1462344407.95529795 Mix (36.86014s) stopped
T01 << 1462344407.95537901 Density (655.24283s) stopped
T01 >> 1462344407.95545912 Hamiltonian (7414.01885s) started
T01 >> 1462344407.95547795 vbar (4.09655s) started
T01 << 1462344407.97098994 vbar (4.11206s) stopped
T01 >> 1462344407.97109199 XC 3D grid (3217.72359s) started
T01 >> 1462344408.14253306 van der Waals (3105.06851s) started
T01 >> 1462344408.18579006 semilocal (704.09937s) started
T01 << 1462344410.38333511 semilocal (706.29692s) stopped
T01 >> 1462344410.41716599 redistribute (349.83141s) started
T01 << 1462344410.82724309 redistribute (350.24149s) stopped
T01 >> 1462344410.82731199 libvdwxc nonlocal (2027.55062s) started
T01 << 1462344417.54735994 libvdwxc nonlocal (2034.27067s) stopped
T01 >> 1462344417.54742002 redistribute (350.24152s) started
T01 << 1462344418.19496608 redistribute (350.88907s) stopped
T01 << 1462344418.19595194 van der Waals (3115.12193s) stopped
T01 << 1462344418.37719989 XC 3D grid (3228.12970s) stopped
T01 >> 1462344418.37724900 Poisson (674.91124s) started
T01 << 1462344420.73518801 Poisson (677.26918s) stopped
T01 >> 1462344420.73526001 Hartree integrate/restrict (25.39030s) started
T01 << 1462344420.75408506 Hartree integrate/restrict (25.40912s) stopped
T01 >> 1462344420.75413704 Hartree integrate/restrict (25.40916s) started
T01 << 1462344420.82093501 Hartree integrate/restrict (25.47596s) stopped
T01 >> 1462344420.83903193 Atomic (1978.30309s) started
T01 >> 1462344420.84928203 XC Correction (1974.28368s) started
T01 << 1462344427.21483994 XC Correction (1980.64924s) stopped
T01 << 1462344427.21794510 Atomic (1984.68200s) stopped
T01 >> 1462344427.21809411 Communicate (1506.73675s) started
T01 << 1462344432.52838397 Communicate (1512.04704s) stopped
T01 << 1462344432.52841210 Hamiltonian (7438.59180s) stopped
T01 >> 1462344432.52850795 LCAO eigensolver (2665.17625s) started
T01 >> 1462344432.52852201 Potential matrix (84.98859s) started
T01 << 1462344432.78673196 Potential matrix (85.24680s) stopped
T01 >> 1462344432.78680611 DistributedAtomicCorrection (441.09254s) started
T01 << 1462344434.10644197 DistributedAtomicCorrection (442.41218s) stopped
T01 >> 1462344434.10650492 Distribute overlap matrix (385.04929s) started
T01 >> 1462344434.10652709 blocked summation (365.18042s) started
T01 << 1462344435.18489003 blocked summation (366.25879s) stopped
T01 >> 1462344435.18632793 Scalapack redistribute (19.38998s) started
T01 << 1462344435.24316502 Scalapack redistribute (19.44682s) stopped
T01 << 1462344435.24324298 Distribute overlap matrix (386.18603s) stopped
T01 >> 1462344435.24381208 Blacs Orbital Layouts (913.35724s) started
T01 >> 1462344435.24485493 General diagonalize (895.25545s) started
T01 << 1462344437.93793201 General diagonalize (897.94853s) stopped
T01 >> 1462344437.93799496 Redistribute coefs (0.94968s) started
T01 << 1462344437.94109607 Redistribute coefs (0.95278s) stopped
T01 >> 1462344437.94114208 Send coefs to domains (16.65623s) started
T01 << 1462344437.99078703 Send coefs to domains (16.70588s) stopped
T01 << 1462344437.99083996 Blacs Orbital Layouts (916.10426s) stopped
T01 >> 1462344437.99088597 Calculate projections (840.41185s) started
T01 << 1462344440.51444292 Calculate projections (842.93541s) stopped
T01 << 1462344440.51452303 LCAO eigensolver (2673.16227s) stopped
T01 >> 1462344440.51544595 Density (655.24285s) started
T01 >> 1462344440.51545906 Pseudo density (541.71558s) started
T01 >> 1462344440.51591396 Calculate density matrix (487.30789s) started
T01 << 1462344442.05022502 Calculate density matrix (488.84220s) stopped
T01 >> 1462344442.05031800 Construct density (53.65686s) started
T01 << 1462344442.22429490 Construct density (53.83083s) stopped
T01 >> 1462344442.22589397 Symmetrize density (0.01354s) started
T01 << 1462344442.22592711 Symmetrize density (0.01357s) stopped
T01 << 1462344442.22637010 Pseudo density (543.42649s) stopped
T01 >> 1462344442.22638893 Atomic density matrices (75.10195s) started
T01 << 1462344442.46448302 Atomic density matrices (75.34004s) stopped
T01 >> 1462344442.46452308 Multipole moments (1.21519s) started
T01 << 1462344442.46837211 Multipole moments (1.21903s) stopped
T01 >> 1462344442.46839499 Normalize (0.32946s) started
T01 << 1462344442.46945691 Normalize (0.33052s) stopped
T01 >> 1462344442.46949100 Mix (36.86022s) started
T01 << 1462344442.58358312 Mix (36.97431s) stopped
T01 << 1462344442.58367395 Density (657.31108s) stopped
T01 >> 1462344442.58375502 Hamiltonian (7438.59182s) started
T01 >> 1462344442.58377409 vbar (4.11212s) started
T01 << 1462344442.60064697 vbar (4.12900s) stopped
T01 >> 1462344442.60076404 XC 3D grid (3228.12973s) started
T01 >> 1462344442.77935195 van der Waals (3115.12197s) started
T01 >> 1462344442.82413912 semilocal (706.29706s) started
T01 << 1462344445.05643201 semilocal (708.52935s) stopped
T01 >> 1462344445.08903003 redistribute (350.88912s) started
T01 << 1462344445.45999002 redistribute (351.26008s) stopped
T01 >> 1462344445.46005988 libvdwxc nonlocal (2034.27071s) started
T01 << 1462344452.16593409 libvdwxc nonlocal (2040.97658s) stopped
T01 >> 1462344452.16601110 redistribute (351.26012s) started
T01 << 1462344452.80753803 redistribute (351.90164s) stopped
T01 << 1462344452.80870295 van der Waals (3125.15133s) stopped
T01 << 1462344452.98748803 XC 3D grid (3238.51646s) stopped
T01 >> 1462344452.98755097 Poisson (677.26923s) started
T01 << 1462344455.34158111 Poisson (679.62326s) stopped
T01 >> 1462344455.34171391 Hartree integrate/restrict (25.47601s) started
T01 << 1462344455.36041307 Hartree integrate/restrict (25.49471s) stopped
T01 >> 1462344455.36054397 Hartree integrate/restrict (25.49480s) started
T01 << 1462344455.42800999 Hartree integrate/restrict (25.56226s) stopped
T01 >> 1462344455.44506097 Atomic (1984.68202s) started
T01 >> 1462344455.45532107 XC Correction (1980.64926s) started
T01 << 1462344461.83537507 XC Correction (1987.02932s) stopped
T01 << 1462344461.83848691 Atomic (1991.07544s) stopped
T01 >> 1462344461.83863711 Communicate (1512.04706s) started
T01 << 1462344466.53805709 Communicate (1516.74648s) stopped
T01 << 1462344466.53808594 Hamiltonian (7462.54615s) stopped
T01 >> 1462344466.53817797 LCAO eigensolver (2673.16228s) started
T01 >> 1462344466.53819108 Potential matrix (85.24684s) started
T01 << 1462344466.79660010 Potential matrix (85.50524s) stopped
T01 >> 1462344466.79667997 DistributedAtomicCorrection (442.41222s) started
T01 << 1462344468.11641002 DistributedAtomicCorrection (443.73195s) stopped
T01 >> 1462344468.11647296 Distribute overlap matrix (386.18604s) started
T01 >> 1462344468.11649609 blocked summation (366.25883s) started
T01 << 1462344469.19234204 blocked summation (367.33467s) stopped
T01 >> 1462344469.19375300 Scalapack redistribute (19.44686s) started
T01 << 1462344469.25509095 Scalapack redistribute (19.50819s) stopped
T01 << 1462344469.25517106 Distribute overlap matrix (387.32474s) stopped
T01 >> 1462344469.25576496 Blacs Orbital Layouts (916.10428s) started
T01 >> 1462344469.25789809 General diagonalize (897.94857s) started
T01 << 1462344471.97395110 General diagonalize (900.66462s) stopped
T01 >> 1462344471.97401190 Redistribute coefs (0.95281s) started
T01 << 1462344471.97723103 Redistribute coefs (0.95603s) stopped
T01 >> 1462344471.97727799 Send coefs to domains (16.70592s) started
T01 << 1462344472.02780604 Send coefs to domains (16.75644s) stopped
T01 << 1462344472.02837992 Blacs Orbital Layouts (918.87689s) stopped
T01 >> 1462344472.02843595 Calculate projections (842.93546s) started
T01 << 1462344474.55182910 Calculate projections (845.45885s) stopped
T01 << 1462344474.55190992 LCAO eigensolver (2681.17601s) stopped
T01 >> 1462344474.55266190 Density (657.31110s) started
T01 >> 1462344474.55267596 Pseudo density (543.42650s) started
T01 >> 1462344474.55312991 Calculate density matrix (488.84225s) started
T01 << 1462344476.09054589 Calculate density matrix (490.37966s) stopped
T01 >> 1462344476.09062409 Construct density (53.83087s) started
T01 << 1462344476.26417398 Construct density (54.00442s) stopped
T01 >> 1462344476.26560903 Symmetrize density (0.01359s) started
T01 << 1462344476.26564193 Symmetrize density (0.01362s) stopped
T01 << 1462344476.26608610 Pseudo density (545.13991s) stopped
T01 >> 1462344476.26610708 Atomic density matrices (75.34007s) started
T01 << 1462344476.50564194 Atomic density matrices (75.57960s) stopped
T01 >> 1462344476.50568604 Multipole moments (1.21905s) started
T01 << 1462344476.50953197 Multipole moments (1.22290s) stopped
T01 >> 1462344476.50955391 Normalize (0.33055s) started
T01 << 1462344476.51060104 Normalize (0.33159s) stopped
T01 >> 1462344476.51063800 Mix (36.97440s) started
T01 << 1462344476.62876296 Mix (37.09252s) stopped
T01 << 1462344476.62880707 Density (659.38724s) stopped
T01 >> 1462344476.62887311 Hamiltonian (7462.54616s) started
T01 >> 1462344476.62889194 vbar (4.12906s) started
T01 << 1462344476.64556289 vbar (4.14573s) stopped
T01 >> 1462344476.64566803 XC 3D grid (3238.51651s) started
T01 >> 1462344476.81806707 van der Waals (3125.15138s) started
T01 >> 1462344476.86309195 semilocal (708.52942s) started
T01 << 1462344479.10533500 semilocal (710.77167s) stopped
T01 >> 1462344479.13784409 redistribute (351.90170s) started
T01 << 1462344479.51920891 redistribute (352.28306s) stopped
T01 >> 1462344479.51927710 libvdwxc nonlocal (2040.97663s) started
T01 << 1462344486.21513104 libvdwxc nonlocal (2047.67248s) stopped
T01 >> 1462344486.21520591 redistribute (352.28310s) started
T01 << 1462344486.87612700 redistribute (352.94402s) stopped
T01 << 1462344486.87757397 van der Waals (3135.21089s) stopped
T01 << 1462344487.05277991 XC 3D grid (3248.92362s) stopped
T01 >> 1462344487.05283093 Poisson (679.62336s) started
T01 << 1462344489.41572094 Poisson (681.98625s) stopped
T01 >> 1462344489.41580391 Hartree integrate/restrict (25.56232s) started
T01 << 1462344489.43441796 Hartree integrate/restrict (25.58093s) stopped
T01 >> 1462344489.43447995 Hartree integrate/restrict (25.58097s) started
T01 << 1462344489.49752307 Hartree integrate/restrict (25.64401s) stopped
T01 >> 1462344489.51706600 Atomic (1991.07546s) started
T01 >> 1462344489.52750897 XC Correction (1987.02934s) started
T01 << 1462344495.96513891 XC Correction (1993.46697s) stopped
T01 << 1462344495.96823096 Atomic (1997.52663s) stopped
T01 >> 1462344495.96837902 Communicate (1516.74650s) started
T01 << 1462344500.60553694 Communicate (1521.38365s) stopped
T01 << 1462344500.60556293 Hamiltonian (7486.52285s) stopped
T01 >> 1462344500.60565495 LCAO eigensolver (2681.17603s) started
T01 >> 1462344500.60567307 Potential matrix (85.50529s) started
T01 << 1462344500.86364293 Potential matrix (85.76326s) stopped
T01 >> 1462344500.86371994 DistributedAtomicCorrection (443.73199s) started
T01 << 1462344502.19268394 DistributedAtomicCorrection (445.06095s) stopped
T01 >> 1462344502.19274807 Distribute overlap matrix (387.32475s) started
T01 >> 1462344502.19277096 blocked summation (367.33471s) started
T01 << 1462344503.24419093 blocked summation (368.38613s) stopped
T01 >> 1462344503.24608707 Scalapack redistribute (19.50823s) started
T01 << 1462344503.30479288 Scalapack redistribute (19.56694s) stopped
T01 << 1462344503.30487204 Distribute overlap matrix (388.43687s) stopped
T01 >> 1462344503.30545092 Blacs Orbital Layouts (918.87691s) started
T01 >> 1462344503.30660605 General diagonalize (900.66466s) started
T01 << 1462344506.01406002 General diagonalize (903.37211s) stopped
T01 >> 1462344506.01412296 Redistribute coefs (0.95607s) started
T01 << 1462344506.01769400 Redistribute coefs (0.95964s) stopped
T01 >> 1462344506.01774096 Send coefs to domains (16.75649s) started
T01 << 1462344506.06775999 Send coefs to domains (16.80650s) stopped
T01 << 1462344506.06807399 Blacs Orbital Layouts (921.63953s) stopped
T01 >> 1462344506.06812501 Calculate projections (845.45891s) started
T01 << 1462344508.59155798 Calculate projections (847.98234s) stopped
T01 << 1462344508.59183502 LCAO eigensolver (2689.16221s) stopped
T01 >> 1462344508.59256792 Density (659.38725s) started
T01 >> 1462344508.59258103 Pseudo density (545.13993s) started
T01 >> 1462344508.59303689 Calculate density matrix (490.37970s) started
T01 << 1462344510.13380599 Calculate density matrix (491.92047s) stopped
T01 >> 1462344510.13388300 Construct density (54.00446s) started
T01 << 1462344510.30763793 Construct density (54.17821s) stopped
T01 >> 1462344510.30999589 Symmetrize density (0.01363s) started
T01 << 1462344510.31002903 Symmetrize density (0.01366s) stopped
T01 << 1462344510.31047106 Pseudo density (546.85782s) stopped
T01 >> 1462344510.31049109 Atomic density matrices (75.57964s) started
T01 << 1462344510.54826307 Atomic density matrices (75.81741s) stopped
T01 >> 1462344510.54830289 Multipole moments (1.22291s) started
T01 << 1462344510.55210495 Multipole moments (1.22671s) stopped
T01 >> 1462344510.55212808 Normalize (0.33162s) started
T01 << 1462344510.55318189 Normalize (0.33267s) stopped
T01 >> 1462344510.55321789 Mix (37.09256s) started
T01 << 1462344510.67432904 Mix (37.21367s) stopped
T01 << 1462344510.67443109 Density (661.46912s) stopped
T01 >> 1462344510.67451906 Hamiltonian (7486.52286s) started
T01 >> 1462344510.67453790 vbar (4.14579s) started
T01 << 1462344510.69074392 vbar (4.16200s) stopped
T01 >> 1462344510.69082093 XC 3D grid (3248.92366s) started
T01 >> 1462344510.86338210 van der Waals (3135.21095s) started
T01 >> 1462344510.90696907 semilocal (710.77173s) started
T01 << 1462344513.12853909 semilocal (712.99330s) stopped
T01 >> 1462344513.16076207 redistribute (352.94409s) started
T01 << 1462344513.54332709 redistribute (353.32666s) stopped
T01 >> 1462344513.54339600 libvdwxc nonlocal (2047.67253s) started
T01 << 1462344520.23348403 libvdwxc nonlocal (2054.36262s) stopped
T01 >> 1462344520.23355603 redistribute (353.32670s) started
T01 << 1462344520.89751911 redistribute (353.99066s) stopped
T01 << 1462344520.89861608 van der Waals (3145.24618s) stopped
T01 << 1462344521.07098103 XC 3D grid (3259.30382s) stopped
T01 >> 1462344521.07103300 Poisson (681.98632s) started
T01 << 1462344523.43296909 Poisson (684.34825s) stopped
T01 >> 1462344523.43306208 Hartree integrate/restrict (25.64405s) started
T01 << 1462344523.45213008 Hartree integrate/restrict (25.66312s) stopped
T01 >> 1462344523.45221090 Hartree integrate/restrict (25.66317s) started
T01 << 1462344523.51370597 Hartree integrate/restrict (25.72467s) stopped
T01 >> 1462344523.53563094 Atomic (1997.52664s) started
T01 >> 1462344523.54611111 XC Correction (1993.46699s) started
T01 << 1462344530.00398111 XC Correction (1999.92486s) stopped
T01 << 1462344530.00711393 Atomic (2003.99813s) stopped
T01 >> 1462344530.00726104 Communicate (1521.38367s) started
T01 << 1462344534.63407803 Communicate (1526.01049s) stopped
T01 << 1462344534.63410711 Hamiltonian (7510.48245s) stopped
T01 >> 1462344534.63420296 LCAO eigensolver (2689.16223s) started
T01 >> 1462344534.63423800 Potential matrix (85.76330s) started
T01 << 1462344534.89289808 Potential matrix (86.02196s) stopped
T01 >> 1462344534.89297104 DistributedAtomicCorrection (445.06099s) started
T01 << 1462344536.23840499 DistributedAtomicCorrection (446.40642s) stopped
T01 >> 1462344536.23846889 Distribute overlap matrix (388.43689s) started
T01 >> 1462344536.23849106 blocked summation (368.38617s) started
T01 << 1462344537.27891302 blocked summation (369.42659s) stopped
T01 >> 1462344537.28073192 Scalapack redistribute (19.56697s) started
T01 << 1462344537.33937597 Scalapack redistribute (19.62562s) stopped
T01 << 1462344537.33945298 Distribute overlap matrix (389.53787s) stopped
T01 >> 1462344537.34004402 Blacs Orbital Layouts (921.63955s) started
T01 >> 1462344537.34118295 General diagonalize (903.37215s) started
T01 << 1462344540.04077792 General diagonalize (906.07174s) stopped
T01 >> 1462344540.04083991 Redistribute coefs (0.95968s) started
T01 << 1462344540.04453492 Redistribute coefs (0.96337s) stopped
T01 >> 1462344540.04457998 Send coefs to domains (16.80655s) started
T01 << 1462344540.09425902 Send coefs to domains (16.85622s) stopped
T01 << 1462344540.09456301 Blacs Orbital Layouts (924.39407s) stopped
T01 >> 1462344540.09462094 Calculate projections (847.98239s) started
T01 << 1462344542.61803603 Calculate projections (850.50581s) stopped
T01 << 1462344542.61831093 LCAO eigensolver (2697.14633s) stopped
T01 >> 1462344542.61921310 Density (661.46913s) started
T01 >> 1462344542.61922598 Pseudo density (546.85783s) started
T01 >> 1462344542.61967301 Calculate density matrix (491.92051s) started
T01 << 1462344544.16111898 Calculate density matrix (493.46196s) stopped
T01 >> 1462344544.16120195 Construct density (54.17825s) started
T01 << 1462344544.33506107 Construct density (54.35211s) stopped
T01 >> 1462344544.33667588 Symmetrize density (0.01368s) started
T01 << 1462344544.33670807 Symmetrize density (0.01371s) stopped
T01 << 1462344544.33714890 Pseudo density (548.57576s) stopped
T01 >> 1462344544.33716893 Atomic density matrices (75.81743s) started
T01 << 1462344544.57717109 Atomic density matrices (76.05744s) stopped
T01 >> 1462344544.57721210 Multipole moments (1.22673s) started
T01 << 1462344544.58100605 Multipole moments (1.23052s) stopped
T01 >> 1462344544.58102798 Normalize (0.33270s) started
T01 << 1462344544.58209109 Normalize (0.33376s) stopped
T01 >> 1462344544.58212709 Mix (37.21377s) started
T01 << 1462344544.70019603 Mix (37.33184s) stopped
T01 << 1462344544.70028710 Density (663.55021s) stopped
T01 >> 1462344544.70037198 Hamiltonian (7510.48246s) started
T01 >> 1462344544.70039010 vbar (4.16204s) started
T01 << 1462344544.71738696 vbar (4.17904s) stopped
T01 >> 1462344544.71749711 XC 3D grid (3259.30386s) started
T01 >> 1462344544.88873100 van der Waals (3145.24621s) started
T01 >> 1462344544.93399501 semilocal (712.99338s) started
T01 << 1462344547.13440204 semilocal (715.19379s) stopped
T01 >> 1462344547.16881609 redistribute (353.99076s) started
T01 << 1462344547.56862712 redistribute (354.39057s) stopped
T01 >> 1462344547.56869793 libvdwxc nonlocal (2054.36267s) started
T01 << 1462344554.24651408 libvdwxc nonlocal (2061.04048s) stopped
T01 >> 1462344554.24658990 redistribute (354.39061s) started
T01 << 1462344554.90182805 redistribute (355.04585s) stopped
T01 << 1462344554.90306711 van der Waals (3155.26055s) stopped
T01 << 1462344555.08414292 XC 3D grid (3269.67050s) stopped
T01 >> 1462344555.08418798 Poisson (684.34833s) started
T01 << 1462344557.44872594 Poisson (686.71286s) stopped
T01 >> 1462344557.44879889 Hartree integrate/restrict (25.72471s) started
T01 << 1462344557.46788907 Hartree integrate/restrict (25.74380s) stopped
T01 >> 1462344557.46793604 Hartree integrate/restrict (25.74383s) started
T01 << 1462344557.53547692 Hartree integrate/restrict (25.81137s) stopped
T01 >> 1462344557.54830098 Atomic (2003.99814s) started
T01 >> 1462344557.55878711 XC Correction (1999.92489s) started
T01 << 1462344563.99172497 XC Correction (2006.35783s) stopped
T01 << 1462344563.99484801 Atomic (2010.44469s) stopped
T01 >> 1462344563.99499512 Communicate (1526.01051s) started
T01 << 1462344568.67289305 Communicate (1530.68841s) stopped
T01 << 1462344568.67292094 Hamiltonian (7534.45501s) stopped
T01 >> 1462344568.67301702 LCAO eigensolver (2697.14635s) started
T01 >> 1462344568.67303205 Potential matrix (86.02200s) started
T01 << 1462344568.93140697 Potential matrix (86.28037s) stopped
T01 >> 1462344568.93148208 DistributedAtomicCorrection (446.40646s) started
T01 << 1462344570.27691007 DistributedAtomicCorrection (447.75189s) stopped
T01 >> 1462344570.27697396 Distribute overlap matrix (389.53788s) started
T01 >> 1462344570.27699709 blocked summation (369.42663s) started
T01 << 1462344571.33846688 blocked summation (370.48810s) stopped
T01 >> 1462344571.34078789 Scalapack redistribute (19.62565s) started
T01 << 1462344571.39782310 Scalapack redistribute (19.68269s) stopped
T01 << 1462344571.39790010 Distribute overlap matrix (390.65881s) stopped
T01 >> 1462344571.39851308 Blacs Orbital Layouts (924.39409s) started
T01 >> 1462344571.39986992 General diagonalize (906.07178s) started
T01 << 1462344574.10651112 General diagonalize (908.77842s) stopped
T01 >> 1462344574.10657406 Redistribute coefs (0.96340s) started
T01 << 1462344574.10997796 Redistribute coefs (0.96681s) stopped
T01 >> 1462344574.11002302 Send coefs to domains (16.85627s) started
T01 << 1462344574.16074896 Send coefs to domains (16.90699s) stopped
T01 << 1462344574.16109490 Blacs Orbital Layouts (927.15667s) stopped
T01 >> 1462344574.16114807 Calculate projections (850.50586s) started
T01 << 1462344576.68448400 Calculate projections (853.02920s) stopped
T01 << 1462344576.68492889 LCAO eigensolver (2705.15826s) stopped
T01 >> 1462344576.68565702 Density (663.55023s) started
T01 >> 1462344576.68567395 Pseudo density (548.57577s) started
T01 >> 1462344576.68613005 Calculate density matrix (493.46200s) started
T01 << 1462344578.22644401 Calculate density matrix (495.00232s) stopped
T01 >> 1462344578.22652888 Construct density (54.35215s) started
T01 << 1462344578.40001106 Construct density (54.52563s) stopped
T01 >> 1462344578.40151310 Symmetrize density (0.01372s) started
T01 << 1462344578.40154409 Symmetrize density (0.01375s) stopped
T01 << 1462344578.40199304 Pseudo density (550.29209s) stopped
T01 >> 1462344578.40201306 Atomic density matrices (76.05746s) started
T01 << 1462344578.64242601 Atomic density matrices (76.29788s) stopped
T01 >> 1462344578.64246702 Multipole moments (1.23054s) started
T01 << 1462344578.64625692 Multipole moments (1.23433s) stopped
T01 >> 1462344578.64628005 Normalize (0.33379s) started
T01 << 1462344578.64733911 Normalize (0.33485s) stopped
T01 >> 1462344578.64737391 Mix (37.33193s) started
T01 << 1462344578.76598191 Mix (37.45054s) stopped
T01 << 1462344578.76606894 Density (665.63064s) stopped
T01 >> 1462344578.76614690 Hamiltonian (7534.45503s) started
T01 >> 1462344578.76616502 vbar (4.17910s) started
T01 << 1462344578.78309393 vbar (4.19603s) stopped
T01 >> 1462344578.78320003 XC 3D grid (3269.67054s) started
T01 >> 1462344578.96048999 van der Waals (3155.26060s) started
T01 >> 1462344579.00447202 semilocal (715.19385s) started
T01 << 1462344581.22970700 semilocal (717.41908s) stopped
T01 >> 1462344581.26325297 redistribute (355.04590s) started
T01 << 1462344581.65062308 redistribute (355.43327s) stopped
T01 >> 1462344581.65069604 libvdwxc nonlocal (2061.04053s) started
T01 << 1462344588.33861399 libvdwxc nonlocal (2067.72845s) stopped
T01 >> 1462344588.33870792 redistribute (355.43331s) started
T01 << 1462344588.98953104 redistribute (356.08413s) stopped
T01 << 1462344588.99075699 van der Waals (3165.29087s) stopped
T01 << 1462344589.17228389 XC 3D grid (3280.05962s) stopped
T01 >> 1462344589.17233801 Poisson (686.71292s) started
T01 << 1462344590.95637703 Poisson (688.49696s) stopped
T01 >> 1462344590.95647311 Hartree integrate/restrict (25.81141s) started
T01 << 1462344590.97516990 Hartree integrate/restrict (25.83010s) stopped
T01 >> 1462344590.97532010 Hartree integrate/restrict (25.83021s) started
T01 << 1462344591.03757405 Hartree integrate/restrict (25.89247s) stopped
T01 >> 1462344591.05761409 Atomic (2010.44471s) started
T01 >> 1462344591.06813908 XC Correction (2006.35785s) started
T01 << 1462344597.61717391 XC Correction (2012.90688s) stopped
T01 << 1462344597.62030602 Atomic (2017.00740s) stopped
T01 >> 1462344597.62045193 Communicate (1530.68843s) started
T01 << 1462344602.24199295 Communicate (1535.30997s) stopped
T01 << 1462344602.24203205 Hamiltonian (7557.93091s) stopped
T01 >> 1462344602.24215889 LCAO eigensolver (2705.15828s) started
T01 >> 1462344602.24217391 Potential matrix (86.28041s) started
T01 << 1462344602.50052309 Potential matrix (86.53876s) stopped
T01 >> 1462344602.50060010 DistributedAtomicCorrection (447.75193s) started
T01 << 1462344603.84643102 DistributedAtomicCorrection (449.09776s) stopped
T01 >> 1462344603.84649301 Distribute overlap matrix (390.65882s) started
T01 >> 1462344603.84651589 blocked summation (370.48813s) started
T01 << 1462344604.87022901 blocked summation (371.51185s) stopped
T01 >> 1462344604.87200904 Scalapack redistribute (19.68273s) started
T01 << 1462344604.93098092 Scalapack redistribute (19.74170s) stopped
T01 << 1462344604.93105793 Distribute overlap matrix (391.74339s) stopped
T01 >> 1462344604.93164396 Blacs Orbital Layouts (927.15669s) started
T01 >> 1462344604.93278289 General diagonalize (908.77846s) started
T01 << 1462344607.63384295 General diagonalize (911.47952s) stopped
T01 >> 1462344607.63390708 Redistribute coefs (0.96684s) started
T01 << 1462344607.63759303 Redistribute coefs (0.97053s) stopped
T01 >> 1462344607.63764000 Send coefs to domains (16.90704s) started
T01 << 1462344607.68687606 Send coefs to domains (16.95628s) stopped
T01 << 1462344607.68719912 Blacs Orbital Layouts (929.91224s) stopped
T01 >> 1462344607.68725610 Calculate projections (853.02925s) started
T01 << 1462344610.21079898 Calculate projections (855.55280s) stopped
T01 << 1462344610.21107602 LCAO eigensolver (2713.12720s) stopped
T01 >> 1462344610.21179390 Density (665.63065s) started
T01 >> 1462344610.21180701 Pseudo density (550.29211s) started
T01 >> 1462344610.21226001 Calculate density matrix (495.00236s) started
T01 << 1462344611.75807405 Calculate density matrix (496.54817s) stopped
T01 >> 1462344611.75816202 Construct density (54.52567s) started
T01 << 1462344611.93204689 Construct density (54.69955s) stopped
T01 >> 1462344611.93348503 Symmetrize density (0.01376s) started
T01 << 1462344611.93351793 Symmetrize density (0.01379s) stopped
T01 << 1462344611.93396902 Pseudo density (552.01427s) stopped
T01 >> 1462344611.93398905 Atomic density matrices (76.29791s) started
T01 << 1462344612.17381310 Atomic density matrices (76.53773s) stopped
T01 >> 1462344612.17385292 Multipole moments (1.23434s) started
T01 << 1462344612.17764497 Multipole moments (1.23814s) stopped
T01 >> 1462344612.17767000 Normalize (0.33487s) started
T01 << 1462344612.17873001 Normalize (0.33593s) stopped
T01 >> 1462344612.17876792 Mix (37.45062s) started
T01 << 1462344612.29925799 Mix (37.57111s) stopped
T01 << 1462344612.29934812 Density (667.71821s) stopped
T01 >> 1462344612.29942012 Hamiltonian (7557.93092s) started
T01 >> 1462344612.29943800 vbar (4.19609s) started
T01 << 1462344612.31576490 vbar (4.21242s) stopped
T01 >> 1462344612.31587410 XC 3D grid (3280.05967s) started
T01 >> 1462344612.49297500 van der Waals (3165.29094s) started
T01 >> 1462344612.53642511 semilocal (717.41923s) started
T01 << 1462344614.75478101 semilocal (719.63758s) stopped
T01 >> 1462344614.78724599 redistribute (356.08419s) started
T01 << 1462344615.17031407 redistribute (356.46725s) stopped
T01 >> 1462344615.17038298 libvdwxc nonlocal (2067.72852s) started
T01 << 1462344621.86491990 libvdwxc nonlocal (2074.42306s) stopped
T01 >> 1462344621.86499095 redistribute (356.46729s) started
T01 << 1462344622.52877402 redistribute (357.13108s) stopped
T01 << 1462344622.53007102 van der Waals (3175.32803s) stopped
T01 << 1462344622.70191789 XC 3D grid (3290.44571s) stopped
T01 >> 1462344622.70196509 Poisson (688.49703s) started
T01 << 1462344624.48310804 Poisson (690.27817s) stopped
T01 >> 1462344624.48318100 Hartree integrate/restrict (25.89251s) started
T01 << 1462344624.50197506 Hartree integrate/restrict (25.91131s) stopped
T01 >> 1462344624.50205898 Hartree integrate/restrict (25.91137s) started
T01 << 1462344624.56449103 Hartree integrate/restrict (25.97380s) stopped
T01 >> 1462344624.58091807 Atomic (2017.00742s) started
T01 >> 1462344624.59144902 XC Correction (2012.90691s) started
T01 << 1462344631.02746797 XC Correction (2019.34293s) stopped
T01 << 1462344631.03060293 Atomic (2023.45710s) stopped
T01 >> 1462344631.03075290 Communicate (1535.30999s) started
T01 << 1462344635.76679397 Communicate (1540.04603s) stopped
T01 << 1462344635.76682210 Hamiltonian (7581.39833s) stopped
T01 >> 1462344635.76691794 LCAO eigensolver (2713.12722s) started
T01 >> 1462344635.76693201 Potential matrix (86.53880s) started
T01 << 1462344636.02557707 Potential matrix (86.79745s) stopped
T01 >> 1462344636.02565098 DistributedAtomicCorrection (449.09780s) started
T01 << 1462344637.36422396 DistributedAtomicCorrection (450.43637s) stopped
T01 >> 1462344637.36428595 Distribute overlap matrix (391.74340s) started
T01 >> 1462344637.36430907 blocked summation (371.51189s) started
T01 << 1462344638.39789796 blocked summation (372.54547s) stopped
T01 >> 1462344638.39974809 Scalapack redistribute (19.74173s) started
T01 << 1462344638.46003294 Scalapack redistribute (19.80202s) stopped
T01 << 1462344638.46011209 Distribute overlap matrix (392.83922s) stopped
T01 >> 1462344638.46068311 Blacs Orbital Layouts (929.91226s) started
T01 >> 1462344638.46181989 General diagonalize (911.47956s) started
T01 << 1462344641.14715195 General diagonalize (914.16489s) stopped
T01 >> 1462344641.14721298 Redistribute coefs (0.97057s) started
T01 << 1462344641.15081501 Redistribute coefs (0.97417s) stopped
T01 >> 1462344641.15086198 Send coefs to domains (16.95632s) started
T01 << 1462344641.20027995 Send coefs to domains (17.00574s) stopped
T01 << 1462344641.20057511 Blacs Orbital Layouts (932.65215s) stopped
T01 >> 1462344641.20062709 Calculate projections (855.55285s) started
T01 << 1462344643.72419310 Calculate projections (858.07642s) stopped
T01 << 1462344643.72447109 LCAO eigensolver (2721.08477s) stopped
T01 >> 1462344643.72536111 Density (667.71822s) started
T01 >> 1462344643.72537303 Pseudo density (552.01428s) started
T01 >> 1462344643.72583508 Calculate density matrix (496.54821s) started
T01 << 1462344645.26174307 Calculate density matrix (498.08412s) stopped
T01 >> 1462344645.26182103 Construct density (54.69959s) started
T01 << 1462344645.43573809 Construct density (54.87351s) stopped
T01 >> 1462344645.43823695 Symmetrize density (0.01381s) started
T01 << 1462344645.43827105 Symmetrize density (0.01384s) stopped
T01 << 1462344645.43872094 Pseudo density (553.72763s) stopped
T01 >> 1462344645.43874097 Atomic density matrices (76.53776s) started
T01 << 1462344645.67693996 Atomic density matrices (76.77596s) stopped
T01 >> 1462344645.67698097 Multipole moments (1.23815s) started
T01 << 1462344645.68079901 Multipole moments (1.24197s) stopped
T01 >> 1462344645.68082190 Normalize (0.33596s) started
T01 << 1462344645.68188906 Normalize (0.33703s) stopped
T01 >> 1462344645.68192410 Mix (37.57120s) started
T01 << 1462344645.80023408 Mix (37.68951s) stopped
T01 << 1462344645.80032897 Density (669.79319s) stopped
T01 >> 1462344645.80041003 Hamiltonian (7581.39834s) started
T01 >> 1462344645.80042791 vbar (4.21248s) started
T01 << 1462344645.81760812 vbar (4.22966s) stopped
T01 >> 1462344645.81773710 XC 3D grid (3290.44575s) started
T01 >> 1462344645.99030709 van der Waals (3175.32814s) started
T01 >> 1462344646.03547001 semilocal (719.63765s) started
T01 << 1462344648.24375200 semilocal (721.84593s) stopped
T01 >> 1462344648.27710104 redistribute (357.13113s) started
T01 << 1462344648.67838812 redistribute (357.53242s) stopped
T01 >> 1462344648.67845702 libvdwxc nonlocal (2074.42310s) started
T01 << 1462344655.35672092 libvdwxc nonlocal (2081.10137s) stopped
T01 >> 1462344655.35680795 redistribute (357.53245s) started
T01 << 1462344656.00563097 redistribute (358.18128s) stopped
T01 << 1462344656.00673389 van der Waals (3185.34457s) stopped
T01 << 1462344656.18680906 XC 3D grid (3300.81482s) stopped
T01 >> 1462344656.18686008 Poisson (690.27823s) started
T01 << 1462344657.96442103 Poisson (692.05579s) stopped
T01 >> 1462344657.96449208 Hartree integrate/restrict (25.97383s) started
T01 << 1462344657.98355508 Hartree integrate/restrict (25.99290s) stopped
T01 >> 1462344657.98363996 Hartree integrate/restrict (25.99296s) started
T01 << 1462344658.04971004 Hartree integrate/restrict (26.05903s) stopped
T01 >> 1462344658.06723499 Atomic (2023.45712s) started
T01 >> 1462344658.07782888 XC Correction (2019.34295s) started
T01 << 1462344664.50936198 XC Correction (2025.77448s) stopped
T01 << 1462344664.51250291 Atomic (2029.90239s) stopped
T01 >> 1462344664.51265001 Communicate (1540.04605s) started
T01 << 1462344668.97301292 Communicate (1544.50642s) stopped
T01 << 1462344668.97304010 Hamiltonian (7604.57097s) stopped
T01 >> 1462344668.97313404 LCAO eigensolver (2721.08479s) started
T01 >> 1462344668.97314811 Potential matrix (86.79749s) started
T01 << 1462344669.23221993 Potential matrix (87.05656s) stopped
T01 >> 1462344669.23229289 DistributedAtomicCorrection (450.43641s) started
T01 << 1462344670.58389902 DistributedAtomicCorrection (451.78801s) stopped
T01 >> 1462344670.58396292 Distribute overlap matrix (392.83924s) started
T01 >> 1462344670.58398509 blocked summation (372.54551s) started
T01 << 1462344671.61053801 blocked summation (373.57206s) stopped
T01 >> 1462344671.61281896 Scalapack redistribute (19.80205s) started
T01 << 1462344671.67106605 Scalapack redistribute (19.86030s) stopped
T01 << 1462344671.67114401 Distribute overlap matrix (393.92642s) stopped
T01 >> 1462344671.67173004 Blacs Orbital Layouts (932.65217s) started
T01 >> 1462344671.67286706 General diagonalize (914.16493s) started
T01 << 1462344674.38895106 General diagonalize (916.88101s) stopped
T01 >> 1462344674.38901496 Redistribute coefs (0.97420s) started
T01 << 1462344674.39167190 Redistribute coefs (0.97686s) stopped
T01 >> 1462344674.39175391 Send coefs to domains (17.00578s) started
T01 << 1462344674.44284201 Send coefs to domains (17.05687s) stopped
T01 << 1462344674.44312811 Blacs Orbital Layouts (935.42357s) stopped
T01 >> 1462344674.44318104 Calculate projections (858.07647s) started
T01 << 1462344676.96674204 Calculate projections (860.60003s) stopped
T01 << 1462344676.96717501 LCAO eigensolver (2729.07883s) stopped
T01 >> 1462344676.96790195 Density (669.79321s) started
T01 >> 1462344676.96791506 Pseudo density (553.72765s) started
T01 >> 1462344676.96836901 Calculate density matrix (498.08416s) started
T01 << 1462344678.50427389 Calculate density matrix (499.62007s) stopped
T01 >> 1462344678.50435209 Construct density (54.87354s) started
T01 << 1462344678.67780709 Construct density (55.04700s) stopped
T01 >> 1462344678.67924809 Symmetrize density (0.01385s) started
T01 << 1462344678.67928004 Symmetrize density (0.01388s) stopped
T01 << 1462344678.67973089 Pseudo density (555.43946s) stopped
T01 >> 1462344678.67975092 Atomic density matrices (76.77599s) started
T01 << 1462344678.91865897 Atomic density matrices (77.01489s) stopped
T01 >> 1462344678.91870308 Multipole moments (1.24198s) started
T01 << 1462344678.92249799 Multipole moments (1.24578s) stopped
T01 >> 1462344678.92251992 Normalize (0.33705s) started
T01 << 1462344678.92356896 Normalize (0.33810s) stopped
T01 >> 1462344678.92360497 Mix (37.68960s) started
T01 << 1462344679.04386497 Mix (37.80986s) stopped
T01 << 1462344679.04397607 Density (671.86928s) stopped
T01 >> 1462344679.04406691 Hamiltonian (7604.57098s) started
T01 >> 1462344679.04408598 vbar (4.22974s) started
T01 << 1462344679.06018496 vbar (4.24584s) stopped
T01 >> 1462344679.06027508 XC 3D grid (3300.81485s) started
T01 >> 1462344679.23786211 van der Waals (3185.34461s) started
T01 >> 1462344679.28241992 semilocal (721.84601s) started
T01 << 1462344681.52162290 semilocal (724.08521s) stopped
T01 >> 1462344681.55356097 redistribute (358.18133s) started
T01 << 1462344681.93331790 redistribute (358.56108s) stopped
T01 >> 1462344681.93338704 libvdwxc nonlocal (2081.10143s) started
T01 << 1462344688.63717389 libvdwxc nonlocal (2087.80522s) stopped
T01 >> 1462344688.63724208 redistribute (358.56112s) started
T01 << 1462344689.28583407 redistribute (359.20971s) stopped
T01 << 1462344689.28703904 van der Waals (3195.39379s) stopped
T01 << 1462344689.46756792 XC 3D grid (3311.22215s) stopped
T01 >> 1462344689.46762705 Poisson (692.05584s) started
T01 << 1462344691.25100803 Poisson (693.83922s) stopped
T01 >> 1462344691.25109696 Hartree integrate/restrict (26.05908s) started
T01 << 1462344691.26962805 Hartree integrate/restrict (26.07762s) stopped
T01 >> 1462344691.26977205 Hartree integrate/restrict (26.07772s) started
T01 << 1462344691.33204293 Hartree integrate/restrict (26.13999s) stopped
T01 >> 1462344691.35245991 Atomic (2029.90241s) started
T01 >> 1462344691.36301208 XC Correction (2025.77451s) started
T01 << 1462344697.75529194 XC Correction (2032.16679s) stopped
T01 << 1462344697.75844002 Atomic (2036.30839s) stopped
T01 >> 1462344697.75859189 Communicate (1544.50643s) started
T01 << 1462344702.26597404 Communicate (1549.01381s) stopped
T01 << 1462344702.26600194 Hamiltonian (7627.79292s) stopped
T01 >> 1462344702.26609707 LCAO eigensolver (2729.07885s) started
T01 >> 1462344702.26611090 Potential matrix (87.05660s) started
T01 << 1462344702.52348590 Potential matrix (87.31397s) stopped
T01 >> 1462344702.52356005 DistributedAtomicCorrection (451.78805s) started
T01 << 1462344703.85644698 DistributedAtomicCorrection (453.12094s) stopped
T01 >> 1462344703.85651112 Distribute overlap matrix (393.92643s) started
T01 >> 1462344703.85653400 blocked summation (373.57210s) started
T01 << 1462344704.91712689 blocked summation (374.63269s) stopped
T01 >> 1462344704.91849995 Scalapack redistribute (19.86034s) started
T01 << 1462344704.97868705 Scalapack redistribute (19.92053s) stopped
T01 << 1462344704.97876406 Distribute overlap matrix (395.04868s) stopped
T01 >> 1462344704.97933698 Blacs Orbital Layouts (935.42358s) started
T01 >> 1462344704.98048401 General diagonalize (916.88105s) started
T01 << 1462344707.68493390 General diagonalize (919.58550s) stopped
T01 >> 1462344707.68499708 Redistribute coefs (0.97690s) started
T01 << 1462344707.68857503 Redistribute coefs (0.98048s) stopped
T01 >> 1462344707.68862295 Send coefs to domains (17.05691s) started
T01 << 1462344707.73800898 Send coefs to domains (17.10630s) stopped
T01 << 1462344707.73830295 Blacs Orbital Layouts (938.18255s) stopped
T01 >> 1462344707.73835611 Calculate projections (860.60008s) started
T01 << 1462344710.26189709 Calculate projections (863.12362s) stopped
T01 << 1462344710.26197696 LCAO eigensolver (2737.07473s) stopped
T01 >> 1462344710.26273799 Density (671.86930s) started
T01 >> 1462344710.26275110 Pseudo density (555.43948s) started
T01 >> 1462344710.26320100 Calculate density matrix (499.62011s) started
T01 << 1462344711.79540110 Calculate density matrix (501.15231s) stopped
T01 >> 1462344711.79548097 Construct density (55.04703s) started
T01 << 1462344711.96932507 Construct density (55.22088s) stopped
T01 >> 1462344711.97076607 Symmetrize density (0.01390s) started
T01 << 1462344711.97079706 Symmetrize density (0.01393s) stopped
T01 << 1462344711.97124004 Pseudo density (557.14797s) stopped
T01 >> 1462344711.97126007 Atomic density matrices (77.01492s) started
T01 << 1462344712.21100593 Atomic density matrices (77.25467s) stopped
T01 >> 1462344712.21104598 Multipole moments (1.24579s) started
T01 << 1462344712.21487999 Multipole moments (1.24963s) stopped
T01 >> 1462344712.21490192 Normalize (0.33812s) started
T01 << 1462344712.21596408 Normalize (0.33919s) stopped
T01 >> 1462344712.21599889 Mix (37.80997s) started
T01 << 1462344712.33764911 Mix (37.93162s) stopped
T01 << 1462344712.33772993 Density (673.94429s) stopped
T01 >> 1462344712.33780289 Hamiltonian (7627.79293s) started
T01 >> 1462344712.33782196 vbar (4.24589s) started
T01 << 1462344712.35419893 vbar (4.26226s) stopped
T01 >> 1462344712.35426497 XC 3D grid (3311.22219s) started
T01 >> 1462344712.53315806 van der Waals (3195.39382s) started
T01 >> 1462344712.57612610 semilocal (724.08532s) started
T01 << 1462344714.80504990 semilocal (726.31424s) stopped
T01 >> 1462344714.83620596 redistribute (359.20976s) started
T01 << 1462344715.21448112 redistribute (359.58803s) stopped
T01 >> 1462344715.21455002 libvdwxc nonlocal (2087.80526s) started
T01 << 1462344721.91582298 libvdwxc nonlocal (2094.50653s) stopped
T01 >> 1462344721.91589808 redistribute (359.58807s) started
T01 << 1462344722.57965302 redistribute (360.25183s) stopped
T01 << 1462344722.58069491 van der Waals (3205.44136s) stopped
T01 << 1462344722.75172997 XC 3D grid (3321.61966s) stopped
T01 >> 1462344722.75177908 Poisson (693.83929s) started
T01 << 1462344723.95198011 Poisson (695.03949s) stopped
T01 >> 1462344723.95206904 Hartree integrate/restrict (26.14003s) started
T01 << 1462344723.97103190 Hartree integrate/restrict (26.15899s) stopped
T01 >> 1462344723.97113490 Hartree integrate/restrict (26.15906s) started
T01 << 1462344724.03263211 Hartree integrate/restrict (26.22056s) stopped
T01 >> 1462344724.05483198 Atomic (2036.30840s) started
T01 >> 1462344724.06539893 XC Correction (2032.16681s) started
T01 << 1462344730.57780290 XC Correction (2038.67921s) stopped
T01 << 1462344730.58094501 Atomic (2042.83452s) stopped
T01 >> 1462344730.58109403 Communicate (1549.01383s) started
T01 << 1462344734.98211694 Communicate (1553.41486s) stopped
T01 << 1462344734.98214412 Hamiltonian (7650.43727s) stopped
T01 >> 1462344734.98223400 LCAO eigensolver (2737.07474s) started
T01 >> 1462344734.98224807 Potential matrix (87.31401s) started
T01 << 1462344735.24332595 Potential matrix (87.57509s) stopped
T01 >> 1462344735.24339890 DistributedAtomicCorrection (453.12098s) started
T01 << 1462344736.58022189 DistributedAtomicCorrection (454.45780s) stopped
T01 >> 1462344736.58028507 Distribute overlap matrix (395.04869s) started
T01 >> 1462344736.58030701 blocked summation (374.63273s) started
T01 << 1462344737.64633203 blocked summation (375.69876s) stopped
T01 >> 1462344737.64820910 Scalapack redistribute (19.92056s) started
T01 << 1462344737.70671892 Scalapack redistribute (19.97907s) stopped
T01 << 1462344737.70679688 Distribute overlap matrix (396.17521s) stopped
T01 >> 1462344737.70736289 Blacs Orbital Layouts (938.18257s) started
T01 >> 1462344737.70862198 General diagonalize (919.58554s) started
T01 << 1462344740.39461088 General diagonalize (922.27153s) stopped
T01 >> 1462344740.39467692 Redistribute coefs (0.98051s) started
T01 << 1462344740.39818692 Redistribute coefs (0.98402s) stopped
T01 >> 1462344740.39823294 Send coefs to domains (17.10634s) started
T01 << 1462344740.44736099 Send coefs to domains (17.15547s) stopped
T01 << 1462344740.44768500 Blacs Orbital Layouts (940.92289s) stopped
T01 >> 1462344740.44774604 Calculate projections (863.12368s) started
T01 << 1462344742.97137904 Calculate projections (865.64731s) stopped
T01 << 1462344742.97165108 LCAO eigensolver (2745.06416s) stopped
T01 >> 1462344742.97255707 Density (673.94431s) started
T01 >> 1462344742.97256899 Pseudo density (557.14798s) started
T01 >> 1462344742.97302103 Calculate density matrix (501.15235s) started
T01 << 1462344744.50368190 Calculate density matrix (502.68301s) stopped
T01 >> 1462344744.50376511 Construct density (55.22092s) started
T01 << 1462344744.67759204 Construct density (55.39474s) stopped
T01 >> 1462344744.67920899 Symmetrize density (0.01394s) started
T01 << 1462344744.67924190 Symmetrize density (0.01397s) stopped
T01 << 1462344744.67969489 Pseudo density (558.85510s) stopped
T01 >> 1462344744.67971492 Atomic density matrices (77.25470s) started
T01 << 1462344744.91950607 Atomic density matrices (77.49449s) stopped
T01 >> 1462344744.91954589 Multipole moments (1.24964s) started
T01 << 1462344744.92341208 Multipole moments (1.25351s) stopped
T01 >> 1462344744.92343402 Normalize (0.33921s) started
T01 << 1462344744.92448497 Normalize (0.34026s) stopped
T01 >> 1462344744.92452097 Mix (37.93169s) started
T01 << 1462344745.04303598 Mix (38.05021s) stopped
T01 << 1462344745.04313302 Density (676.01488s) stopped
T01 >> 1462344745.04321790 Hamiltonian (7650.43728s) started
T01 >> 1462344745.04323697 vbar (4.26230s) started
T01 << 1462344745.06025696 vbar (4.27932s) stopped
T01 >> 1462344745.06037307 XC 3D grid (3321.61970s) started
T01 >> 1462344745.24071002 van der Waals (3205.44141s) started
T01 >> 1462344745.28561211 semilocal (726.31432s) started
T01 << 1462344747.50476289 semilocal (728.53347s) stopped
T01 >> 1462344747.53691101 redistribute (360.25189s) started
T01 << 1462344747.91535902 redistribute (360.63034s) stopped
T01 >> 1462344747.91542792 libvdwxc nonlocal (2094.50658s) started
T01 << 1462344754.59774995 libvdwxc nonlocal (2101.18890s) stopped
T01 >> 1462344754.59782100 redistribute (360.63037s) started
T01 << 1462344755.25361395 redistribute (361.28617s) stopped
T01 << 1462344755.25475311 van der Waals (3215.45545s) stopped
T01 << 1462344755.43353391 XC 3D grid (3331.99286s) stopped
T01 >> 1462344755.43358397 Poisson (695.03956s) started
T01 << 1462344756.63571811 Poisson (696.24169s) stopped
T01 >> 1462344756.63578892 Hartree integrate/restrict (26.22060s) started
T01 << 1462344756.65463710 Hartree integrate/restrict (26.23945s) stopped
T01 >> 1462344756.65470099 Hartree integrate/restrict (26.23949s) started
T01 << 1462344756.72330999 Hartree integrate/restrict (26.30810s) stopped
T01 >> 1462344756.73611903 Atomic (2042.83453s) started
T01 >> 1462344756.74663305 XC Correction (2038.67924s) started
T01 << 1462344763.17716002 XC Correction (2045.10977s) stopped
T01 << 1462344763.18030095 Atomic (2049.27872s) stopped
T01 >> 1462344763.18045306 Communicate (1553.41487s) started
T01 << 1462344767.63012409 Communicate (1557.86454s) stopped
T01 << 1462344767.63015199 Hamiltonian (7673.02422s) stopped
T01 >> 1462344767.63024306 LCAO eigensolver (2745.06418s) started
T01 >> 1462344767.63025689 Potential matrix (87.57513s) started
T01 << 1462344767.88798308 Potential matrix (87.83286s) stopped
T01 >> 1462344767.88805604 DistributedAtomicCorrection (454.45784s) started
T01 << 1462344769.22282290 DistributedAtomicCorrection (455.79260s) stopped
T01 >> 1462344769.22288609 Distribute overlap matrix (396.17522s) started
T01 >> 1462344769.22290897 blocked summation (375.69880s) started
T01 << 1462344770.24308491 blocked summation (376.71897s) stopped
T01 >> 1462344770.24540496 Scalapack redistribute (19.97911s) started
T01 << 1462344770.30304694 Scalapack redistribute (20.03675s) stopped
T01 << 1462344770.30312300 Distribute overlap matrix (397.25545s) stopped
T01 >> 1462344770.30370092 Blacs Orbital Layouts (940.92290s) started
T01 >> 1462344770.30493498 General diagonalize (922.27157s) started
T01 << 1462344773.01703811 General diagonalize (924.98367s) stopped
T01 >> 1462344773.01710200 Redistribute coefs (0.98406s) started
T01 << 1462344773.02010989 Redistribute coefs (0.98707s) stopped
T01 >> 1462344773.02015805 Send coefs to domains (17.15551s) started
T01 << 1462344773.07074308 Send coefs to domains (17.20610s) stopped
T01 << 1462344773.07102609 Blacs Orbital Layouts (943.69023s) stopped
T01 >> 1462344773.07107806 Calculate projections (865.64736s) started
T01 << 1462344775.59464908 Calculate projections (868.17094s) stopped
T01 << 1462344775.59508300 LCAO eigensolver (2753.02902s) stopped
T01 >> 1462344775.59580898 Density (676.01490s) started
T01 >> 1462344775.59582210 Pseudo density (558.85512s) started
T01 >> 1462344775.59627604 Calculate density matrix (502.68305s) started
T01 << 1462344777.13714910 Calculate density matrix (504.22393s) stopped
T01 >> 1462344777.13722801 Construct density (55.39478s) started
T01 << 1462344777.31075907 Construct density (55.56831s) stopped
T01 >> 1462344777.31226707 Symmetrize density (0.01398s) started
T01 << 1462344777.31229901 Symmetrize density (0.01401s) stopped
T01 << 1462344777.31275511 Pseudo density (560.57205s) stopped
T01 >> 1462344777.31277394 Atomic density matrices (77.49452s) started
T01 << 1462344777.55286694 Atomic density matrices (77.73461s) stopped
T01 >> 1462344777.55293989 Multipole moments (1.25352s) started
T01 << 1462344777.55673695 Multipole moments (1.25732s) stopped
T01 >> 1462344777.55676007 Normalize (0.34029s) started
T01 << 1462344777.55782700 Normalize (0.34136s) stopped
T01 >> 1462344777.55786300 Mix (38.05030s) started
T01 << 1462344777.67756009 Mix (38.17000s) stopped
T01 << 1462344777.67764592 Density (678.09674s) stopped
T01 >> 1462344777.67771792 Hamiltonian (7673.02423s) started
T01 >> 1462344777.67773700 vbar (4.27939s) started
T01 << 1462344777.69455290 vbar (4.29620s) stopped
T01 >> 1462344777.69465208 XC 3D grid (3331.99289s) started
T01 >> 1462344777.86594105 van der Waals (3215.45550s) started
T01 >> 1462344777.91123891 semilocal (728.53355s) started
T01 << 1462344780.13642502 semilocal (730.75873s) stopped
T01 >> 1462344780.17010093 redistribute (361.28621s) started
T01 << 1462344780.56528997 redistribute (361.68140s) stopped
T01 >> 1462344780.56536007 libvdwxc nonlocal (2101.18895s) started
T01 << 1462344787.24352098 libvdwxc nonlocal (2107.86711s) stopped
T01 >> 1462344787.24359798 redistribute (361.68144s) started
T01 << 1462344787.89579606 redistribute (362.33364s) stopped
T01 << 1462344787.89700890 van der Waals (3225.48656s) stopped
T01 << 1462344788.07747412 XC 3D grid (3342.37572s) stopped
T01 >> 1462344788.07752395 Poisson (696.24174s) started
T01 << 1462344789.27650499 Poisson (697.44073s) stopped
T01 >> 1462344789.27660108 Hartree integrate/restrict (26.30814s) started
T01 << 1462344789.29525805 Hartree integrate/restrict (26.32679s) stopped
T01 >> 1462344789.29541492 Hartree integrate/restrict (26.32690s) started
T01 << 1462344789.35753798 Hartree integrate/restrict (26.38902s) stopped
T01 >> 1462344789.37754107 Atomic (2049.27873s) started
T01 >> 1462344789.38799906 XC Correction (2045.10979s) started
T01 << 1462344795.81968188 XC Correction (2051.54147s) stopped
T01 << 1462344795.82278800 Atomic (2055.72398s) stopped
T01 >> 1462344795.82293606 Communicate (1557.86456s) started
T01 << 1462344800.34810305 Communicate (1562.38973s) stopped
T01 << 1462344800.34813094 Hamiltonian (7695.69464s) stopped
T01 >> 1462344800.34822607 LCAO eigensolver (2753.02904s) started
T01 >> 1462344800.34823990 Potential matrix (87.83290s) started
T01 << 1462344800.60685492 Potential matrix (88.09151s) stopped
T01 >> 1462344800.60692811 DistributedAtomicCorrection (455.79264s) started
T01 << 1462344801.93829107 DistributedAtomicCorrection (457.12401s) stopped
T01 >> 1462344801.93835306 Distribute overlap matrix (397.25547s) started
T01 >> 1462344801.93837595 blocked summation (376.71901s) started
T01 << 1462344802.99195099 blocked summation (377.77258s) stopped
T01 >> 1462344802.99376202 Scalapack redistribute (20.03679s) started
T01 << 1462344803.05402708 Scalapack redistribute (20.09705s) stopped
T01 << 1462344803.05410194 Distribute overlap matrix (398.37121s) stopped
T01 >> 1462344803.05467296 Blacs Orbital Layouts (943.69025s) started
T01 >> 1462344803.05593991 General diagonalize (924.98371s) started
T01 << 1462344805.75836897 General diagonalize (927.68614s) stopped
T01 >> 1462344805.75843191 Redistribute coefs (0.98710s) started
T01 << 1462344805.76188302 Redistribute coefs (0.99055s) stopped
T01 >> 1462344805.76192999 Send coefs to domains (17.20614s) started
T01 << 1462344805.81215000 Send coefs to domains (17.25636s) stopped
T01 << 1462344805.81251001 Blacs Orbital Layouts (946.44808s) stopped
T01 >> 1462344805.81256390 Calculate projections (868.17099s) started
T01 << 1462344808.33604002 Calculate projections (870.69447s) stopped
T01 << 1462344808.33631611 LCAO eigensolver (2761.01713s) stopped
T01 << 1462344808.33705211 SCF-cycle (11135.08860s) stopped
T01 >> 1462344809.18120193 Force calculation (469.78981s) started
T01 >> 1462344809.18126106 LCAO forces (299.85686s) started
T01 >> 1462344809.18161297 Initial (0.00035s) started
T01 << 1462344809.18162489 Initial (0.00037s) stopped
T01 >> 1462344809.18585801 Get density matrix (58.04607s) started
T01 << 1462344809.78128695 Get density matrix (58.64150s) stopped
T01 >> 1462344809.78135490 Potential (21.55878s) started
T01 << 1462344811.16040802 Potential (22.93783s) stopped
T01 >> 1462344811.16047192 Get density matrix (58.64154s) started
T01 << 1462344814.33420396 Get density matrix (61.81527s) stopped
T01 >> 1462344814.33432198 Prepare TCI loop (30.14279s) started
T01 >> 1462344814.33477807 Get neighbors (26.46652s) started
T01 << 1462344816.16408706 Get neighbors (28.29583s) stopped
T01 >> 1462344816.16431499 broadcast dH (3.66548s) started
T01 << 1462344816.29218888 broadcast dH (3.79335s) stopped
T01 << 1462344816.29223394 Prepare TCI loop (32.10071s) stopped
T01 >> 1462344816.29225206 Not so complicated loop (42.10174s) started
T01 << 1462344819.00661111 Not so complicated loop (44.81610s) stopped
T01 >> 1462344819.12939000 Complicated loop (145.98865s) started
T01 << 1462344828.71088004 Complicated loop (155.57014s) stopped
T01 >> 1462344828.73100400 Wait for sum (0.00086s) started
T01 << 1462344828.73105192 Wait for sum (0.00091s) stopped
T01 << 1462344828.73106503 LCAO forces (319.40667s) stopped
T01 << 1462344840.47574806 Force calculation (501.08436s) stopped
T01 >> 1462344840.49366593 Initialization (846.10374s) started
T01 << 1462344840.49385595 Initialization (846.10393s) stopped
T01 >> 1462344840.49410009 Initialization (846.10395s) started
T01 << 1462344840.49423099 Initialization (846.10408s) stopped
T01 >> 1462344840.49436307 Initialization (846.10409s) started
T01 << 1462344840.49449396 Initialization (846.10422s) stopped
T01 >> 1462344860.81715393 Initialization (846.10424s) started
T01 >> 1462344860.90210605 Basic WFS set positions (1.62436s) started
T01 >> 1462344860.90213299 Redistribute (0.03721s) started
T01 << 1462344860.90227389 Redistribute (0.03735s) stopped
T01 << 1462344860.99642992 Basic WFS set positions (1.71868s) stopped
T01 >> 1462344860.99646091 Basis functions set positions (7.13704s) started
T01 << 1462344861.40386891 Basis functions set positions (7.54445s) stopped
T01 >> 1462344861.40522599 TCI: Calculate S, T, P (251.26035s) started
T01 << 1462344876.53822803 TCI: Calculate S, T, P (266.39336s) stopped
T01 >> 1462344876.53830409 blocked summation (68.42988s) started
T01 << 1462344880.09495807 blocked summation (71.98654s) stopped
T01 >> 1462344880.09674096 Scalapack redistribute (3.62652s) started
T01 << 1462344880.15674901 Scalapack redistribute (3.68653s) stopped
T01 >> 1462344880.15714598 blocked summation (71.98658s) started
T01 << 1462344880.32943702 blocked summation (72.15887s) stopped
T01 >> 1462344880.33117890 Scalapack redistribute (3.68659s) started
T01 << 1462344880.52942610 Scalapack redistribute (3.88484s) stopped
T01 >> 1462344880.53083110 Redistribute (0.03209s) started
T01 << 1462344880.53182697 Redistribute (0.03308s) stopped
T01 >> 1462344881.42642307 Redistribute (0.03310s) started
T01 << 1462344881.42744994 Redistribute (0.03412s) stopped
T01 >> 1462344881.43816209 LCAO WFS Initialize (495.28651s) started
T01 >> 1462344881.43819094 Density initialize from wavefunctions (19.27254s) started
T01 >> 1462344881.43859410 Calculate density matrix (11.22944s) started
T01 << 1462344882.14046311 Calculate density matrix (11.93131s) stopped
T01 >> 1462344882.14052701 Construct density (2.72011s) started
T01 << 1462344882.31494808 Construct density (2.89453s) stopped
T01 >> 1462344882.31658506 Symmetrize density (0.00067s) started
T01 << 1462344882.31661701 Symmetrize density (0.00070s) stopped
T01 << 1462344882.65288997 Density initialize from wavefunctions (20.48724s) stopped
T01 >> 1462344882.65353894 Hamiltonian (475.80958s) started
T01 >> 1462344882.65357590 vbar (0.22731s) started
T01 << 1462344882.66948390 vbar (0.24322s) stopped
T01 >> 1462344882.66959095 XC 3D grid (173.26932s) started
T01 >> 1462344882.84639192 van der Waals (167.22247s) started
T01 >> 1462344882.89111996 semilocal (37.78045s) started
T01 << 1462344885.09683394 semilocal (39.98617s) stopped
T01 >> 1462344885.12839890 redistribute (18.75097s) started
T01 << 1462344885.51785207 redistribute (19.14042s) stopped
T01 >> 1462344885.51790190 libvdwxc nonlocal (109.42849s) started
T01 << 1462344892.23848391 libvdwxc nonlocal (116.14907s) stopped
T01 >> 1462344892.23853707 redistribute (19.14046s) started
T01 << 1462344892.87599397 redistribute (19.77791s) stopped
T01 << 1462344892.87720799 van der Waals (177.25329s) stopped
T01 << 1462344893.05917811 XC 3D grid (183.65890s) stopped
T01 >> 1462344893.05922508 Poisson (81.39885s) started
T01 << 1462344897.73357201 Poisson (86.07320s) stopped
T01 >> 1462344897.73365688 Hartree integrate/restrict (1.35737s) started
T01 << 1462344897.75273108 Hartree integrate/restrict (1.37645s) stopped
T01 >> 1462344897.75280595 Hartree integrate/restrict (1.37650s) started
T01 << 1462344897.81420302 Hartree integrate/restrict (1.43790s) stopped
T01 >> 1462344897.83099294 Atomic (112.34920s) started
T01 >> 1462344897.84166598 XC Correction (112.12933s) started
T01 << 1462344904.58512592 XC Correction (118.87279s) stopped
T01 << 1462344904.58828497 Atomic (119.10649s) stopped
T01 >> 1462344904.58854699 Communicate (106.82343s) started
T01 << 1462344910.72346592 Communicate (112.95835s) stopped
T01 << 1462344910.72349405 Hamiltonian (503.87954s) stopped
T01 << 1462344910.72354889 LCAO WFS Initialize (524.57189s) stopped
T01 << 1462344910.73592091 Initialization (896.02301s) stopped
T01 >> 1462344910.76126099 SCF-cycle (11135.08861s) started
T01 >> 1462344910.76130104 LCAO eigensolver (2761.01715s) started
T01 >> 1462344910.76131392 Potential matrix (88.09155s) started
T01 << 1462344911.01937890 Potential matrix (88.34962s) stopped
T01 >> 1462344911.01945496 DistributedAtomicCorrection (457.12404s) started
T01 << 1462344912.34844899 DistributedAtomicCorrection (458.45304s) stopped
T01 >> 1462344912.34851193 Distribute overlap matrix (398.37123s) started
T01 >> 1462344912.34853411 blocked summation (377.77262s) started
T01 << 1462344913.43277097 blocked summation (378.85686s) stopped
T01 >> 1462344913.43427992 Scalapack redistribute (20.09708s) started
T01 << 1462344913.49366808 Scalapack redistribute (20.15647s) stopped
T01 << 1462344913.49374890 Distribute overlap matrix (399.51646s) stopped
T01 >> 1462344913.49430990 Blacs Orbital Layouts (946.44810s) started
T01 >> 1462344913.49518490 General diagonalize (927.68618s) started
T01 << 1462344916.20742011 General diagonalize (930.39841s) stopped
T01 >> 1462344916.20746994 Redistribute coefs (0.99059s) started
T01 << 1462344916.21020198 Redistribute coefs (0.99332s) stopped
T01 >> 1462344916.21024609 Send coefs to domains (17.25640s) started
T01 << 1462344916.26076889 Send coefs to domains (17.30692s) stopped
T01 << 1462344916.26082897 Blacs Orbital Layouts (949.21462s) stopped
T01 >> 1462344916.26085401 Calculate projections (870.69452s) started
T01 << 1462344918.78449607 Calculate projections (873.21816s) stopped
T01 << 1462344918.78457308 LCAO eigensolver (2769.04042s) stopped
T01 >> 1462344918.78523207 Density (678.09676s) started
T01 >> 1462344918.78524494 Pseudo density (560.57207s) started
T01 >> 1462344918.78564310 Calculate density matrix (504.22397s) started
T01 << 1462344920.32104397 Calculate density matrix (505.75937s) stopped
T01 >> 1462344920.32111502 Construct density (55.56835s) started
T01 << 1462344920.49537802 Construct density (55.74261s) stopped
T01 >> 1462344920.49682403 Symmetrize density (0.01403s) started
T01 << 1462344920.49685907 Symmetrize density (0.01406s) stopped
T01 << 1462344920.49730110 Pseudo density (562.28412s) stopped
T01 >> 1462344920.49731994 Atomic density matrices (77.73467s) started
T01 << 1462344920.73593402 Atomic density matrices (77.97328s) stopped
T01 >> 1462344920.73597407 Multipole moments (1.25734s) started
T01 << 1462344920.73979211 Multipole moments (1.26116s) stopped
T01 >> 1462344920.73981404 Normalize (0.34138s) started
T01 << 1462344920.74087191 Normalize (0.34244s) stopped
T01 >> 1462344920.74090695 Mix (38.17008s) started
T01 << 1462344920.84478807 Mix (38.27396s) stopped
T01 << 1462344920.84486508 Density (680.15639s) stopped
T01 >> 1462344920.84494305 Hamiltonian (7695.69465s) started
T01 >> 1462344920.84495997 vbar (4.29626s) started
T01 << 1462344920.86201000 vbar (4.31331s) stopped
T01 >> 1462344920.86211705 XC 3D grid (3342.37576s) started
T01 >> 1462344921.04294395 van der Waals (3225.48661s) started
T01 >> 1462344921.08711100 semilocal (730.75881s) started
T01 << 1462344923.30892301 semilocal (732.98063s) stopped
T01 >> 1462344923.34084392 redistribute (362.33368s) started
T01 << 1462344923.71570992 redistribute (362.70855s) stopped
T01 >> 1462344923.71577501 libvdwxc nonlocal (2107.86716s) started
T01 << 1462344930.42194796 libvdwxc nonlocal (2114.57333s) stopped
T01 >> 1462344930.42201710 redistribute (362.70859s) started
T01 << 1462344931.06862998 redistribute (363.35520s) stopped
T01 << 1462344931.06981111 van der Waals (3235.51347s) stopped
T01 << 1462344931.24988699 XC 3D grid (3352.76353s) stopped
T01 >> 1462344931.24994707 Poisson (697.44080s) started
T01 << 1462344933.61052608 Poisson (699.80138s) stopped
T01 >> 1462344933.61064291 Hartree integrate/restrict (26.38906s) started
T01 << 1462344933.62941909 Hartree integrate/restrict (26.40784s) stopped
T01 >> 1462344933.62952209 Hartree integrate/restrict (26.40791s) started
T01 << 1462344933.69160509 Hartree integrate/restrict (26.46999s) stopped
T01 >> 1462344933.71374893 Atomic (2055.72400s) started
T01 >> 1462344933.72410488 XC Correction (2051.54150s) started
T01 << 1462344940.47071695 XC Correction (2058.28811s) stopped
T01 << 1462344940.47381997 Atomic (2062.48407s) stopped
T01 >> 1462344940.47397089 Communicate (1562.38975s) started
T01 << 1462344946.52828789 Communicate (1568.44407s) stopped
T01 << 1462344946.52831602 Hamiltonian (7721.37803s) stopped
T01 >> 1462344946.52840900 LCAO eigensolver (2769.04043s) started
T01 >> 1462344946.52842307 Potential matrix (88.34966s) started
T01 << 1462344946.78901792 Potential matrix (88.61025s) stopped
T01 >> 1462344946.78909612 DistributedAtomicCorrection (458.45308s) started
T01 << 1462344948.10940790 DistributedAtomicCorrection (459.77339s) stopped
T01 >> 1462344948.10946989 Distribute overlap matrix (399.51648s) started
T01 >> 1462344948.10949206 blocked summation (378.85690s) started
T01 << 1462344949.20098209 blocked summation (379.94839s) stopped
T01 >> 1462344949.20249510 Scalapack redistribute (20.15651s) started
T01 << 1462344949.26223898 Scalapack redistribute (20.21625s) stopped
T01 << 1462344949.26231503 Distribute overlap matrix (400.66932s) stopped
T01 >> 1462344949.26287794 Blacs Orbital Layouts (949.21463s) started
T01 >> 1462344949.26375008 General diagonalize (930.39845s) started
T01 << 1462344951.99497890 General diagonalize (933.12968s) stopped
T01 >> 1462344951.99504304 Redistribute coefs (0.99336s) started
T01 << 1462344951.99773502 Redistribute coefs (0.99605s) stopped
T01 >> 1462344951.99781203 Send coefs to domains (17.30697s) started
T01 << 1462344952.04794192 Send coefs to domains (17.35710s) stopped
T01 << 1462344952.04799700 Blacs Orbital Layouts (951.99975s) stopped
T01 >> 1462344952.04804397 Calculate projections (873.21822s) started
T01 << 1462344954.57173491 Calculate projections (875.74191s) stopped
T01 << 1462344954.57181692 LCAO eigensolver (2777.08384s) stopped
T01 >> 1462344954.57248902 Density (680.15641s) started
T01 >> 1462344954.57250094 Pseudo density (562.28414s) started
T01 >> 1462344954.57291198 Calculate density matrix (505.75941s) started
T01 << 1462344956.10404396 Calculate density matrix (507.29055s) stopped
T01 >> 1462344956.10411310 Construct density (55.74265s) started
T01 << 1462344956.27829003 Construct density (55.91682s) stopped
T01 >> 1462344956.27974510 Symmetrize density (0.01407s) started
T01 << 1462344956.27977991 Symmetrize density (0.01411s) stopped
T01 << 1462344956.28022194 Pseudo density (563.99186s) stopped
T01 >> 1462344956.28024197 Atomic density matrices (77.97331s) started
T01 << 1462344956.51810193 Atomic density matrices (78.21117s) stopped
T01 >> 1462344956.51814294 Multipole moments (1.26117s) started
T01 << 1462344956.52195811 Multipole moments (1.26498s) stopped
T01 >> 1462344956.52198195 Normalize (0.34246s) started
T01 << 1462344956.52305102 Normalize (0.34353s) stopped
T01 >> 1462344956.52312493 Mix (38.27404s) started
T01 << 1462344956.63153791 Mix (38.38245s) stopped
T01 << 1462344956.63164496 Density (682.21556s) stopped
T01 >> 1462344956.63173699 Hamiltonian (7721.37804s) started
T01 >> 1462344956.63175607 vbar (4.31337s) started
T01 << 1462344956.64808202 vbar (4.32970s) stopped
T01 >> 1462344956.64816809 XC 3D grid (3352.76357s) started
T01 >> 1462344956.82455301 van der Waals (3235.51352s) started
T01 >> 1462344956.86907101 semilocal (732.98071s) started
T01 << 1462344959.11196494 semilocal (735.22361s) stopped
T01 >> 1462344959.14264703 redistribute (363.35526s) started
T01 << 1462344959.51426697 redistribute (363.72688s) stopped
T01 >> 1462344959.51433301 libvdwxc nonlocal (2114.57338s) started
T01 << 1462344966.22039509 libvdwxc nonlocal (2121.27944s) stopped
T01 >> 1462344966.22046590 redistribute (363.72691s) started
T01 << 1462344966.86719894 redistribute (364.37365s) stopped
T01 << 1462344966.86816406 van der Waals (3245.55713s) stopped
T01 << 1462344967.04961896 XC 3D grid (3363.16502s) stopped
T01 >> 1462344967.04967499 Poisson (699.80147s) started
T01 << 1462344969.40862989 Poisson (702.16043s) stopped
T01 >> 1462344969.40872502 Hartree integrate/restrict (26.47003s) started
T01 << 1462344969.42773509 Hartree integrate/restrict (26.48904s) stopped
T01 >> 1462344969.42784190 Hartree integrate/restrict (26.48911s) started
T01 << 1462344969.48999596 Hartree integrate/restrict (26.55127s) stopped
T01 >> 1462344969.50990510 Atomic (2062.48409s) started
T01 >> 1462344969.52023292 XC Correction (2058.28813s) started
T01 << 1462344975.95926595 XC Correction (2064.72717s) stopped
T01 << 1462344975.96238995 Atomic (2068.93657s) stopped
T01 >> 1462344975.96253896 Communicate (1568.44409s) started
T01 << 1462344981.38614511 Communicate (1573.86769s) stopped
T01 << 1462344981.38617206 Hamiltonian (7746.13248s) stopped
T01 >> 1462344981.38626695 LCAO eigensolver (2777.08386s) started
T01 >> 1462344981.38628006 Potential matrix (88.61030s) started
T01 << 1462344981.64453006 Potential matrix (88.86855s) stopped
T01 >> 1462344981.64460397 DistributedAtomicCorrection (459.77342s) started
T01 << 1462344982.96660805 DistributedAtomicCorrection (461.09543s) stopped
T01 >> 1462344982.96667504 Distribute overlap matrix (400.66933s) started
T01 >> 1462344982.96669793 blocked summation (379.94843s) started
T01 << 1462344984.08158588 blocked summation (381.06332s) stopped
T01 >> 1462344984.08307195 Scalapack redistribute (20.21628s) started
T01 << 1462344984.14226794 Scalapack redistribute (20.27548s) stopped
T01 << 1462344984.14234495 Distribute overlap matrix (401.84500s) stopped
T01 >> 1462344984.14291596 Blacs Orbital Layouts (951.99976s) started
T01 >> 1462344984.14379191 General diagonalize (933.12972s) started
T01 << 1462344986.85351610 General diagonalize (935.83944s) stopped
T01 >> 1462344986.85358000 Redistribute coefs (0.99608s) started
T01 << 1462344986.85634494 Redistribute coefs (0.99885s) stopped
T01 >> 1462344986.85642409 Send coefs to domains (17.35714s) started
T01 << 1462344986.90751004 Send coefs to domains (17.40823s) stopped
T01 << 1462344986.90756392 Blacs Orbital Layouts (954.76441s) stopped
T01 >> 1462344986.90760589 Calculate projections (875.74196s) started
T01 << 1462344989.43126702 Calculate projections (878.26562s) stopped
T01 << 1462344989.43134689 LCAO eigensolver (2785.12894s) stopped
T01 >> 1462344989.43207908 Density (682.21558s) started
T01 >> 1462344989.43209195 Pseudo density (563.99187s) started
T01 >> 1462344989.43249106 Calculate density matrix (507.29059s) started
T01 << 1462344990.96393704 Calculate density matrix (508.82203s) stopped
T01 >> 1462344990.96402001 Construct density (55.91686s) started
T01 << 1462344991.13836598 Construct density (56.09120s) stopped
T01 >> 1462344991.13981295 Symmetrize density (0.01412s) started
T01 << 1462344991.13984489 Symmetrize density (0.01415s) stopped
T01 << 1462344991.14028096 Pseudo density (565.70006s) stopped
T01 >> 1462344991.14030099 Atomic density matrices (78.21120s) started
T01 << 1462344991.37904906 Atomic density matrices (78.44995s) stopped
T01 >> 1462344991.37908912 Multipole moments (1.26500s) started
T01 << 1462344991.38288307 Multipole moments (1.26879s) stopped
T01 >> 1462344991.38290691 Normalize (0.34360s) started
T01 << 1462344991.38395810 Normalize (0.34465s) stopped
T01 >> 1462344991.38399196 Mix (38.38255s) started
T01 << 1462344991.49739504 Mix (38.49595s) stopped
T01 << 1462344991.49744105 Density (684.28095s) stopped
T01 >> 1462344991.49751210 Hamiltonian (7746.13249s) started
T01 >> 1462344991.49753308 vbar (4.32975s) started
T01 << 1462344991.51393008 vbar (4.34614s) stopped
T01 >> 1462344991.51398993 XC 3D grid (3363.16506s) started
T01 >> 1462344991.68469691 van der Waals (3245.55718s) started
T01 >> 1462344991.73030210 semilocal (735.22366s) started
T01 << 1462344993.94998407 semilocal (737.44335s) stopped
T01 >> 1462344993.98237705 redistribute (364.37369s) started
T01 << 1462344994.37007809 redistribute (364.76139s) stopped
T01 >> 1462344994.37014294 libvdwxc nonlocal (2121.27949s) started
T01 << 1462345001.06365609 libvdwxc nonlocal (2127.97300s) stopped
T01 >> 1462345001.06373596 redistribute (364.76143s) started
T01 << 1462345001.71323800 redistribute (365.41093s) stopped
T01 << 1462345001.71432900 van der Waals (3255.58681s) stopped
T01 << 1462345001.89766908 XC 3D grid (3373.54874s) stopped
T01 >> 1462345001.89771891 Poisson (702.16050s) started
T01 << 1462345004.25541806 Poisson (704.51820s) stopped
T01 >> 1462345004.25549412 Hartree integrate/restrict (26.55130s) started
T01 << 1462345004.27433610 Hartree integrate/restrict (26.57014s) stopped
T01 >> 1462345004.27441406 Hartree integrate/restrict (26.57019s) started
T01 << 1462345004.33599210 Hartree integrate/restrict (26.63177s) stopped
T01 >> 1462345004.35377598 Atomic (2068.93659s) started
T01 >> 1462345004.36419702 XC Correction (2064.72719s) started
T01 << 1462345010.55089092 XC Correction (2070.91389s) stopped
T01 << 1462345010.55406404 Atomic (2075.13688s) stopped
T01 >> 1462345010.55421400 Communicate (1573.86771s) started
T01 << 1462345015.73654795 Communicate (1579.05004s) stopped
T01 << 1462345015.73657489 Hamiltonian (7770.37155s) stopped
T01 >> 1462345015.73667312 LCAO eigensolver (2785.12895s) started
T01 >> 1462345015.73668790 Potential matrix (88.86859s) started
T01 << 1462345015.99510908 Potential matrix (89.12701s) stopped
T01 >> 1462345015.99518394 DistributedAtomicCorrection (461.09547s) started
T01 << 1462345017.31189203 DistributedAtomicCorrection (462.41218s) stopped
T01 >> 1462345017.31195593 Distribute overlap matrix (401.84502s) started
T01 >> 1462345017.31197810 blocked summation (381.06336s) started
T01 << 1462345018.42203903 blocked summation (382.17342s) stopped
T01 >> 1462345018.42352390 Scalapack redistribute (20.27551s) started
T01 << 1462345018.48287201 Scalapack redistribute (20.33486s) stopped
T01 << 1462345018.48294997 Distribute overlap matrix (403.01601s) stopped
T01 >> 1462345018.48350906 Blacs Orbital Layouts (954.76442s) started
T01 >> 1462345018.48460889 General diagonalize (935.83948s) started
T01 << 1462345021.19945407 General diagonalize (938.55433s) stopped
T01 >> 1462345021.19950604 Redistribute coefs (0.99888s) started
T01 << 1462345021.20220089 Redistribute coefs (1.00158s) stopped
T01 >> 1462345021.20224595 Send coefs to domains (17.40827s) started
T01 << 1462345021.25275612 Send coefs to domains (17.45878s) stopped
T01 << 1462345021.25281096 Blacs Orbital Layouts (957.53372s) stopped
T01 >> 1462345021.25285792 Calculate projections (878.26567s) started
T01 << 1462345023.77659988 Calculate projections (880.78942s) stopped
T01 << 1462345023.77668405 LCAO eigensolver (2793.16896s) stopped
T01 >> 1462345023.77743506 Density (684.28096s) started
T01 >> 1462345023.77744794 Pseudo density (565.70007s) started
T01 >> 1462345023.77785707 Calculate density matrix (508.82208s) started
T01 << 1462345025.30308890 Calculate density matrix (510.34731s) stopped
T01 >> 1462345025.30317211 Construct density (56.09124s) started
T01 << 1462345025.47729611 Construct density (56.26536s) stopped
T01 >> 1462345025.47878098 Symmetrize density (0.01416s) started
T01 << 1462345025.47881293 Symmetrize density (0.01419s) stopped
T01 << 1462345025.47925496 Pseudo density (567.40188s) stopped
T01 >> 1462345025.47927403 Atomic density matrices (78.44998s) started
T01 << 1462345025.71797299 Atomic density matrices (78.68868s) stopped
T01 >> 1462345025.71801400 Multipole moments (1.26881s) started
T01 << 1462345025.72180700 Multipole moments (1.27260s) stopped
T01 >> 1462345025.72182894 Normalize (0.34467s) started
T01 << 1462345025.72287893 Normalize (0.34572s) stopped
T01 >> 1462345025.72291493 Mix (38.49600s) started
T01 << 1462345025.83684993 Mix (38.60993s) stopped
T01 << 1462345025.83693504 Density (686.34046s) stopped
T01 >> 1462345025.83701706 Hamiltonian (7770.37156s) started
T01 >> 1462345025.83703589 vbar (4.34618s) started
T01 << 1462345025.85435796 vbar (4.36350s) stopped
T01 >> 1462345025.85444307 XC 3D grid (3373.54878s) started
T01 >> 1462345026.03503203 van der Waals (3255.58689s) started
T01 >> 1462345026.07996202 semilocal (737.44344s) started
T01 << 1462345028.29378796 semilocal (739.65727s) stopped
T01 >> 1462345028.32587600 redistribute (365.41100s) started
T01 << 1462345028.71669793 redistribute (365.80182s) stopped
T01 >> 1462345028.71676207 libvdwxc nonlocal (2127.97306s) started
T01 << 1462345035.39960599 libvdwxc nonlocal (2134.65590s) stopped
T01 >> 1462345035.39970112 redistribute (365.80185s) started
T01 << 1462345036.04373002 redistribute (366.44588s) stopped
T01 << 1462345036.04470301 van der Waals (3265.59656s) stopped
T01 << 1462345036.22575402 XC 3D grid (3383.92009s) stopped
T01 >> 1462345036.22582889 Poisson (704.51825s) started
T01 << 1462345038.57977009 Poisson (706.87220s) stopped
T01 >> 1462345038.57990408 Hartree integrate/restrict (26.63182s) started
T01 << 1462345038.59842396 Hartree integrate/restrict (26.65034s) stopped
T01 >> 1462345038.59856105 Hartree integrate/restrict (26.65044s) started
T01 << 1462345038.66609406 Hartree integrate/restrict (26.71797s) stopped
T01 >> 1462345038.68305302 Atomic (2075.13689s) started
T01 >> 1462345038.69344497 XC Correction (2070.91391s) started
T01 << 1462345044.91419101 XC Correction (2077.13466s) stopped
T01 << 1462345044.91730094 Atomic (2081.37114s) stopped
T01 >> 1462345044.91745210 Communicate (1579.05006s) started
T01 << 1462345049.71461892 Communicate (1583.84723s) stopped
T01 << 1462345049.71464705 Hamiltonian (7794.24919s) stopped
T01 >> 1462345049.71475005 LCAO eigensolver (2793.16897s) started
T01 >> 1462345049.71476293 Potential matrix (89.12705s) started
T01 << 1462345049.97268701 Potential matrix (89.38497s) stopped
T01 >> 1462345049.97276306 DistributedAtomicCorrection (462.41221s) started
T01 << 1462345051.29308796 DistributedAtomicCorrection (463.73254s) stopped
T01 >> 1462345051.29315209 Distribute overlap matrix (403.01602s) started
T01 >> 1462345051.29317403 blocked summation (382.17346s) started
T01 << 1462345052.39495206 blocked summation (383.27524s) stopped
T01 >> 1462345052.39640093 Scalapack redistribute (20.33490s) started
T01 << 1462345052.45633698 Scalapack redistribute (20.39483s) stopped
T01 << 1462345052.45641303 Distribute overlap matrix (404.17928s) stopped
T01 >> 1462345052.45697808 Blacs Orbital Layouts (957.53373s) started
T01 >> 1462345052.45785999 General diagonalize (938.55436s) started
T01 << 1462345055.16613793 General diagonalize (941.26264s) stopped
T01 >> 1462345055.16620207 Redistribute coefs (1.00161s) started
T01 << 1462345055.17000198 Redistribute coefs (1.00541s) stopped
T01 >> 1462345055.17004991 Send coefs to domains (17.45883s) started
T01 << 1462345055.21994090 Send coefs to domains (17.50872s) stopped
T01 << 1462345055.21999311 Blacs Orbital Layouts (960.29675s) stopped
T01 >> 1462345055.22003603 Calculate projections (880.78947s) started
T01 << 1462345057.74383998 Calculate projections (883.31327s) stopped
T01 << 1462345057.74392104 LCAO eigensolver (2801.19815s) stopped
T01 >> 1462345057.74469304 Density (686.34047s) started
T01 >> 1462345057.74470592 Pseudo density (567.40189s) started
T01 >> 1462345057.74510598 Calculate density matrix (510.34735s) started
T01 << 1462345059.27849698 Calculate density matrix (511.88074s) stopped
T01 >> 1462345059.27856112 Construct density (56.26543s) started
T01 << 1462345059.45283508 Construct density (56.43970s) stopped
T01 >> 1462345059.45427990 Symmetrize density (0.01421s) started
T01 << 1462345059.45431399 Symmetrize density (0.01424s) stopped
T01 << 1462345059.45476198 Pseudo density (569.11195s) stopped
T01 >> 1462345059.45478106 Atomic density matrices (78.68870s) started
T01 << 1462345059.69289303 Atomic density matrices (78.92682s) stopped
T01 >> 1462345059.69293404 Multipole moments (1.27262s) started
T01 << 1462345059.69672203 Multipole moments (1.27641s) stopped
T01 >> 1462345059.69674492 Normalize (0.34575s) started
T01 << 1462345059.69779205 Normalize (0.34680s) stopped
T01 >> 1462345059.69782710 Mix (38.61001s) started
T01 << 1462345059.81682301 Mix (38.72901s) stopped
T01 << 1462345059.81687999 Density (688.41266s) stopped
T01 >> 1462345059.81695700 Hamiltonian (7794.24920s) started
T01 >> 1462345059.81697607 vbar (4.36355s) started
T01 << 1462345059.83340001 vbar (4.37997s) stopped
T01 >> 1462345059.83350611 XC 3D grid (3383.92015s) started
T01 >> 1462345060.01248288 van der Waals (3265.59660s) started
T01 >> 1462345060.05735707 semilocal (739.65737s) started
T01 << 1462345062.28421688 semilocal (741.88423s) stopped
T01 >> 1462345062.31580901 redistribute (366.44593s) started
T01 << 1462345062.68510699 redistribute (366.81523s) stopped
T01 >> 1462345062.68517303 libvdwxc nonlocal (2134.65595s) started
T01 << 1462345069.34794807 libvdwxc nonlocal (2141.31872s) stopped
T01 >> 1462345069.34802103 redistribute (366.81526s) started
T01 << 1462345070.00303888 redistribute (367.47028s) stopped
T01 << 1462345070.00403595 van der Waals (3275.58815s) stopped
T01 << 1462345070.18327808 XC 3D grid (3394.26992s) stopped
T01 >> 1462345070.18332410 Poisson (706.87230s) started
T01 << 1462345072.54911590 Poisson (709.23809s) stopped
T01 >> 1462345072.54920292 Hartree integrate/restrict (26.71801s) started
T01 << 1462345072.56791592 Hartree integrate/restrict (26.73672s) stopped
T01 >> 1462345072.56797194 Hartree integrate/restrict (26.73676s) started
T01 << 1462345072.63021302 Hartree integrate/restrict (26.79900s) stopped
T01 >> 1462345072.65203595 Atomic (2081.37116s) started
T01 >> 1462345072.66243410 XC Correction (2077.13468s) started
T01 << 1462345078.91091299 XC Correction (2083.38316s) stopped
T01 << 1462345078.91403389 Atomic (2087.63316s) stopped
T01 >> 1462345078.91418409 Communicate (1583.84725s) started
T01 << 1462345083.61830997 Communicate (1588.55138s) stopped
T01 << 1462345083.61833692 Hamiltonian (7818.05058s) stopped
T01 >> 1462345083.61843491 LCAO eigensolver (2801.19816s) started
T01 >> 1462345083.61844897 Potential matrix (89.38501s) started
T01 << 1462345083.87692094 Potential matrix (89.64348s) stopped
T01 >> 1462345083.87699604 DistributedAtomicCorrection (463.73258s) started
T01 << 1462345085.21488309 DistributedAtomicCorrection (465.07046s) stopped
T01 >> 1462345085.21494508 Distribute overlap matrix (404.17929s) started
T01 >> 1462345085.21496892 blocked summation (383.27528s) started
T01 << 1462345086.28166795 blocked summation (384.34198s) stopped
T01 >> 1462345086.28354001 Scalapack redistribute (20.39487s) started
T01 << 1462345086.34214997 Scalapack redistribute (20.45348s) stopped
T01 << 1462345086.34222889 Distribute overlap matrix (405.30658s) stopped
T01 >> 1462345086.34281206 Blacs Orbital Layouts (960.29676s) started
T01 >> 1462345086.34413409 General diagonalize (941.26268s) started
T01 << 1462345089.04964805 General diagonalize (943.96820s) stopped
T01 >> 1462345089.04971290 Redistribute coefs (1.00545s) started
T01 << 1462345089.05342793 Redistribute coefs (1.00916s) stopped
T01 >> 1462345089.05347395 Send coefs to domains (17.50876s) started
T01 << 1462345089.10436010 Send coefs to domains (17.55964s) stopped
T01 << 1462345089.10471511 Blacs Orbital Layouts (963.05866s) stopped
T01 >> 1462345089.10476804 Calculate projections (883.31333s) started
T01 << 1462345091.62843800 Calculate projections (885.83700s) stopped
T01 << 1462345091.62872505 LCAO eigensolver (2809.20845s) stopped
T01 >> 1462345091.62943292 Density (688.41268s) started
T01 >> 1462345091.62944603 Pseudo density (569.11196s) started
T01 >> 1462345091.62985897 Calculate density matrix (511.88078s) started
T01 << 1462345093.17291689 Calculate density matrix (513.42384s) stopped
T01 >> 1462345093.17300296 Construct density (56.43974s) started
T01 << 1462345093.34729695 Construct density (56.61403s) stopped
T01 >> 1462345093.34878397 Symmetrize density (0.01425s) started
T01 << 1462345093.34881806 Symmetrize density (0.01429s) stopped
T01 << 1462345093.34925508 Pseudo density (570.83177s) stopped
T01 >> 1462345093.34927511 Atomic density matrices (78.92684s) started
T01 << 1462345093.58774900 Atomic density matrices (79.16532s) stopped
T01 >> 1462345093.58779001 Multipole moments (1.27642s) started
T01 << 1462345093.59158111 Multipole moments (1.28021s) stopped
T01 >> 1462345093.59160495 Normalize (0.34682s) started
T01 << 1462345093.59266591 Normalize (0.34788s) stopped
T01 >> 1462345093.59270191 Mix (38.72906s) started
T01 << 1462345093.71469307 Mix (38.85105s) stopped
T01 << 1462345093.71474600 Density (690.49799s) stopped
T01 >> 1462345093.71483111 Hamiltonian (7818.05060s) started
T01 >> 1462345093.71485090 vbar (4.38003s) started
T01 << 1462345093.73095703 vbar (4.39614s) stopped
T01 >> 1462345093.73102093 XC 3D grid (3394.26996s) started
T01 >> 1462345093.91067696 van der Waals (3275.58820s) started
T01 >> 1462345093.95513010 semilocal (741.88430s) started
T01 << 1462345096.20398498 semilocal (744.13316s) stopped
T01 >> 1462345096.23406005 redistribute (367.47032s) started
T01 << 1462345096.60731196 redistribute (367.84358s) stopped
T01 >> 1462345096.60737801 libvdwxc nonlocal (2141.31877s) started
T01 << 1462345103.29325604 libvdwxc nonlocal (2148.00465s) stopped
T01 >> 1462345103.29334092 redistribute (367.84362s) started
T01 << 1462345103.95699596 redistribute (368.50727s) stopped
T01 << 1462345103.95825195 van der Waals (3285.63578s) stopped
T01 << 1462345104.13158011 XC 3D grid (3404.67052s) stopped
T01 >> 1462345104.13162994 Poisson (709.23815s) started
T01 << 1462345106.49193811 Poisson (711.59846s) stopped
T01 >> 1462345106.49202394 Hartree integrate/restrict (26.79903s) started
T01 << 1462345106.51095510 Hartree integrate/restrict (26.81796s) stopped
T01 >> 1462345106.51104903 Hartree integrate/restrict (26.81803s) started
T01 << 1462345106.57320595 Hartree integrate/restrict (26.88019s) stopped
T01 >> 1462345106.59450412 Atomic (2087.63317s) started
T01 >> 1462345106.60500598 XC Correction (2083.38318s) started
T01 << 1462345112.87558508 XC Correction (2089.65376s) stopped
T01 << 1462345112.87874889 Atomic (2093.91742s) stopped
T01 >> 1462345112.87889791 Communicate (1588.55139s) started
T01 << 1462345117.63554001 Communicate (1593.30804s) stopped
T01 << 1462345117.63556695 Hamiltonian (7841.97133s) stopped
T01 >> 1462345117.63566709 LCAO eigensolver (2809.20847s) started
T01 >> 1462345117.63568091 Potential matrix (89.64352s) started
T01 << 1462345117.89524698 Potential matrix (89.90309s) stopped
T01 >> 1462345117.89532208 DistributedAtomicCorrection (465.07050s) started
T01 << 1462345119.24363589 DistributedAtomicCorrection (466.41882s) stopped
T01 >> 1462345119.24370193 Distribute overlap matrix (405.30659s) started
T01 >> 1462345119.24372506 blocked summation (384.34202s) started
T01 << 1462345120.30617404 blocked summation (385.40447s) stopped
T01 >> 1462345120.30796289 Scalapack redistribute (20.45351s) started
T01 << 1462345120.36746097 Scalapack redistribute (20.51301s) stopped
T01 << 1462345120.36753988 Distribute overlap matrix (406.43043s) stopped
T01 >> 1462345120.36810899 Blacs Orbital Layouts (963.05868s) started
T01 >> 1462345120.36970401 General diagonalize (943.96824s) started
T01 << 1462345123.07218599 General diagonalize (946.67072s) stopped
T01 >> 1462345123.07224703 Redistribute coefs (1.00920s) started
T01 << 1462345123.07525110 Redistribute coefs (1.01220s) stopped
T01 >> 1462345123.07529712 Send coefs to domains (17.55969s) started
T01 << 1462345123.12528801 Send coefs to domains (17.60968s) stopped
T01 << 1462345123.12577391 Blacs Orbital Layouts (965.81635s) stopped
T01 >> 1462345123.12582803 Calculate projections (885.83705s) started
T01 << 1462345125.64949703 Calculate projections (888.36072s) stopped
T01 << 1462345125.64977598 LCAO eigensolver (2817.22258s) stopped
T01 >> 1462345125.65049791 Density (690.49800s) started
T01 >> 1462345125.65051007 Pseudo density (570.83179s) started
T01 >> 1462345125.65091491 Calculate density matrix (513.42388s) started
T01 << 1462345127.19080806 Calculate density matrix (514.96378s) stopped
T01 >> 1462345127.19090390 Construct density (56.61406s) started
T01 << 1462345127.36511898 Construct density (56.78828s) stopped
T01 >> 1462345127.36656690 Symmetrize density (0.01430s) started
T01 << 1462345127.36660099 Symmetrize density (0.01433s) stopped
T01 << 1462345127.36705089 Pseudo density (572.54833s) stopped
T01 >> 1462345127.36707091 Atomic density matrices (79.16535s) started
T01 << 1462345127.60705209 Atomic density matrices (79.40533s) stopped
T01 >> 1462345127.60709310 Multipole moments (1.28023s) started
T01 << 1462345127.61086202 Multipole moments (1.28400s) stopped
T01 >> 1462345127.61088490 Normalize (0.34791s) started
T01 << 1462345127.61194706 Normalize (0.34897s) stopped
T01 >> 1462345127.61198211 Mix (38.85110s) started
T01 << 1462345127.73092008 Mix (38.97004s) stopped
T01 << 1462345127.73101091 Density (692.57852s) stopped
T01 >> 1462345127.73109388 Hamiltonian (7841.97135s) started
T01 >> 1462345127.73111200 vbar (4.39618s) started
T01 << 1462345127.74808788 vbar (4.41315s) stopped
T01 >> 1462345127.74820089 XC 3D grid (3404.67055s) started
T01 >> 1462345127.92827106 van der Waals (3285.63585s) started
T01 >> 1462345127.97383499 semilocal (744.13321s) started
T01 << 1462345130.18036890 semilocal (746.33974s) stopped
T01 >> 1462345130.21200490 redistribute (368.50736s) started
T01 << 1462345130.60379910 redistribute (368.89915s) stopped
T01 >> 1462345130.60386395 libvdwxc nonlocal (2148.00470s) started
T01 << 1462345137.30534792 libvdwxc nonlocal (2154.70619s) stopped
T01 >> 1462345137.30543208 redistribute (368.89919s) started
T01 << 1462345137.96058989 redistribute (369.55435s) stopped
T01 << 1462345137.96160889 van der Waals (3295.66919s) stopped
T01 << 1462345138.14354801 XC 3D grid (3415.06590s) stopped
T01 >> 1462345138.14359689 Poisson (711.59853s) started
T01 << 1462345140.50559092 Poisson (713.96052s) stopped
T01 >> 1462345140.50566792 Hartree integrate/restrict (26.88023s) started
T01 << 1462345140.52430296 Hartree integrate/restrict (26.89886s) stopped
T01 >> 1462345140.52437305 Hartree integrate/restrict (26.89891s) started
T01 << 1462345140.58583498 Hartree integrate/restrict (26.96037s) stopped
T01 >> 1462345140.60336304 Atomic (2093.91744s) started
T01 >> 1462345140.61358690 XC Correction (2089.65379s) started
T01 << 1462345146.90191698 XC Correction (2095.94212s) stopped
T01 << 1462345146.90501308 Atomic (2100.21909s) stopped
T01 >> 1462345146.90516305 Communicate (1593.30805s) started
T01 << 1462345151.57581091 Communicate (1597.97870s) stopped
T01 << 1462345151.57583809 Hamiltonian (7865.81609s) stopped
T01 >> 1462345151.57593298 LCAO eigensolver (2817.22259s) started
T01 >> 1462345151.57594609 Potential matrix (89.90313s) started
T01 << 1462345151.83386397 Potential matrix (90.16105s) stopped
T01 >> 1462345151.83393693 DistributedAtomicCorrection (466.41886s) started
T01 << 1462345153.17002296 DistributedAtomicCorrection (467.75494s) stopped
T01 >> 1462345153.17008400 Distribute overlap matrix (406.43044s) started
T01 >> 1462345153.17010593 blocked summation (385.40451s) started
T01 << 1462345154.26187706 blocked summation (386.49628s) stopped
T01 >> 1462345154.26368403 Scalapack redistribute (20.51305s) started
T01 << 1462345154.32315803 Scalapack redistribute (20.57252s) stopped
T01 << 1462345154.32324004 Distribute overlap matrix (407.58360s) stopped
T01 >> 1462345154.32383895 Blacs Orbital Layouts (965.81637s) started
T01 >> 1462345154.32501292 General diagonalize (946.67076s) started
T01 << 1462345157.04452801 General diagonalize (949.39027s) stopped
T01 >> 1462345157.04459000 Redistribute coefs (1.01224s) started
T01 << 1462345157.04816604 Redistribute coefs (1.01581s) stopped
T01 >> 1462345157.04821205 Send coefs to domains (17.60972s) started
T01 << 1462345157.09745502 Send coefs to domains (17.65896s) stopped
T01 << 1462345157.09775209 Blacs Orbital Layouts (968.59028s) stopped
T01 >> 1462345157.09780502 Calculate projections (888.36078s) started
T01 << 1462345159.62159610 Calculate projections (890.88457s) stopped
T01 << 1462345159.62187409 LCAO eigensolver (2825.26854s) stopped
T01 >> 1462345159.62259603 Density (692.57853s) started
T01 >> 1462345159.62260890 Pseudo density (572.54834s) started
T01 >> 1462345159.62301898 Calculate density matrix (514.96382s) started
T01 << 1462345161.15890002 Calculate density matrix (516.49970s) stopped
T01 >> 1462345161.15899396 Construct density (56.78832s) started
T01 << 1462345161.33320403 Construct density (56.96253s) stopped
T01 >> 1462345161.33465695 Symmetrize density (0.01434s) started
T01 << 1462345161.33469200 Symmetrize density (0.01438s) stopped
T01 << 1462345161.33513308 Pseudo density (574.26087s) stopped
T01 >> 1462345161.33515191 Atomic density matrices (79.40536s) started
T01 << 1462345161.57450795 Atomic density matrices (79.64471s) stopped
T01 >> 1462345161.57454801 Multipole moments (1.28401s) started
T01 << 1462345161.57838297 Multipole moments (1.28785s) stopped
T01 >> 1462345161.57840490 Normalize (0.34900s) started
T01 << 1462345161.57944703 Normalize (0.35004s) stopped
T01 >> 1462345161.57948089 Mix (38.97013s) started
T01 << 1462345161.70051408 Mix (39.09116s) stopped
T01 << 1462345161.70060205 Density (694.65654s) stopped
T01 >> 1462345161.70068693 Hamiltonian (7865.81610s) started
T01 >> 1462345161.70070696 vbar (4.41322s) started
T01 << 1462345161.71653199 vbar (4.42904s) stopped
T01 >> 1462345161.71663404 XC 3D grid (3415.06594s) started
T01 >> 1462345161.89394403 van der Waals (3295.66924s) started
T01 >> 1462345161.93796802 semilocal (746.33987s) started
T01 << 1462345164.14938807 semilocal (748.55129s) stopped
T01 >> 1462345164.18131208 redistribute (369.55440s) started
T01 << 1462345164.56620312 redistribute (369.93929s) stopped
T01 >> 1462345164.56626892 libvdwxc nonlocal (2154.70625s) started
T01 << 1462345171.26258898 libvdwxc nonlocal (2161.40257s) stopped
T01 >> 1462345171.26268291 redistribute (369.93933s) started
T01 << 1462345171.91580009 redistribute (370.59244s) stopped
T01 << 1462345171.91684794 van der Waals (3305.69214s) stopped
T01 << 1462345172.09865594 XC 3D grid (3425.44796s) stopped
T01 >> 1462345172.09872007 Poisson (713.96058s) started
T01 << 1462345174.45868397 Poisson (716.32054s) stopped
T01 >> 1462345174.45878196 Hartree integrate/restrict (26.96041s) started
T01 << 1462345174.47743511 Hartree integrate/restrict (26.97907s) stopped
T01 >> 1462345174.47757912 Hartree integrate/restrict (26.97916s) started
T01 << 1462345174.53988791 Hartree integrate/restrict (27.04147s) stopped
T01 >> 1462345174.55973697 Atomic (2100.21910s) started
T01 >> 1462345174.57001591 XC Correction (2095.94214s) started
T01 << 1462345180.94516492 XC Correction (2102.31729s) stopped
T01 << 1462345180.94826889 Atomic (2106.60764s) stopped
T01 >> 1462345180.94842005 Communicate (1597.97872s) started
T01 << 1462345185.55039597 Communicate (1602.58070s) stopped
T01 << 1462345185.55042410 Hamiltonian (7889.66584s) stopped
T01 >> 1462345185.55051804 LCAO eigensolver (2825.26855s) started
T01 >> 1462345185.55053210 Potential matrix (90.16109s) started
T01 << 1462345185.81073093 Potential matrix (90.42129s) stopped
T01 >> 1462345185.81080699 DistributedAtomicCorrection (467.75498s) started
T01 << 1462345187.13876104 DistributedAtomicCorrection (469.08293s) stopped
T01 >> 1462345187.13882303 Distribute overlap matrix (407.58363s) started
T01 >> 1462345187.13884592 blocked summation (386.49632s) started
T01 << 1462345188.23513198 blocked summation (387.59260s) stopped
T01 >> 1462345188.23689103 Scalapack redistribute (20.57256s) started
T01 << 1462345188.29594207 Scalapack redistribute (20.63161s) stopped
T01 << 1462345188.29602194 Distribute overlap matrix (408.74083s) stopped
T01 >> 1462345188.29659605 Blacs Orbital Layouts (968.59030s) started
T01 >> 1462345188.29795289 General diagonalize (949.39031s) started
T01 << 1462345191.00808001 General diagonalize (952.10044s) stopped
T01 >> 1462345191.00814104 Redistribute coefs (1.01585s) started
T01 << 1462345191.01176405 Redistribute coefs (1.01947s) stopped
T01 >> 1462345191.01181197 Send coefs to domains (17.65900s) started
T01 << 1462345191.06089902 Send coefs to domains (17.70809s) stopped
T01 << 1462345191.06124806 Blacs Orbital Layouts (971.35495s) stopped
T01 >> 1462345191.06130290 Calculate projections (890.88462s) started
T01 << 1462345193.58497000 Calculate projections (893.40829s) stopped
T01 << 1462345193.58524799 LCAO eigensolver (2833.30328s) stopped
T01 >> 1462345193.58598089 Density (694.65655s) started
T01 >> 1462345193.58599401 Pseudo density (574.26088s) started
T01 >> 1462345193.58639598 Calculate density matrix (516.49975s) started
T01 << 1462345195.12185192 Calculate density matrix (518.03521s) stopped
T01 >> 1462345195.12194300 Construct density (56.96256s) started
T01 << 1462345195.29610896 Construct density (57.13673s) stopped
T01 >> 1462345195.29754305 Symmetrize density (0.01439s) started
T01 << 1462345195.29757500 Symmetrize density (0.01442s) stopped
T01 << 1462345195.29802489 Pseudo density (575.97291s) stopped
T01 >> 1462345195.29804397 Atomic density matrices (79.64474s) started
T01 << 1462345195.53757000 Atomic density matrices (79.88427s) stopped
T01 >> 1462345195.53761005 Multipole moments (1.28786s) started
T01 << 1462345195.54139090 Multipole moments (1.29165s) stopped
T01 >> 1462345195.54141307 Normalize (0.35006s) started
T01 << 1462345195.54246211 Normalize (0.35111s) stopped
T01 >> 1462345195.54249907 Mix (39.09125s) started
T01 << 1462345195.66377211 Mix (39.21252s) stopped
T01 << 1462345195.66387105 Density (696.73444s) stopped
T01 >> 1462345195.66395211 Hamiltonian (7889.66585s) started
T01 >> 1462345195.66397095 vbar (4.42910s) started
T01 << 1462345195.68047190 vbar (4.44560s) stopped
T01 >> 1462345195.68058610 XC 3D grid (3425.44801s) started
T01 >> 1462345195.85815406 van der Waals (3305.69219s) started
T01 >> 1462345195.90258098 semilocal (748.55137s) started
T01 << 1462345198.11178899 semilocal (750.76058s) stopped
T01 >> 1462345198.14572811 redistribute (370.59250s) started
T01 << 1462345198.53635907 redistribute (370.98313s) stopped
T01 >> 1462345198.53642511 libvdwxc nonlocal (2161.40262s) started
T01 << 1462345205.23787594 libvdwxc nonlocal (2168.10407s) stopped
T01 >> 1462345205.23793697 redistribute (370.98317s) started
T01 << 1462345205.88705492 redistribute (371.63228s) stopped
T01 << 1462345205.88802409 van der Waals (3315.72206s) stopped
T01 << 1462345206.06995296 XC 3D grid (3435.83738s) stopped
T01 >> 1462345206.07000303 Poisson (716.32061s) started
T01 << 1462345207.85308099 Poisson (718.10369s) stopped
T01 >> 1462345207.85314989 Hartree integrate/restrict (27.04152s) started
T01 << 1462345207.87219691 Hartree integrate/restrict (27.06057s) stopped
T01 >> 1462345207.87227511 Hartree integrate/restrict (27.06062s) started
T01 << 1462345207.93368912 Hartree integrate/restrict (27.12203s) stopped
T01 >> 1462345207.95212793 Atomic (2106.60765s) started
T01 >> 1462345207.96251106 XC Correction (2102.31731s) started
T01 << 1462345214.23309112 XC Correction (2108.58789s) stopped
T01 << 1462345214.23622298 Atomic (2112.89175s) stopped
T01 >> 1462345214.23637390 Communicate (1602.58071s) started
T01 << 1462345219.20651793 Communicate (1607.55086s) stopped
T01 << 1462345219.20654392 Hamiltonian (7913.20844s) stopped
T01 >> 1462345219.20664310 LCAO eigensolver (2833.30330s) started
T01 >> 1462345219.20665693 Potential matrix (90.42133s) started
T01 << 1462345219.46694207 Potential matrix (90.68161s) stopped
T01 >> 1462345219.46701407 DistributedAtomicCorrection (469.08297s) started
T01 << 1462345220.79270411 DistributedAtomicCorrection (470.40866s) stopped
T01 >> 1462345220.79276705 Distribute overlap matrix (408.74084s) started
T01 >> 1462345220.79278898 blocked summation (387.59264s) started
T01 << 1462345221.87324309 blocked summation (388.67309s) stopped
T01 >> 1462345221.87503195 Scalapack redistribute (20.63165s) started
T01 << 1462345221.93499994 Scalapack redistribute (20.69161s) stopped
T01 << 1462345221.93508101 Distribute overlap matrix (409.88316s) stopped
T01 >> 1462345221.93565297 Blacs Orbital Layouts (971.35497s) started
T01 >> 1462345221.93723011 General diagonalize (952.10047s) started
T01 << 1462345224.65501404 General diagonalize (954.81826s) stopped
T01 >> 1462345224.65507793 Redistribute coefs (1.01951s) started
T01 << 1462345224.65771008 Redistribute coefs (1.02214s) stopped
T01 >> 1462345224.65778995 Send coefs to domains (17.70814s) started
T01 << 1462345224.70832896 Send coefs to domains (17.75867s) stopped
T01 << 1462345224.70882392 Blacs Orbital Layouts (974.12814s) stopped
T01 >> 1462345224.70887899 Calculate projections (893.40834s) started
T01 << 1462345227.23255301 Calculate projections (895.93202s) stopped
T01 << 1462345227.23283505 LCAO eigensolver (2841.32950s) stopped
T01 >> 1462345227.23356605 Density (696.73446s) started
T01 >> 1462345227.23357892 Pseudo density (575.97293s) started
T01 >> 1462345227.23398399 Calculate density matrix (518.03525s) started
T01 << 1462345228.76646304 Calculate density matrix (519.56773s) stopped
T01 >> 1462345228.76655412 Construct density (57.13676s) started
T01 << 1462345228.94076300 Construct density (57.31097s) stopped
T01 >> 1462345228.94221592 Symmetrize density (0.01443s) started
T01 << 1462345228.94224906 Symmetrize density (0.01447s) stopped
T01 << 1462345228.94269395 Pseudo density (577.68204s) stopped
T01 >> 1462345228.94271398 Atomic density matrices (79.88429s) started
T01 << 1462345229.18187308 Atomic density matrices (80.12345s) stopped
T01 >> 1462345229.18191290 Multipole moments (1.29166s) started
T01 << 1462345229.18568897 Multipole moments (1.29544s) stopped
T01 >> 1462345229.18571210 Normalize (0.35114s) started
T01 << 1462345229.18675399 Normalize (0.35218s) stopped
T01 >> 1462345229.18678999 Mix (39.21262s) started
T01 << 1462345229.30452609 Mix (39.33035s) stopped
T01 << 1462345229.30460691 Density (698.80550s) stopped
T01 >> 1462345229.30468798 Hamiltonian (7913.20846s) started
T01 >> 1462345229.30470705 vbar (4.44567s) started
T01 << 1462345229.32159090 vbar (4.46255s) stopped
T01 >> 1462345229.32168007 XC 3D grid (3435.83742s) started
T01 >> 1462345229.50047112 van der Waals (3315.72211s) started
T01 >> 1462345229.54525399 semilocal (750.76063s) started
T01 << 1462345231.74622989 semilocal (752.96160s) stopped
T01 >> 1462345231.77817106 redistribute (371.63233s) started
T01 << 1462345232.16484308 redistribute (372.01900s) stopped
T01 >> 1462345232.16490793 libvdwxc nonlocal (2168.10411s) started
T01 << 1462345238.85419607 libvdwxc nonlocal (2174.79339s) stopped
T01 >> 1462345238.85426497 redistribute (372.01904s) started
T01 << 1462345239.50257301 redistribute (372.66735s) stopped
T01 << 1462345239.50360799 van der Waals (3325.72524s) stopped
T01 << 1462345239.68346190 XC 3D grid (3446.19920s) stopped
T01 >> 1462345239.68350697 Poisson (718.10374s) started
T01 << 1462345241.46575904 Poisson (719.88600s) stopped
T01 >> 1462345241.46582699 Hartree integrate/restrict (27.12208s) started
T01 << 1462345241.48467112 Hartree integrate/restrict (27.14093s) stopped
T01 >> 1462345241.48474789 Hartree integrate/restrict (27.14098s) started
T01 << 1462345241.55244207 Hartree integrate/restrict (27.20868s) stopped
T01 >> 1462345241.56518888 Atomic (2112.89176s) started
T01 >> 1462345241.57559299 XC Correction (2108.58792s) started
T01 << 1462345247.85173893 XC Correction (2114.86406s) stopped
T01 << 1462345247.85488892 Atomic (2119.18146s) stopped
T01 >> 1462345247.85503697 Communicate (1607.55087s) started
T01 << 1462345252.73409104 Communicate (1612.42993s) stopped
T01 << 1462345252.73411894 Hamiltonian (7936.63789s) stopped
T01 >> 1462345252.73421502 LCAO eigensolver (2841.32952s) started
T01 >> 1462345252.73422909 Potential matrix (90.68165s) started
T01 << 1462345252.99272990 Potential matrix (90.94015s) stopped
T01 >> 1462345252.99280596 DistributedAtomicCorrection (470.40870s) started
T01 << 1462345254.33603001 DistributedAtomicCorrection (471.75192s) stopped
T01 >> 1462345254.33609104 Distribute overlap matrix (409.88317s) started
T01 >> 1462345254.33611393 blocked summation (388.67313s) started
T01 << 1462345255.42695904 blocked summation (389.76398s) stopped
T01 >> 1462345255.42845702 Scalapack redistribute (20.69165s) started
T01 << 1462345255.48811603 Scalapack redistribute (20.75131s) stopped
T01 << 1462345255.48819709 Distribute overlap matrix (411.03528s) stopped
T01 >> 1462345255.48877811 Blacs Orbital Layouts (974.12816s) started
T01 >> 1462345255.48993993 General diagonalize (954.81830s) started
T01 << 1462345258.22284389 General diagonalize (957.55120s) stopped
T01 >> 1462345258.22290707 Redistribute coefs (1.02218s) started
T01 << 1462345258.22662997 Redistribute coefs (1.02590s) stopped
T01 >> 1462345258.22668099 Send coefs to domains (17.75871s) started
T01 << 1462345258.27573490 Send coefs to domains (17.80777s) stopped
T01 << 1462345258.27605295 Blacs Orbital Layouts (976.91543s) stopped
T01 >> 1462345258.27610493 Calculate projections (895.93207s) started
T01 << 1462345260.79963493 Calculate projections (898.45560s) stopped
T01 << 1462345260.79971910 LCAO eigensolver (2849.39502s) stopped
T01 >> 1462345260.80046701 Density (698.80552s) started
T01 >> 1462345260.80047989 Pseudo density (577.68206s) started
T01 >> 1462345260.80089092 Calculate density matrix (519.56777s) started
T01 << 1462345262.33609605 Calculate density matrix (521.10298s) stopped
T01 >> 1462345262.33618903 Construct density (57.31100s) started
T01 << 1462345262.51034498 Construct density (57.48516s) stopped
T01 >> 1462345262.51179695 Symmetrize density (0.01448s) started
T01 << 1462345262.51183009 Symmetrize density (0.01451s) stopped
T01 << 1462345262.51226807 Pseudo density (579.39384s) stopped
T01 >> 1462345262.51228690 Atomic density matrices (80.12348s) started
T01 << 1462345262.75152111 Atomic density matrices (80.36271s) stopped
T01 >> 1462345262.75156093 Multipole moments (1.29545s) started
T01 << 1462345262.75537109 Multipole moments (1.29926s) stopped
T01 >> 1462345262.75539398 Normalize (0.35220s) started
T01 << 1462345262.75644708 Normalize (0.35326s) stopped
T01 >> 1462345262.75648308 Mix (39.33043s) started
T01 << 1462345262.87693405 Mix (39.45088s) stopped
T01 << 1462345262.87703896 Density (700.88209s) stopped
T01 >> 1462345262.87713194 Hamiltonian (7936.63790s) started
T01 >> 1462345262.87715411 vbar (4.46260s) started
T01 << 1462345262.89320207 vbar (4.47865s) stopped
T01 >> 1462345262.89330602 XC 3D grid (3446.19923s) started
T01 >> 1462345263.07312799 van der Waals (3325.72529s) started
T01 >> 1462345263.11641908 semilocal (752.96169s) started
T01 << 1462345265.34018207 semilocal (755.18546s) stopped
T01 >> 1462345265.37295103 redistribute (372.66739s) started
T01 << 1462345265.76112509 redistribute (373.05557s) stopped
T01 >> 1462345265.76118994 libvdwxc nonlocal (2174.79344s) started
T01 << 1462345272.45084000 libvdwxc nonlocal (2181.48309s) stopped
T01 >> 1462345272.45089889 redistribute (373.05560s) started
T01 << 1462345273.10240102 redistribute (373.70710s) stopped
T01 << 1462345273.10342312 van der Waals (3335.75559s) stopped
T01 << 1462345273.28416300 XC 3D grid (3456.59009s) stopped
T01 >> 1462345273.28422689 Poisson (719.88605s) started
T01 << 1462345275.06622696 Poisson (721.66805s) stopped
T01 >> 1462345275.06632805 Hartree integrate/restrict (27.20871s) started
T01 << 1462345275.08500195 Hartree integrate/restrict (27.22739s) stopped
T01 >> 1462345275.08510590 Hartree integrate/restrict (27.22746s) started
T01 << 1462345275.14695191 Hartree integrate/restrict (27.28930s) stopped
T01 >> 1462345275.16741800 Atomic (2119.18148s) started
T01 >> 1462345275.17796803 XC Correction (2114.86409s) started
T01 << 1462345281.45329595 XC Correction (2121.13941s) stopped
T01 << 1462345281.45642900 Atomic (2125.47049s) stopped
T01 >> 1462345281.45658207 Communicate (1612.42995s) started
T01 << 1462345286.18071103 Communicate (1617.15408s) stopped
T01 << 1462345286.18073893 Hamiltonian (7959.94151s) stopped
T01 >> 1462345286.18084192 LCAO eigensolver (2849.39503s) started
T01 >> 1462345286.18085599 Potential matrix (90.94019s) started
T01 << 1462345286.43974805 Potential matrix (91.19908s) stopped
T01 >> 1462345286.43982196 DistributedAtomicCorrection (471.75196s) started
T01 << 1462345287.78146100 DistributedAtomicCorrection (473.09360s) stopped
T01 >> 1462345287.78152394 Distribute overlap matrix (411.03529s) started
T01 >> 1462345287.78154612 blocked summation (389.76402s) started
T01 << 1462345288.87536001 blocked summation (390.85783s) stopped
T01 >> 1462345288.87709904 Scalapack redistribute (20.75135s) started
T01 << 1462345288.93605304 Scalapack redistribute (20.81030s) stopped
T01 << 1462345288.93613291 Distribute overlap matrix (412.18990s) stopped
T01 >> 1462345288.93670297 Blacs Orbital Layouts (976.91545s) started
T01 >> 1462345288.93786407 General diagonalize (957.55124s) started
T01 << 1462345291.63683796 General diagonalize (960.25021s) stopped
T01 >> 1462345291.63690090 Redistribute coefs (1.02594s) started
T01 << 1462345291.64053798 Redistribute coefs (1.02958s) stopped
T01 >> 1462345291.64058590 Send coefs to domains (17.80781s) started
T01 << 1462345291.69013810 Send coefs to domains (17.85736s) stopped
T01 << 1462345291.69042993 Blacs Orbital Layouts (979.66917s) stopped
T01 >> 1462345291.69048309 Calculate projections (898.45566s) started
T01 << 1462345294.21403193 Calculate projections (900.97921s) stopped
T01 << 1462345294.21430612 LCAO eigensolver (2857.42850s) stopped
T01 >> 1462345294.21503901 Density (700.88210s) started
T01 >> 1462345294.21505189 Pseudo density (579.39386s) started
T01 >> 1462345294.21545410 Calculate density matrix (521.10302s) started
T01 << 1462345295.75308895 Calculate density matrix (522.64066s) stopped
T01 >> 1462345295.75317192 Construct density (57.48519s) started
T01 << 1462345295.92721391 Construct density (57.65924s) stopped
T01 >> 1462345295.92870808 Symmetrize density (0.01452s) started
T01 << 1462345295.92874098 Symmetrize density (0.01456s) stopped
T01 << 1462345295.92917395 Pseudo density (581.10798s) stopped
T01 >> 1462345295.92919397 Atomic density matrices (80.36274s) started
T01 << 1462345296.16935611 Atomic density matrices (80.60290s) stopped
T01 >> 1462345296.16939592 Multipole moments (1.29928s) started
T01 << 1462345296.17323589 Multipole moments (1.30312s) stopped
T01 >> 1462345296.17325902 Normalize (0.35328s) started
T01 << 1462345296.17431211 Normalize (0.35434s) stopped
T01 >> 1462345296.17434597 Mix (39.45098s) started
T01 << 1462345296.29670191 Mix (39.57334s) stopped
T01 << 1462345296.29674697 Density (702.96381s) stopped
T01 >> 1462345296.29681993 Hamiltonian (7959.94152s) started
T01 >> 1462345296.29683805 vbar (4.47871s) started
T01 << 1462345296.31307101 vbar (4.49494s) stopped
T01 >> 1462345296.31313705 XC 3D grid (3456.59014s) started
T01 >> 1462345296.48592901 van der Waals (3335.75563s) started
T01 >> 1462345296.53088188 semilocal (755.18554s) started
T01 << 1462345298.75086999 semilocal (757.40553s) stopped
T01 >> 1462345298.78224611 redistribute (373.70715s) started
T01 << 1462345299.16673493 redistribute (374.09164s) stopped
T01 >> 1462345299.16679907 libvdwxc nonlocal (2181.48313s) started
T01 << 1462345305.84801292 libvdwxc nonlocal (2188.16434s) stopped
T01 >> 1462345305.84807205 redistribute (374.09168s) started
T01 << 1462345306.50687408 redistribute (374.75048s) stopped
T01 << 1462345306.50856900 van der Waals (3345.77827s) stopped
T01 << 1462345306.68173909 XC 3D grid (3466.95874s) stopped
T01 >> 1462345306.68178797 Poisson (721.66812s) started
T01 << 1462345308.46595907 Poisson (723.45229s) stopped
T01 >> 1462345308.46603990 Hartree integrate/restrict (27.28935s) started
T01 << 1462345308.48500299 Hartree integrate/restrict (27.30832s) stopped
T01 >> 1462345308.48506999 Hartree integrate/restrict (27.30836s) started
T01 << 1462345308.54726291 Hartree integrate/restrict (27.37056s) stopped
T01 >> 1462345308.56347394 Atomic (2125.47051s) started
T01 >> 1462345308.57410598 XC Correction (2121.13944s) started
T01 << 1462345314.85333800 XC Correction (2127.41867s) stopped
T01 << 1462345314.85648203 Atomic (2131.76352s) stopped
T01 >> 1462345314.85663509 Communicate (1617.15410s) started
T01 << 1462345319.57635689 Communicate (1621.87382s) stopped
T01 << 1462345319.57638407 Hamiltonian (7983.22108s) stopped
T01 >> 1462345319.57648110 LCAO eigensolver (2857.42851s) started
T01 >> 1462345319.57649493 Potential matrix (91.19912s) started
T01 << 1462345319.83562994 Potential matrix (91.45826s) stopped
T01 >> 1462345319.83570290 DistributedAtomicCorrection (473.09363s) started
T01 << 1462345321.17211604 DistributedAtomicCorrection (474.43005s) stopped
T01 >> 1462345321.17217803 Distribute overlap matrix (412.18991s) started
T01 >> 1462345321.17220092 blocked summation (390.85787s) started
T01 << 1462345322.24956393 blocked summation (391.93524s) stopped
T01 >> 1462345322.25137210 Scalapack redistribute (20.81034s) started
T01 << 1462345322.31079006 Scalapack redistribute (20.86976s) stopped
T01 << 1462345322.31087089 Distribute overlap matrix (413.32860s) stopped
T01 >> 1462345322.31143308 Blacs Orbital Layouts (979.66919s) started
T01 >> 1462345322.31357598 General diagonalize (960.25025s) started
T01 << 1462345325.04954100 General diagonalize (962.98622s) stopped
T01 >> 1462345325.04960489 Redistribute coefs (1.02962s) started
T01 << 1462345325.05273795 Redistribute coefs (1.03275s) stopped
T01 >> 1462345325.05278707 Send coefs to domains (17.85741s) started
T01 << 1462345325.10317397 Send coefs to domains (17.90780s) stopped
T01 << 1462345325.10374689 Blacs Orbital Layouts (982.46151s) stopped
T01 >> 1462345325.10380197 Calculate projections (900.97926s) started
T01 << 1462345327.62736106 Calculate projections (903.50282s) stopped
T01 << 1462345327.62763405 LCAO eigensolver (2865.47967s) stopped
T01 >> 1462345327.62838006 Density (702.96383s) started
T01 >> 1462345327.62839293 Pseudo density (581.10799s) started
T01 >> 1462345327.62880301 Calculate density matrix (522.64070s) started
T01 << 1462345329.16684008 Calculate density matrix (524.17874s) stopped
T01 >> 1462345329.16692901 Construct density (57.65927s) started
T01 << 1462345329.34112811 Construct density (57.83347s) stopped
T01 >> 1462345329.34256506 Symmetrize density (0.01457s) started
T01 << 1462345329.34259796 Symmetrize density (0.01460s) stopped
T01 << 1462345329.34304690 Pseudo density (582.82265s) stopped
T01 >> 1462345329.34306598 Atomic density matrices (80.60293s) started
T01 << 1462345329.58159900 Atomic density matrices (80.84147s) stopped
T01 >> 1462345329.58163810 Multipole moments (1.30313s) started
T01 << 1462345329.58548093 Multipole moments (1.30698s) stopped
T01 >> 1462345329.58550406 Normalize (0.35436s) started
T01 << 1462345329.58655906 Normalize (0.35541s) stopped
T01 >> 1462345329.58659291 Mix (39.57338s) started
T01 << 1462345329.70543694 Mix (39.69222s) stopped
T01 << 1462345329.70552707 Density (705.04097s) stopped
T01 >> 1462345329.70560598 Hamiltonian (7983.22110s) started
T01 >> 1462345329.70562410 vbar (4.49498s) started
T01 << 1462345329.72273707 vbar (4.51209s) stopped
T01 >> 1462345329.72282696 XC 3D grid (3466.95878s) started
T01 >> 1462345329.90382004 van der Waals (3345.77836s) started
T01 >> 1462345329.94872403 semilocal (757.40559s) started
T01 << 1462345332.16303802 semilocal (759.61990s) stopped
T01 >> 1462345332.19552112 redistribute (374.75064s) started
T01 << 1462345332.57479191 redistribute (375.12991s) stopped
T01 >> 1462345332.57485795 libvdwxc nonlocal (2188.16438s) started
T01 << 1462345339.28127098 libvdwxc nonlocal (2194.87079s) stopped
T01 >> 1462345339.28135109 redistribute (375.12995s) started
T01 << 1462345339.94018006 redistribute (375.78878s) stopped
T01 << 1462345339.94177699 van der Waals (3355.81632s) stopped
T01 << 1462345340.11247993 XC 3D grid (3477.34843s) stopped
T01 >> 1462345340.11252689 Poisson (723.45235s) started
T01 << 1462345341.31385589 Poisson (724.65368s) stopped
T01 >> 1462345341.31392694 Hartree integrate/restrict (27.37059s) started
T01 << 1462345341.33283901 Hartree integrate/restrict (27.38950s) stopped
T01 >> 1462345341.33289409 Hartree integrate/restrict (27.38954s) started
T01 << 1462345341.39577603 Hartree integrate/restrict (27.45242s) stopped
T01 >> 1462345341.41241693 Atomic (2131.76354s) started
T01 >> 1462345341.42297506 XC Correction (2127.41869s) started
T01 << 1462345347.72039199 XC Correction (2133.71611s) stopped
T01 << 1462345347.72352791 Atomic (2138.07465s) stopped
T01 >> 1462345347.72368312 Communicate (1621.87384s) started
T01 << 1462345352.54324603 Communicate (1626.69340s) stopped
T01 << 1462345352.54327297 Hamiltonian (8006.05876s) stopped
T01 >> 1462345352.54337192 LCAO eigensolver (2865.47968s) started
T01 >> 1462345352.54338598 Potential matrix (91.45830s) started
T01 << 1462345352.80137205 Potential matrix (91.71629s) stopped
T01 >> 1462345352.80144691 DistributedAtomicCorrection (474.43008s) started
T01 << 1462345354.13798904 DistributedAtomicCorrection (475.76663s) stopped
T01 >> 1462345354.13805199 Distribute overlap matrix (413.32862s) started
T01 >> 1462345354.13807511 blocked summation (391.93528s) started
T01 << 1462345355.22720289 blocked summation (393.02440s) stopped
T01 >> 1462345355.22899294 Scalapack redistribute (20.86979s) started
T01 << 1462345355.28886294 Scalapack redistribute (20.92966s) stopped
T01 << 1462345355.28894305 Distribute overlap matrix (414.47951s) stopped
T01 >> 1462345355.28951192 Blacs Orbital Layouts (982.46153s) started
T01 >> 1462345355.29068208 General diagonalize (962.98626s) started
T01 << 1462345357.99850798 General diagonalize (965.69408s) stopped
T01 >> 1462345357.99857092 Redistribute coefs (1.03279s) started
T01 << 1462345358.00209403 Redistribute coefs (1.03631s) stopped
T01 >> 1462345358.00214100 Send coefs to domains (17.90784s) started
T01 << 1462345358.05275297 Send coefs to domains (17.95845s) stopped
T01 << 1462345358.05311799 Blacs Orbital Layouts (985.22513s) stopped
T01 >> 1462345358.05316901 Calculate projections (903.50287s) started
T01 << 1462345360.57678699 Calculate projections (906.02649s) stopped
T01 << 1462345360.57706308 LCAO eigensolver (2873.51338s) stopped
T01 >> 1462345360.57780504 Density (705.04099s) started
T01 >> 1462345360.57781792 Pseudo density (582.82266s) started
T01 >> 1462345360.57822108 Calculate density matrix (524.17878s) started
T01 << 1462345362.11740994 Calculate density matrix (525.71797s) stopped
T01 >> 1462345362.11750007 Construct density (57.83350s) started
T01 << 1462345362.29172707 Construct density (58.00773s) stopped
T01 >> 1462345362.29410195 Symmetrize density (0.01461s) started
T01 << 1462345362.29413605 Symmetrize density (0.01465s) stopped
T01 << 1462345362.29457593 Pseudo density (584.53942s) stopped
T01 >> 1462345362.29459596 Atomic density matrices (80.84149s) started
T01 << 1462345362.53226304 Atomic density matrices (81.07916s) stopped
T01 >> 1462345362.53230309 Multipole moments (1.30699s) started
T01 << 1462345362.53614712 Multipole moments (1.31084s) stopped
T01 >> 1462345362.53616905 Normalize (0.35544s) started
T01 << 1462345362.53721189 Normalize (0.35648s) stopped
T01 >> 1462345362.53724694 Mix (39.69231s) started
T01 << 1462345362.65704799 Mix (39.81211s) stopped
T01 << 1462345362.65712500 Density (707.12031s) stopped
T01 >> 1462345362.65719700 Hamiltonian (8006.05878s) started
T01 >> 1462345362.65721512 vbar (4.51214s) started
T01 << 1462345362.67401910 vbar (4.52895s) stopped
T01 >> 1462345362.67411089 XC 3D grid (3477.34847s) started
T01 >> 1462345362.85531807 van der Waals (3355.81647s) started
T01 >> 1462345362.89942002 semilocal (759.62000s) started
T01 << 1462345365.12723303 semilocal (761.84781s) stopped
T01 >> 1462345365.15856910 redistribute (375.78889s) started
T01 << 1462345365.53215098 redistribute (376.16247s) stopped
T01 >> 1462345365.53221512 libvdwxc nonlocal (2194.87085s) started
T01 << 1462345372.21903801 libvdwxc nonlocal (2201.55767s) stopped
T01 >> 1462345372.21909809 redistribute (376.16250s) started
T01 << 1462345372.87356400 redistribute (376.81697s) stopped
T01 << 1462345372.87462211 van der Waals (3365.83577s) stopped
T01 << 1462345373.05450392 XC 3D grid (3487.72886s) stopped
T01 >> 1462345373.05456400 Poisson (724.65373s) started
T01 << 1462345374.26089096 Poisson (725.86006s) stopped
T01 >> 1462345374.26098990 Hartree integrate/restrict (27.45245s) started
T01 << 1462345374.27954102 Hartree integrate/restrict (27.47100s) stopped
T01 >> 1462345374.27969289 Hartree integrate/restrict (27.47111s) started
T01 << 1462345374.34192395 Hartree integrate/restrict (27.53334s) stopped
T01 >> 1462345374.36387110 Atomic (2138.07467s) started
T01 >> 1462345374.37449694 XC Correction (2133.71613s) started
T01 << 1462345380.68470192 XC Correction (2140.02634s) stopped
T01 << 1462345380.68787599 Atomic (2144.39867s) stopped
T01 >> 1462345380.68802595 Communicate (1626.69342s) started
T01 << 1462345385.52832794 Communicate (1631.53372s) stopped
T01 << 1462345385.52836490 Hamiltonian (8028.92994s) stopped
T01 >> 1462345385.52849197 LCAO eigensolver (2873.51340s) started
T01 >> 1462345385.52850699 Potential matrix (91.71633s) started
T01 << 1462345385.78924298 Potential matrix (91.97706s) stopped
T01 >> 1462345385.78931689 DistributedAtomicCorrection (475.76666s) started
T01 << 1462345387.12809300 DistributedAtomicCorrection (477.10544s) stopped
T01 >> 1462345387.12815595 Distribute overlap matrix (414.47952s) started
T01 >> 1462345387.12817907 blocked summation (393.02445s) started
T01 << 1462345388.21519589 blocked summation (394.11146s) stopped
T01 >> 1462345388.21695709 Scalapack redistribute (20.92970s) started
T01 << 1462345388.27592993 Scalapack redistribute (20.98867s) stopped
T01 << 1462345388.27600789 Distribute overlap matrix (415.62737s) stopped
T01 >> 1462345388.27658105 Blacs Orbital Layouts (985.22515s) started
T01 >> 1462345388.27774405 General diagonalize (965.69412s) started
T01 << 1462345390.98061395 General diagonalize (968.39699s) stopped
T01 >> 1462345390.98067999 Redistribute coefs (1.03635s) started
T01 << 1462345390.98423600 Redistribute coefs (1.03990s) stopped
T01 >> 1462345390.98428202 Send coefs to domains (17.95850s) started
T01 << 1462345391.03340411 Send coefs to domains (18.00762s) stopped
T01 << 1462345391.03374600 Blacs Orbital Layouts (987.98231s) stopped
T01 >> 1462345391.03380108 Calculate projections (906.02654s) started
T01 << 1462345393.55736089 Calculate projections (908.55010s) stopped
T01 << 1462345393.55763793 LCAO eigensolver (2881.54254s) stopped
T01 >> 1462345393.55837202 Density (707.12032s) started
T01 >> 1462345393.55838490 Pseudo density (584.53943s) started
T01 >> 1462345393.55879498 Calculate density matrix (525.71801s) started
T01 << 1462345395.09460497 Calculate density matrix (527.25382s) stopped
T01 >> 1462345395.09469700 Construct density (58.00776s) started
T01 << 1462345395.26883602 Construct density (58.18190s) stopped
T01 >> 1462345395.27027702 Symmetrize density (0.01466s) started
T01 << 1462345395.27030897 Symmetrize density (0.01469s) stopped
T01 << 1462345395.27075791 Pseudo density (586.25181s) stopped
T01 >> 1462345395.27077794 Atomic density matrices (81.07919s) started
T01 << 1462345395.50921297 Atomic density matrices (81.31762s) stopped
T01 >> 1462345395.50925303 Multipole moments (1.31085s) started
T01 << 1462345395.51311588 Multipole moments (1.31471s) stopped
T01 >> 1462345395.51313806 Normalize (0.35651s) started
T01 << 1462345395.51417708 Normalize (0.35755s) stopped
T01 >> 1462345395.51421189 Mix (39.81219s) started
T01 << 1462345395.63587809 Mix (39.93385s) stopped
T01 << 1462345395.63592601 Density (709.19788s) stopped
T01 >> 1462345395.63600397 Hamiltonian (8028.92996s) started
T01 >> 1462345395.63602304 vbar (4.52900s) started
T01 << 1462345395.65223789 vbar (4.54521s) stopped
T01 >> 1462345395.65230203 XC 3D grid (3487.72891s) started
T01 >> 1462345395.83058405 van der Waals (3365.83583s) started
T01 >> 1462345395.87554908 semilocal (761.84789s) started
T01 << 1462345398.09585404 semilocal (764.06819s) stopped
T01 >> 1462345398.12837410 redistribute (376.81703s) started
T01 << 1462345398.50974798 redistribute (377.19840s) stopped
T01 >> 1462345398.50981307 libvdwxc nonlocal (2201.55771s) started
T01 << 1462345405.20766306 libvdwxc nonlocal (2208.25556s) stopped
T01 >> 1462345405.20774293 redistribute (377.19844s) started
T01 << 1462345405.85853505 redistribute (377.84923s) stopped
T01 << 1462345405.85953808 van der Waals (3375.86479s) stopped
T01 << 1462345406.03982496 XC 3D grid (3498.11643s) stopped
T01 >> 1462345406.03987503 Poisson (725.86014s) started
T01 << 1462345407.81477189 Poisson (727.63503s) stopped
T01 >> 1462345407.81484294 Hartree integrate/restrict (27.53339s) started
T01 << 1462345407.83374095 Hartree integrate/restrict (27.55229s) stopped
T01 >> 1462345407.83380890 Hartree integrate/restrict (27.55234s) started
T01 << 1462345407.90196300 Hartree integrate/restrict (27.62049s) stopped
T01 >> 1462345407.91471910 Atomic (2144.39869s) started
T01 >> 1462345407.92519999 XC Correction (2140.02636s) started
T01 << 1462345414.22028995 XC Correction (2146.32145s) stopped
T01 << 1462345414.22344089 Atomic (2150.70741s) stopped
T01 >> 1462345414.22358704 Communicate (1631.53374s) started
T01 << 1462345419.04690409 Communicate (1636.35706s) stopped
T01 << 1462345419.04693103 Hamiltonian (8052.34088s) stopped
T01 >> 1462345419.04702806 LCAO eigensolver (2881.54256s) started
T01 >> 1462345419.04704189 Potential matrix (91.97710s) started
T01 << 1462345419.30672693 Potential matrix (92.23679s) stopped
T01 >> 1462345419.30680299 DistributedAtomicCorrection (477.10548s) started
T01 << 1462345420.64733911 DistributedAtomicCorrection (478.44602s) stopped
T01 >> 1462345420.64739990 Distribute overlap matrix (415.62738s) started
T01 >> 1462345420.64742208 blocked summation (394.11151s) started
T01 << 1462345421.72813511 blocked summation (395.19222s) stopped
T01 >> 1462345421.72992802 Scalapack redistribute (20.98871s) started
T01 << 1462345421.78982306 Scalapack redistribute (21.04860s) stopped
T01 << 1462345421.78990293 Distribute overlap matrix (416.76989s) stopped
T01 >> 1462345421.79047298 Blacs Orbital Layouts (987.98233s) started
T01 >> 1462345421.79205990 General diagonalize (968.39703s) started
T01 << 1462345424.50442410 General diagonalize (971.10939s) stopped
T01 >> 1462345424.50448608 Redistribute coefs (1.03994s) started
T01 << 1462345424.50741005 Redistribute coefs (1.04286s) stopped
T01 >> 1462345424.50745702 Send coefs to domains (18.00766s) started
T01 << 1462345424.55679107 Send coefs to domains (18.05700s) stopped
T01 << 1462345424.55723810 Blacs Orbital Layouts (990.74910s) stopped
T01 >> 1462345424.55729103 Calculate projections (908.55016s) started
T01 << 1462345427.08094907 Calculate projections (911.07382s) stopped
T01 << 1462345427.08122492 LCAO eigensolver (2889.57676s) stopped
T01 << 1462345427.08196306 SCF-cycle (11651.40932s) stopped
T01 >> 1462345427.92603993 Force calculation (501.08439s) started
T01 >> 1462345427.92609906 LCAO forces (319.40668s) started
T01 >> 1462345427.92645693 Initial (0.00038s) started
T01 << 1462345427.92646909 Initial (0.00039s) stopped
T01 >> 1462345427.93070292 Get density matrix (61.81531s) started
T01 << 1462345428.53744793 Get density matrix (62.42206s) stopped
T01 >> 1462345428.53751302 Potential (22.93787s) started
T01 << 1462345429.92459893 Potential (24.32496s) stopped
T01 >> 1462345429.92465401 Get density matrix (62.42209s) started
T01 << 1462345433.10198808 Get density matrix (65.59943s) stopped
T01 >> 1462345433.10210609 Prepare TCI loop (32.10072s) started
T01 >> 1462345433.10257697 Get neighbors (28.29589s) started
T01 << 1462345434.93939090 Get neighbors (30.13270s) stopped
T01 >> 1462345434.93961692 broadcast dH (3.79337s) started
T01 << 1462345434.95808911 broadcast dH (3.81185s) stopped
T01 << 1462345434.95813608 Prepare TCI loop (33.95675s) stopped
T01 >> 1462345434.95815396 Not so complicated loop (44.81615s) started
T01 << 1462345437.67010188 Not so complicated loop (47.52809s) stopped
T01 >> 1462345437.79337192 Complicated loop (155.57018s) started
T01 << 1462345447.23581195 Complicated loop (165.01262s) stopped
T01 >> 1462345447.24789095 Wait for sum (0.00093s) started
T01 << 1462345447.24793291 Wait for sum (0.00097s) stopped
T01 << 1462345447.24794602 LCAO forces (338.72852s) stopped
T01 << 1462345459.40921593 Force calculation (532.56756s) stopped
T01 >> 1462345459.42740107 Initialization (896.02303s) started
T01 << 1462345459.42759204 Initialization (896.02322s) stopped
T01 >> 1462345459.42783999 Initialization (896.02324s) started
T01 << 1462345459.42797399 Initialization (896.02337s) stopped
T01 >> 1462345459.42811203 Initialization (896.02338s) started
T01 << 1462345459.42824507 Initialization (896.02352s) stopped
T01 >> 1462345479.76349807 Initialization (896.02354s) started
T01 >> 1462345479.80995202 Basic WFS set positions (1.71870s) started
T01 >> 1462345479.80997896 Redistribute (0.03737s) started
T01 << 1462345479.81012511 Redistribute (0.03751s) stopped
T01 << 1462345479.90489411 Basic WFS set positions (1.81365s) stopped
T01 >> 1462345479.90492797 Basis functions set positions (7.54448s) started
T01 << 1462345480.31610799 Basis functions set positions (7.95566s) stopped
T01 >> 1462345480.31705189 TCI: Calculate S, T, P (266.39339s) started
T01 << 1462345495.41406798 TCI: Calculate S, T, P (281.49041s) stopped
T01 >> 1462345495.41414690 blocked summation (72.15891s) started
T01 << 1462345498.83158708 blocked summation (75.57635s) stopped
T01 >> 1462345498.83318710 Scalapack redistribute (3.88489s) started
T01 << 1462345498.89262605 Scalapack redistribute (3.94433s) stopped
T01 >> 1462345498.89293790 blocked summation (75.57639s) started
T01 << 1462345499.05413508 blocked summation (75.73759s) stopped
T01 >> 1462345499.05586410 Scalapack redistribute (3.94437s) started
T01 << 1462345499.25276589 Scalapack redistribute (4.14127s) stopped
T01 >> 1462345499.25420904 Redistribute (0.03416s) started
T01 << 1462345499.25519705 Redistribute (0.03515s) stopped
T01 >> 1462345500.15143394 Redistribute (0.03516s) started
T01 << 1462345500.15248108 Redistribute (0.03621s) stopped
T01 >> 1462345500.16322899 LCAO WFS Initialize (524.57191s) started
T01 >> 1462345500.16325808 Density initialize from wavefunctions (20.48733s) started
T01 >> 1462345500.16368103 Calculate density matrix (11.93135s) started
T01 << 1462345500.86468291 Calculate density matrix (12.63236s) stopped
T01 >> 1462345500.86474800 Construct density (2.89457s) started
T01 << 1462345501.04070497 Construct density (3.07052s) stopped
T01 >> 1462345501.04234290 Symmetrize density (0.00071s) started
T01 << 1462345501.04237604 Symmetrize density (0.00074s) stopped
T01 << 1462345501.37782907 Density initialize from wavefunctions (21.70190s) stopped
T01 >> 1462345501.37845397 Hamiltonian (503.87955s) started
T01 >> 1462345501.37849212 vbar (0.24328s) started
T01 << 1462345501.39435196 vbar (0.25914s) stopped
T01 >> 1462345501.39442992 XC 3D grid (183.65894s) started
T01 >> 1462345501.56689596 van der Waals (177.25334s) started
T01 >> 1462345501.61147308 semilocal (39.98628s) started
T01 << 1462345503.80411291 semilocal (42.17892s) stopped
T01 >> 1462345503.83835793 redistribute (19.77798s) started
T01 << 1462345504.24606609 redistribute (20.18569s) stopped
T01 >> 1462345504.24611712 libvdwxc nonlocal (116.14911s) started
T01 << 1462345510.95650005 libvdwxc nonlocal (122.85949s) stopped
T01 >> 1462345510.95655704 redistribute (20.18573s) started
T01 << 1462345511.59354496 redistribute (20.82271s) stopped
T01 << 1462345511.59469700 van der Waals (187.28114s) stopped
T01 << 1462345511.77755189 XC 3D grid (194.04206s) stopped
T01 >> 1462345511.77760005 Poisson (86.07326s) started
T01 << 1462345516.45120811 Poisson (90.74687s) stopped
T01 >> 1462345516.45129204 Hartree integrate/restrict (1.43796s) started
T01 << 1462345516.47028899 Hartree integrate/restrict (1.45696s) stopped
T01 >> 1462345516.47038889 Hartree integrate/restrict (1.45703s) started
T01 << 1462345516.53196192 Hartree integrate/restrict (1.51860s) stopped
T01 >> 1462345516.55407810 Atomic (119.10651s) started
T01 >> 1462345516.56499696 XC Correction (118.87281s) started
T01 << 1462345523.53171396 XC Correction (125.83953s) stopped
T01 << 1462345523.53488898 Atomic (126.08732s) stopped
T01 >> 1462345523.53515100 Communicate (112.95837s) started
T01 << 1462345529.44513106 Communicate (118.86835s) stopped
T01 << 1462345529.44515896 Hamiltonian (531.94626s) stopped
T01 << 1462345529.44521308 LCAO WFS Initialize (553.85389s) stopped
T01 << 1462345529.45761490 Initialization (945.71765s) stopped
T01 >> 1462345529.48291397 SCF-cycle (11651.40933s) started
T01 >> 1462345529.48295689 LCAO eigensolver (2889.57678s) started
T01 >> 1462345529.48296905 Potential matrix (92.23683s) started
T01 << 1462345529.74185705 Potential matrix (92.49571s) stopped
T01 >> 1462345529.74193406 DistributedAtomicCorrection (478.44605s) started
T01 << 1462345531.07196593 DistributedAtomicCorrection (479.77608s) stopped
T01 >> 1462345531.07203102 Distribute overlap matrix (416.76990s) started
T01 >> 1462345531.07205391 blocked summation (395.19226s) started
T01 << 1462345532.13342690 blocked summation (396.25363s) stopped
T01 >> 1462345532.13492799 Scalapack redistribute (21.04864s) started
T01 << 1462345532.19309211 Scalapack redistribute (21.10680s) stopped
T01 << 1462345532.19318390 Distribute overlap matrix (417.89105s) stopped
T01 >> 1462345532.19376206 Blacs Orbital Layouts (990.74911s) started
T01 >> 1462345532.19589710 General diagonalize (971.10943s) started
T01 << 1462345534.92531490 General diagonalize (973.83885s) stopped
T01 >> 1462345534.92536497 Redistribute coefs (1.04290s) started
T01 << 1462345534.92815804 Redistribute coefs (1.04569s) stopped
T01 >> 1462345534.92820501 Send coefs to domains (18.05704s) started
T01 << 1462345534.97917104 Send coefs to domains (18.10801s) stopped
T01 << 1462345534.97974610 Blacs Orbital Layouts (993.53510s) stopped
T01 >> 1462345534.97977901 Calculate projections (911.07387s) started
T01 << 1462345537.50350094 Calculate projections (913.59759s) stopped
T01 << 1462345537.50358105 LCAO eigensolver (2897.59740s) stopped
T01 >> 1462345537.50424910 Density (709.19789s) started
T01 >> 1462345537.50426292 Pseudo density (586.25182s) started
T01 >> 1462345537.50471711 Calculate density matrix (527.25386s) started
T01 << 1462345539.03065300 Calculate density matrix (528.77980s) stopped
T01 >> 1462345539.03072000 Construct density (58.18194s) started
T01 << 1462345539.21116805 Construct density (58.36239s) stopped
T01 >> 1462345539.21259904 Symmetrize density (0.01470s) started
T01 << 1462345539.21263194 Symmetrize density (0.01473s) stopped
T01 << 1462345539.21308303 Pseudo density (587.96064s) stopped
T01 >> 1462345539.21310401 Atomic density matrices (81.31765s) started
T01 << 1462345539.44747901 Atomic density matrices (81.55202s) stopped
T01 >> 1462345539.44752002 Multipole moments (1.31473s) started
T01 << 1462345539.45142007 Multipole moments (1.31863s) stopped
T01 >> 1462345539.45144296 Normalize (0.35757s) started
T01 << 1462345539.45254898 Normalize (0.35868s) stopped
T01 >> 1462345539.45258403 Mix (39.93390s) started
T01 << 1462345539.55664992 Mix (40.03796s) stopped
T01 << 1462345539.55673099 Density (711.25037s) stopped
T01 >> 1462345539.55681300 Hamiltonian (8052.34090s) started
T01 >> 1462345539.55683088 vbar (4.54525s) started
T01 << 1462345539.57376409 vbar (4.56218s) stopped
T01 >> 1462345539.57387400 XC 3D grid (3498.11647s) started
T01 >> 1462345539.74948692 van der Waals (3375.86483s) started
T01 >> 1462345539.79372406 semilocal (764.06829s) started
T01 << 1462345542.01730609 semilocal (766.29188s) stopped
T01 >> 1462345542.05129409 redistribute (377.84928s) started
T01 << 1462345542.44312310 redistribute (378.24111s) stopped
T01 >> 1462345542.44319296 libvdwxc nonlocal (2208.25561s) started
T01 << 1462345549.14619088 libvdwxc nonlocal (2214.95861s) stopped
T01 >> 1462345549.14625597 redistribute (378.24114s) started
T01 << 1462345549.79148602 redistribute (378.88637s) stopped
T01 << 1462345549.79360509 van der Waals (3385.90895s) stopped
T01 << 1462345549.97065711 XC 3D grid (3508.51326s) stopped
T01 >> 1462345549.97071600 Poisson (727.63509s) started
T01 << 1462345552.33379006 Poisson (729.99816s) stopped
T01 >> 1462345552.33391094 Hartree integrate/restrict (27.62053s) started
T01 << 1462345552.35263610 Hartree integrate/restrict (27.63925s) stopped
T01 >> 1462345552.35276103 Hartree integrate/restrict (27.63933s) started
T01 << 1462345552.41579795 Hartree integrate/restrict (27.70237s) stopped
T01 >> 1462345552.43802905 Atomic (2150.70743s) started
T01 >> 1462345552.44857693 XC Correction (2146.32148s) started
T01 << 1462345559.45192289 XC Correction (2153.32482s) stopped
T01 << 1462345559.45504403 Atomic (2157.72444s) stopped
T01 >> 1462345559.45519590 Communicate (1636.35708s) started
T01 << 1462345564.71042490 Communicate (1641.61231s) stopped
T01 << 1462345564.71045399 Hamiltonian (8077.49454s) stopped
T01 >> 1462345564.71055198 LCAO eigensolver (2897.59741s) started
T01 >> 1462345564.71056604 Potential matrix (92.49576s) started
T01 << 1462345564.97070503 Potential matrix (92.75590s) stopped
T01 >> 1462345564.97077894 DistributedAtomicCorrection (479.77612s) started
T01 << 1462345566.30565000 DistributedAtomicCorrection (481.11099s) stopped
T01 >> 1462345566.30571699 Distribute overlap matrix (417.89106s) started
T01 >> 1462345566.30574012 blocked summation (396.25367s) started
T01 << 1462345567.36737895 blocked summation (397.31531s) stopped
T01 >> 1462345567.36888504 Scalapack redistribute (21.10684s) started
T01 << 1462345567.42632008 Scalapack redistribute (21.16428s) stopped
T01 << 1462345567.42640400 Distribute overlap matrix (419.01175s) stopped
T01 >> 1462345567.42698693 Blacs Orbital Layouts (993.53512s) started
T01 >> 1462345567.42833209 General diagonalize (973.83889s) started
T01 << 1462345570.13785195 General diagonalize (976.54841s) stopped
T01 >> 1462345570.13791299 Redistribute coefs (1.04573s) started
T01 << 1462345570.14076209 Redistribute coefs (1.04858s) stopped
T01 >> 1462345570.14084506 Send coefs to domains (18.10805s) started
T01 << 1462345570.19053102 Send coefs to domains (18.15774s) stopped
T01 << 1462345570.19087100 Blacs Orbital Layouts (996.29900s) stopped
T01 >> 1462345570.19092488 Calculate projections (913.59764s) started
T01 << 1462345572.71458197 Calculate projections (916.12130s) stopped
T01 << 1462345572.71466494 LCAO eigensolver (2905.60153s) stopped
T01 >> 1462345572.71533608 Density (711.25039s) started
T01 >> 1462345572.71534896 Pseudo density (587.96066s) started
T01 >> 1462345572.71580195 Calculate density matrix (528.77984s) started
T01 << 1462345574.24197197 Calculate density matrix (530.30601s) stopped
T01 >> 1462345574.24203801 Construct density (58.36242s) started
T01 << 1462345574.42207599 Construct density (58.54246s) stopped
T01 >> 1462345574.42349505 Symmetrize density (0.01474s) started
T01 << 1462345574.42352796 Symmetrize density (0.01478s) stopped
T01 << 1462345574.42397904 Pseudo density (589.66929s) stopped
T01 >> 1462345574.42399812 Atomic density matrices (81.55205s) started
T01 << 1462345574.65851498 Atomic density matrices (81.78657s) stopped
T01 >> 1462345574.65855598 Multipole moments (1.31864s) started
T01 << 1462345574.66246510 Multipole moments (1.32255s) stopped
T01 >> 1462345574.66248703 Normalize (0.35870s) started
T01 << 1462345574.66361189 Normalize (0.35983s) stopped
T01 >> 1462345574.66364789 Mix (40.03804s) started
T01 << 1462345574.77354693 Mix (40.14794s) stopped
T01 << 1462345574.77362490 Density (713.30868s) stopped
T01 >> 1462345574.77372408 Hamiltonian (8077.49455s) started
T01 >> 1462345574.77374506 vbar (4.56224s) started
T01 << 1462345574.78941607 vbar (4.57792s) stopped
T01 >> 1462345574.78950810 XC 3D grid (3508.51330s) started
T01 >> 1462345574.96244407 van der Waals (3385.90907s) started
T01 >> 1462345575.00745392 semilocal (766.29196s) started
T01 << 1462345577.23838496 semilocal (768.52289s) stopped
T01 >> 1462345577.27198291 redistribute (378.88651s) started
T01 << 1462345577.66410208 redistribute (379.27863s) stopped
T01 >> 1462345577.66419792 libvdwxc nonlocal (2214.95866s) started
T01 << 1462345584.36907506 libvdwxc nonlocal (2221.66353s) stopped
T01 >> 1462345584.36915898 redistribute (379.27869s) started
T01 << 1462345585.01476502 redistribute (379.92430s) stopped
T01 << 1462345585.01595712 van der Waals (3395.96259s) stopped
T01 << 1462345585.19797397 XC 3D grid (3518.92177s) stopped
T01 >> 1462345585.19802499 Poisson (729.99825s) started
T01 << 1462345587.55646396 Poisson (732.35669s) stopped
T01 >> 1462345587.55655408 Hartree integrate/restrict (27.70241s) started
T01 << 1462345587.57590604 Hartree integrate/restrict (27.72176s) stopped
T01 >> 1462345587.57595301 Hartree integrate/restrict (27.72180s) started
T01 << 1462345587.63915992 Hartree integrate/restrict (27.78500s) stopped
T01 >> 1462345587.66121888 Atomic (2157.72446s) started
T01 >> 1462345587.67168593 XC Correction (2153.32485s) started
T01 << 1462345594.45003295 XC Correction (2160.10319s) stopped
T01 << 1462345594.45314288 Atomic (2164.51638s) stopped
T01 >> 1462345594.45329809 Communicate (1641.61233s) started
T01 << 1462345599.33632588 Communicate (1646.49536s) stopped
T01 << 1462345599.33635402 Hamiltonian (8102.05718s) stopped
T01 >> 1462345599.33644700 LCAO eigensolver (2905.60154s) started
T01 >> 1462345599.33646011 Potential matrix (92.75594s) started
T01 << 1462345599.59640098 Potential matrix (93.01588s) stopped
T01 >> 1462345599.59647703 DistributedAtomicCorrection (481.11103s) started
T01 << 1462345600.92957592 DistributedAtomicCorrection (482.44413s) stopped
T01 >> 1462345600.92964101 Distribute overlap matrix (419.01176s) started
T01 >> 1462345600.92966700 blocked summation (397.31535s) started
T01 << 1462345601.99459910 blocked summation (398.38028s) stopped
T01 >> 1462345601.99604893 Scalapack redistribute (21.16431s) started
T01 << 1462345602.05272388 Scalapack redistribute (21.22099s) stopped
T01 << 1462345602.05280399 Distribute overlap matrix (420.13492s) stopped
T01 >> 1462345602.05338693 Blacs Orbital Layouts (996.29902s) started
T01 >> 1462345602.05484700 General diagonalize (976.54845s) started
T01 << 1462345604.76771092 General diagonalize (979.26131s) stopped
T01 >> 1462345604.76777411 Redistribute coefs (1.04861s) started
T01 << 1462345604.77045894 Redistribute coefs (1.05130s) stopped
T01 >> 1462345604.77054191 Send coefs to domains (18.15778s) started
T01 << 1462345604.82151508 Send coefs to domains (18.20875s) stopped
T01 << 1462345604.82186699 Blacs Orbital Layouts (999.06750s) stopped
T01 >> 1462345604.82191706 Calculate projections (916.12135s) started
T01 << 1462345607.34580898 Calculate projections (918.64525s) stopped
T01 << 1462345607.34589100 LCAO eigensolver (2913.61098s) stopped
T01 >> 1462345607.34662008 Density (713.30870s) started
T01 >> 1462345607.34663296 Pseudo density (589.66930s) started
T01 >> 1462345607.34708405 Calculate density matrix (530.30606s) started
T01 << 1462345608.88057494 Calculate density matrix (531.83955s) stopped
T01 >> 1462345608.88066912 Construct density (58.54249s) started
T01 << 1462345609.06135106 Construct density (58.72318s) stopped
T01 >> 1462345609.06280708 Symmetrize density (0.01479s) started
T01 << 1462345609.06283903 Symmetrize density (0.01482s) stopped
T01 << 1462345609.06327796 Pseudo density (591.38595s) stopped
T01 >> 1462345609.06329703 Atomic density matrices (81.78660s) started
T01 << 1462345609.29707289 Atomic density matrices (82.02037s) stopped
T01 >> 1462345609.29711390 Multipole moments (1.32257s) started
T01 << 1462345609.30098510 Multipole moments (1.32644s) stopped
T01 >> 1462345609.30100799 Normalize (0.35985s) started
T01 << 1462345609.30214405 Normalize (0.36099s) stopped
T01 >> 1462345609.30217910 Mix (40.14802s) started
T01 << 1462345609.41565490 Mix (40.26149s) stopped
T01 << 1462345609.41575599 Density (715.37783s) stopped
T01 >> 1462345609.41584611 Hamiltonian (8102.05719s) started
T01 >> 1462345609.41586590 vbar (4.57797s) started
T01 << 1462345609.43164802 vbar (4.59375s) stopped
T01 >> 1462345609.43174195 XC 3D grid (3518.92180s) started
T01 >> 1462345609.60348296 van der Waals (3395.96263s) started
T01 >> 1462345609.64788795 semilocal (768.52302s) started
T01 << 1462345611.83225489 semilocal (770.70739s) stopped
T01 >> 1462345611.86876106 redistribute (379.92435s) started
T01 << 1462345612.29451704 redistribute (380.35011s) stopped
T01 >> 1462345612.29458809 libvdwxc nonlocal (2221.66359s) started
T01 << 1462345619.00438309 libvdwxc nonlocal (2228.37339s) stopped
T01 >> 1462345619.00446200 redistribute (380.35015s) started
T01 << 1462345619.64791012 redistribute (380.99360s) stopped
T01 << 1462345619.64935803 van der Waals (3406.00851s) stopped
T01 << 1462345619.82833791 XC 3D grid (3529.31840s) stopped
T01 >> 1462345619.82838702 Poisson (732.35676s) started
T01 << 1462345622.18736291 Poisson (734.71574s) stopped
T01 >> 1462345622.18743205 Hartree integrate/restrict (27.78504s) started
T01 << 1462345622.20622706 Hartree integrate/restrict (27.80383s) stopped
T01 >> 1462345622.20628190 Hartree integrate/restrict (27.80387s) started
T01 << 1462345622.26864505 Hartree integrate/restrict (27.86623s) stopped
T01 >> 1462345622.28675103 Atomic (2164.51640s) started
T01 >> 1462345622.29717708 XC Correction (2160.10322s) started
T01 << 1462345628.74729705 XC Correction (2166.55334s) stopped
T01 << 1462345628.75039411 Atomic (2170.98004s) stopped
T01 >> 1462345628.75054908 Communicate (1646.49538s) started
T01 << 1462345633.41920805 Communicate (1651.16403s) stopped
T01 << 1462345633.41923809 Hamiltonian (8126.06058s) stopped
T01 >> 1462345633.41933799 LCAO eigensolver (2913.61100s) started
T01 >> 1462345633.41935205 Potential matrix (93.01592s) started
T01 << 1462345633.67948294 Potential matrix (93.27605s) stopped
T01 >> 1462345633.67955709 DistributedAtomicCorrection (482.44417s) started
T01 << 1462345635.01464200 DistributedAtomicCorrection (483.77925s) stopped
T01 >> 1462345635.01471090 Distribute overlap matrix (420.13494s) started
T01 >> 1462345635.01473308 blocked summation (398.38033s) started
T01 << 1462345636.08377910 blocked summation (399.44937s) stopped
T01 >> 1462345636.08524609 Scalapack redistribute (21.22102s) started
T01 << 1462345636.14294791 Scalapack redistribute (21.27873s) stopped
T01 << 1462345636.14302993 Distribute overlap matrix (421.26325s) stopped
T01 >> 1462345636.14360690 Blacs Orbital Layouts (999.06752s) started
T01 >> 1462345636.14573598 General diagonalize (979.26135s) started
T01 << 1462345638.84463406 General diagonalize (981.96025s) stopped
T01 >> 1462345638.84470010 Redistribute coefs (1.05133s) started
T01 << 1462345638.84744096 Redistribute coefs (1.05407s) stopped
T01 >> 1462345638.84752488 Send coefs to domains (18.20879s) started
T01 << 1462345638.89803696 Send coefs to domains (18.25930s) stopped
T01 << 1462345638.89862299 Blacs Orbital Layouts (1001.82253s) stopped
T01 >> 1462345638.89867997 Calculate projections (918.64530s) started
T01 << 1462345641.42257190 Calculate projections (921.16919s) stopped
T01 << 1462345641.42265105 LCAO eigensolver (2921.61431s) stopped
T01 >> 1462345641.42340899 Density (715.37785s) started
T01 >> 1462345641.42342210 Pseudo density (591.38596s) started
T01 >> 1462345641.42386794 Calculate density matrix (531.83959s) started
T01 << 1462345642.94994712 Calculate density matrix (533.36567s) stopped
T01 >> 1462345642.95003700 Construct density (58.72321s) started
T01 << 1462345643.13054109 Construct density (58.90371s) stopped
T01 >> 1462345643.13199806 Symmetrize density (0.01483s) started
T01 << 1462345643.13203096 Symmetrize density (0.01487s) stopped
T01 << 1462345643.13247705 Pseudo density (593.09502s) stopped
T01 >> 1462345643.13249707 Atomic density matrices (82.02040s) started
T01 << 1462345643.36588311 Atomic density matrices (82.25379s) stopped
T01 >> 1462345643.36592388 Multipole moments (1.32645s) started
T01 << 1462345643.36980104 Multipole moments (1.33033s) stopped
T01 >> 1462345643.36982393 Normalize (0.36101s) started
T01 << 1462345643.37093711 Normalize (0.36213s) stopped
T01 >> 1462345643.37097311 Mix (40.26159s) started
T01 << 1462345643.48466802 Mix (40.37528s) stopped
T01 << 1462345643.48474908 Density (717.43919s) stopped
T01 >> 1462345643.48487902 Hamiltonian (8126.06060s) started
T01 >> 1462345643.48489809 vbar (4.59380s) started
T01 << 1462345643.50202489 vbar (4.61093s) stopped
T01 >> 1462345643.50210905 XC 3D grid (3529.31844s) started
T01 >> 1462345643.68193507 van der Waals (3406.00862s) started
T01 >> 1462345643.72612095 semilocal (770.70750s) started
T01 << 1462345645.95214009 semilocal (772.93351s) stopped
T01 >> 1462345645.98330307 redistribute (380.99367s) started
T01 << 1462345646.36000991 redistribute (381.37038s) stopped
T01 >> 1462345646.36008191 libvdwxc nonlocal (2228.37344s) started
T01 << 1462345653.05520892 libvdwxc nonlocal (2235.06856s) stopped
T01 >> 1462345653.05529404 redistribute (381.37042s) started
T01 << 1462345653.70787096 redistribute (382.02299s) stopped
T01 << 1462345653.70938206 van der Waals (3416.03607s) stopped
T01 << 1462345653.88454700 XC 3D grid (3539.70088s) stopped
T01 >> 1462345653.88461399 Poisson (734.71579s) started
T01 << 1462345656.24099803 Poisson (737.07217s) stopped
T01 >> 1462345656.24113703 Hartree integrate/restrict (27.86627s) started
T01 << 1462345656.25982308 Hartree integrate/restrict (27.88496s) stopped
T01 >> 1462345656.25994802 Hartree integrate/restrict (27.88504s) started
T01 << 1462345656.32264209 Hartree integrate/restrict (27.94774s) stopped
T01 >> 1462345656.34546089 Atomic (2170.98006s) started
T01 >> 1462345656.35587907 XC Correction (2166.55336s) started
T01 << 1462345662.82544589 XC Correction (2173.02293s) stopped
T01 << 1462345662.82855392 Atomic (2177.46315s) stopped
T01 >> 1462345662.82871389 Communicate (1651.16405s) started
T01 << 1462345667.43646002 Communicate (1655.77180s) stopped
T01 << 1462345667.43648791 Hamiltonian (8150.01221s) stopped
T01 >> 1462345667.43658209 LCAO eigensolver (2921.61433s) started
T01 >> 1462345667.43659592 Potential matrix (93.27609s) started
T01 << 1462345667.69619393 Potential matrix (93.53569s) stopped
T01 >> 1462345667.69626808 DistributedAtomicCorrection (483.77930s) started
T01 << 1462345669.01781893 DistributedAtomicCorrection (485.10085s) stopped
T01 >> 1462345669.01788306 Distribute overlap matrix (421.26327s) started
T01 >> 1462345669.01790595 blocked summation (399.44941s) started
T01 << 1462345670.08464408 blocked summation (400.51615s) stopped
T01 >> 1462345670.08613491 Scalapack redistribute (21.27876s) started
T01 << 1462345670.14420795 Scalapack redistribute (21.33684s) stopped
T01 << 1462345670.14429092 Distribute overlap matrix (422.38967s) stopped
T01 >> 1462345670.14486504 Blacs Orbital Layouts (1001.82255s) started
T01 >> 1462345670.14620304 General diagonalize (981.96029s) started
T01 << 1462345672.84532595 General diagonalize (984.65941s) stopped
T01 >> 1462345672.84538889 Redistribute coefs (1.05411s) started
T01 << 1462345672.84806991 Redistribute coefs (1.05679s) stopped
T01 >> 1462345672.84815097 Send coefs to domains (18.25934s) started
T01 << 1462345672.89957190 Send coefs to domains (18.31077s) stopped
T01 << 1462345672.89995599 Blacs Orbital Layouts (1004.57765s) stopped
T01 >> 1462345672.90000796 Calculate projections (921.16925s) started
T01 << 1462345675.42376804 Calculate projections (923.69301s) stopped
T01 << 1462345675.42384911 LCAO eigensolver (2929.60159s) stopped
T01 >> 1462345675.42459702 Density (717.43925s) started
T01 >> 1462345675.42460990 Pseudo density (593.09503s) started
T01 >> 1462345675.42506289 Calculate density matrix (533.36571s) started
T01 << 1462345676.95594001 Calculate density matrix (534.89659s) stopped
T01 >> 1462345676.95601392 Construct density (58.90375s) started
T01 << 1462345677.13600898 Construct density (59.08374s) stopped
T01 >> 1462345677.13744593 Symmetrize density (0.01488s) started
T01 << 1462345677.13747907 Symmetrize density (0.01491s) stopped
T01 << 1462345677.13792801 Pseudo density (594.80835s) stopped
T01 >> 1462345677.13794804 Atomic density matrices (82.25382s) started
T01 << 1462345677.37365699 Atomic density matrices (82.48952s) stopped
T01 >> 1462345677.37370110 Multipole moments (1.33035s) started
T01 << 1462345677.37755990 Multipole moments (1.33421s) stopped
T01 >> 1462345677.37758303 Normalize (0.36215s) started
T01 << 1462345677.37869000 Normalize (0.36326s) stopped
T01 >> 1462345677.37872505 Mix (40.37536s) started
T01 << 1462345677.49800205 Mix (40.49464s) stopped
T01 << 1462345677.49811101 Density (719.51276s) stopped
T01 >> 1462345677.49820399 Hamiltonian (8150.01222s) started
T01 >> 1462345677.49822402 vbar (4.61098s) started
T01 << 1462345677.51479602 vbar (4.62755s) stopped
T01 >> 1462345677.51489305 XC 3D grid (3539.70093s) started
T01 >> 1462345677.68897891 van der Waals (3416.03617s) started
T01 >> 1462345677.73392010 semilocal (772.93358s) started
T01 << 1462345679.95088291 semilocal (775.15054s) stopped
T01 >> 1462345679.98552394 redistribute (382.02309s) started
T01 << 1462345680.39057589 redistribute (382.42814s) stopped
T01 >> 1462345680.39064789 libvdwxc nonlocal (2235.06862s) started
T01 << 1462345687.09224200 libvdwxc nonlocal (2241.77022s) stopped
T01 >> 1462345687.09232497 redistribute (382.42818s) started
T01 << 1462345687.74436402 redistribute (383.08021s) stopped
T01 << 1462345687.74594498 van der Waals (3426.09313s) stopped
T01 << 1462345687.92433405 XC 3D grid (3550.11037s) stopped
T01 >> 1462345687.92437911 Poisson (737.07229s) started
T01 << 1462345690.28768492 Poisson (739.43559s) stopped
T01 >> 1462345690.28777003 Hartree integrate/restrict (27.94778s) started
T01 << 1462345690.30669188 Hartree integrate/restrict (27.96671s) stopped
T01 >> 1462345690.30673909 Hartree integrate/restrict (27.96674s) started
T01 << 1462345690.36898994 Hartree integrate/restrict (28.02899s) stopped
T01 >> 1462345690.39272809 Atomic (2177.46317s) started
T01 >> 1462345690.40313792 XC Correction (2173.02295s) started
T01 << 1462345696.91601992 XC Correction (2179.53583s) stopped
T01 << 1462345696.91911197 Atomic (2183.98955s) stopped
T01 >> 1462345696.91926599 Communicate (1655.77182s) started
T01 << 1462345701.56972408 Communicate (1660.42228s) stopped
T01 << 1462345701.56975389 Hamiltonian (8174.08377s) stopped
T01 >> 1462345701.56984901 LCAO eigensolver (2929.60161s) started
T01 >> 1462345701.56986189 Potential matrix (93.53573s) started
T01 << 1462345701.82926106 Potential matrix (93.79513s) stopped
T01 >> 1462345701.82933402 DistributedAtomicCorrection (485.10088s) started
T01 << 1462345703.15496206 DistributedAtomicCorrection (486.42651s) stopped
T01 >> 1462345703.15502501 Distribute overlap matrix (422.38969s) started
T01 >> 1462345703.15504789 blocked summation (400.51620s) started
T01 << 1462345704.22562790 blocked summation (401.58678s) stopped
T01 >> 1462345704.22748995 Scalapack redistribute (21.33687s) started
T01 << 1462345704.28724098 Scalapack redistribute (21.39663s) stopped
T01 << 1462345704.28731990 Distribute overlap matrix (423.52198s) stopped
T01 >> 1462345704.28791094 Blacs Orbital Layouts (1004.57766s) started
T01 >> 1462345704.28906107 General diagonalize (984.65945s) started
T01 << 1462345706.98243499 General diagonalize (987.35282s) stopped
T01 >> 1462345706.98249888 Redistribute coefs (1.05682s) started
T01 << 1462345706.98611999 Redistribute coefs (1.06044s) stopped
T01 >> 1462345706.98616695 Send coefs to domains (18.31081s) started
T01 << 1462345707.03610611 Send coefs to domains (18.36075s) stopped
T01 << 1462345707.03641891 Blacs Orbital Layouts (1007.32617s) stopped
T01 >> 1462345707.03647590 Calculate projections (923.69306s) started
T01 << 1462345709.56025600 Calculate projections (926.21684s) stopped
T01 << 1462345709.56052995 LCAO eigensolver (2937.59229s) stopped
T01 >> 1462345709.56122994 Density (719.51278s) started
T01 >> 1462345709.56124210 Pseudo density (594.80836s) started
T01 >> 1462345709.56169295 Calculate density matrix (534.89663s) started
T01 << 1462345711.10104203 Calculate density matrix (536.43598s) stopped
T01 >> 1462345711.10113096 Construct density (59.08378s) started
T01 << 1462345711.28185296 Construct density (59.26450s) stopped
T01 >> 1462345711.28328800 Symmetrize density (0.01492s) started
T01 << 1462345711.28331995 Symmetrize density (0.01495s) stopped
T01 << 1462345711.28380299 Pseudo density (596.53092s) stopped
T01 >> 1462345711.28382397 Atomic density matrices (82.48956s) started
T01 << 1462345711.51804805 Atomic density matrices (82.72378s) stopped
T01 >> 1462345711.51808810 Multipole moments (1.33422s) started
T01 << 1462345711.52195501 Multipole moments (1.33809s) stopped
T01 >> 1462345711.52197790 Normalize (0.36328s) started
T01 << 1462345711.52310491 Normalize (0.36441s) stopped
T01 >> 1462345711.52314091 Mix (40.49474s) started
T01 << 1462345711.64545107 Mix (40.61705s) stopped
T01 << 1462345711.64555311 Density (721.59710s) stopped
T01 >> 1462345711.64564300 Hamiltonian (8174.08378s) started
T01 >> 1462345711.64566803 vbar (4.62760s) started
T01 << 1462345711.66167808 vbar (4.64361s) stopped
T01 >> 1462345711.66175795 XC 3D grid (3550.11040s) started
T01 >> 1462345711.83261609 van der Waals (3426.09324s) started
T01 >> 1462345711.87666607 semilocal (775.15064s) started
T01 << 1462345714.09606409 semilocal (777.37004s) stopped
T01 >> 1462345714.12998796 redistribute (383.08030s) started
T01 << 1462345714.53070593 redistribute (383.48102s) stopped
T01 >> 1462345714.53077698 libvdwxc nonlocal (2241.77027s) started
T01 << 1462345721.23872805 libvdwxc nonlocal (2248.47822s) stopped
T01 >> 1462345721.23881602 redistribute (383.48106s) started
T01 << 1462345721.89632201 redistribute (384.13856s) stopped
T01 << 1462345721.89752293 van der Waals (3436.15815s) stopped
T01 << 1462345722.07221007 XC 3D grid (3560.52086s) stopped
T01 >> 1462345722.07226300 Poisson (739.43565s) started
T01 << 1462345724.43394399 Poisson (741.79733s) stopped
T01 >> 1462345724.43402600 Hartree integrate/restrict (28.02902s) started
T01 << 1462345724.45319891 Hartree integrate/restrict (28.04819s) stopped
T01 >> 1462345724.45327592 Hartree integrate/restrict (28.04825s) started
T01 << 1462345724.51624703 Hartree integrate/restrict (28.11122s) stopped
T01 >> 1462345724.53770399 Atomic (2183.98957s) started
T01 >> 1462345724.54819608 XC Correction (2179.53586s) started
T01 << 1462345731.06672096 XC Correction (2186.05438s) stopped
T01 << 1462345731.06982303 Atomic (2190.52169s) stopped
T01 >> 1462345731.06997991 Communicate (1660.42230s) started
T01 << 1462345735.83380008 Communicate (1665.18612s) stopped
T01 << 1462345735.83383012 Hamiltonian (8198.27197s) stopped
T01 >> 1462345735.83392906 LCAO eigensolver (2937.59231s) started
T01 >> 1462345735.83394194 Potential matrix (93.79517s) started
T01 << 1462345736.09428501 Potential matrix (94.05551s) stopped
T01 >> 1462345736.09435797 DistributedAtomicCorrection (486.42655s) started
T01 << 1462345737.43325996 DistributedAtomicCorrection (487.76545s) stopped
T01 >> 1462345737.43332505 Distribute overlap matrix (423.52200s) started
T01 >> 1462345737.43334699 blocked summation (401.58682s) started
T01 << 1462345738.49428892 blocked summation (402.64776s) stopped
T01 >> 1462345738.49661493 Scalapack redistribute (21.39666s) started
T01 << 1462345738.55409002 Scalapack redistribute (21.45414s) stopped
T01 << 1462345738.55417109 Distribute overlap matrix (424.64284s) stopped
T01 >> 1462345738.55478597 Blacs Orbital Layouts (1007.32619s) started
T01 >> 1462345738.55614495 General diagonalize (987.35286s) started
T01 << 1462345741.25509000 General diagonalize (990.05181s) stopped
T01 >> 1462345741.25515294 Redistribute coefs (1.06048s) started
T01 << 1462345741.25810099 Redistribute coefs (1.06343s) stopped
T01 >> 1462345741.25815010 Send coefs to domains (18.36079s) started
T01 << 1462345741.30861902 Send coefs to domains (18.41126s) stopped
T01 << 1462345741.30894494 Blacs Orbital Layouts (1010.08035s) stopped
T01 >> 1462345741.30899811 Calculate projections (926.21689s) started
T01 << 1462345743.83272600 Calculate projections (928.74062s) stopped
T01 << 1462345743.83316112 LCAO eigensolver (2945.59154s) stopped
T01 >> 1462345743.83389091 Density (721.59712s) started
T01 >> 1462345743.83390403 Pseudo density (596.53094s) started
T01 >> 1462345743.83435106 Calculate density matrix (536.43602s) started
T01 << 1462345745.37371397 Calculate density matrix (537.97539s) stopped
T01 >> 1462345745.37380290 Construct density (59.26453s) started
T01 << 1462345745.55421996 Construct density (59.44495s) stopped
T01 >> 1462345745.55565596 Symmetrize density (0.01500s) started
T01 << 1462345745.55569100 Symmetrize density (0.01503s) stopped
T01 << 1462345745.55613089 Pseudo density (598.25317s) stopped
T01 >> 1462345745.55614996 Atomic density matrices (82.72381s) started
T01 << 1462345745.79081106 Atomic density matrices (82.95847s) stopped
T01 >> 1462345745.79085207 Multipole moments (1.33810s) started
T01 << 1462345745.79473591 Multipole moments (1.34199s) stopped
T01 >> 1462345745.79475808 Normalize (0.36444s) started
T01 << 1462345745.79586601 Normalize (0.36554s) stopped
T01 >> 1462345745.79590201 Mix (40.61715s) started
T01 << 1462345745.91473103 Mix (40.73598s) stopped
T01 << 1462345745.91483092 Density (723.67806s) stopped
T01 >> 1462345745.91491795 Hamiltonian (8198.27198s) started
T01 >> 1462345745.91493511 vbar (4.64366s) started
T01 << 1462345745.93198109 vbar (4.66070s) stopped
T01 >> 1462345745.93208408 XC 3D grid (3560.52090s) started
T01 >> 1462345746.11018896 van der Waals (3436.15823s) started
T01 >> 1462345746.15512609 semilocal (777.37013s) started
T01 << 1462345748.38139701 semilocal (779.59640s) stopped
T01 >> 1462345748.41385603 redistribute (384.13863s) started
T01 << 1462345748.80478001 redistribute (384.52956s) stopped
T01 >> 1462345748.80485201 libvdwxc nonlocal (2248.47828s) started
T01 << 1462345755.50855398 libvdwxc nonlocal (2255.18198s) stopped
T01 >> 1462345755.50863004 redistribute (384.52960s) started
T01 << 1462345756.16200709 redistribute (385.18297s) stopped
T01 << 1462345756.16349196 van der Waals (3446.21154s) stopped
T01 << 1462345756.34076500 XC 3D grid (3570.92958s) stopped
T01 >> 1462345756.34080911 Poisson (741.79740s) started
T01 << 1462345758.70810294 Poisson (744.16469s) stopped
T01 >> 1462345758.70817900 Hartree integrate/restrict (28.11126s) started
T01 << 1462345758.72718596 Hartree integrate/restrict (28.13027s) stopped
T01 >> 1462345758.72723889 Hartree integrate/restrict (28.13030s) started
T01 << 1462345758.78939009 Hartree integrate/restrict (28.19245s) stopped
T01 >> 1462345758.80663610 Atomic (2190.52171s) started
T01 >> 1462345758.81718111 XC Correction (2186.05441s) started
T01 << 1462345765.33622789 XC Correction (2192.57345s) stopped
T01 << 1462345765.33933806 Atomic (2197.05441s) stopped
T01 >> 1462345765.33949304 Communicate (1665.18614s) started
T01 << 1462345770.02633309 Communicate (1669.87298s) stopped
T01 << 1462345770.02636194 Hamiltonian (8222.38342s) stopped
T01 >> 1462345770.02646208 LCAO eigensolver (2945.59156s) started
T01 >> 1462345770.02647495 Potential matrix (94.05555s) started
T01 << 1462345770.28512692 Potential matrix (94.31420s) stopped
T01 >> 1462345770.28520012 DistributedAtomicCorrection (487.76549s) started
T01 << 1462345771.62229800 DistributedAtomicCorrection (489.10259s) stopped
T01 >> 1462345771.62236190 Distribute overlap matrix (424.64285s) started
T01 >> 1462345771.62238598 blocked summation (402.64780s) started
T01 << 1462345772.67696190 blocked summation (403.70237s) stopped
T01 >> 1462345772.67852807 Scalapack redistribute (21.45417s) started
T01 << 1462345772.73812509 Scalapack redistribute (21.51377s) stopped
T01 << 1462345772.73820806 Distribute overlap matrix (425.75870s) stopped
T01 >> 1462345772.73880911 Blacs Orbital Layouts (1010.08037s) started
T01 >> 1462345772.74038792 General diagonalize (990.05185s) started
T01 << 1462345775.44741106 General diagonalize (992.75887s) stopped
T01 >> 1462345775.44747400 Redistribute coefs (1.06347s) started
T01 << 1462345775.45046806 Redistribute coefs (1.06646s) stopped
T01 >> 1462345775.45051503 Send coefs to domains (18.41130s) started
T01 << 1462345775.50193310 Send coefs to domains (18.46272s) stopped
T01 << 1462345775.50242996 Blacs Orbital Layouts (1012.84399s) stopped
T01 >> 1462345775.50248408 Calculate projections (928.74067s) started
T01 << 1462345778.02654004 Calculate projections (931.26473s) stopped
T01 << 1462345778.02681494 LCAO eigensolver (2953.59191s) stopped
T01 >> 1462345778.02757406 Density (723.67808s) started
T01 >> 1462345778.02758694 Pseudo density (598.25318s) started
T01 >> 1462345778.02803898 Calculate density matrix (537.97543s) started
T01 << 1462345779.56893992 Calculate density matrix (539.51633s) stopped
T01 >> 1462345779.56902695 Construct density (59.44499s) started
T01 << 1462345779.74901605 Construct density (59.62498s) stopped
T01 >> 1462345779.75044298 Symmetrize density (0.01504s) started
T01 << 1462345779.75047588 Symmetrize density (0.01508s) stopped
T01 << 1462345779.75092912 Pseudo density (599.97652s) stopped
T01 >> 1462345779.75094795 Atomic density matrices (82.95850s) started
T01 << 1462345779.98607111 Atomic density matrices (83.19362s) stopped
T01 >> 1462345779.98611093 Multipole moments (1.34200s) started
T01 << 1462345779.99005389 Multipole moments (1.34594s) stopped
T01 >> 1462345779.99007702 Normalize (0.36557s) started
T01 << 1462345779.99120688 Normalize (0.36670s) stopped
T01 >> 1462345779.99124408 Mix (40.73608s) started
T01 << 1462345780.11005712 Mix (40.85489s) stopped
T01 << 1462345780.11010194 Density (725.76060s) stopped
T01 >> 1462345780.11017609 Hamiltonian (8222.38344s) started
T01 >> 1462345780.11019492 vbar (4.66076s) started
T01 << 1462345780.12672496 vbar (4.67729s) stopped
T01 >> 1462345780.12682390 XC 3D grid (3570.92961s) started
T01 >> 1462345780.30140090 van der Waals (3446.21164s) started
T01 >> 1462345780.34665704 semilocal (779.59650s) started
T01 << 1462345782.55014205 semilocal (781.79998s) stopped
T01 >> 1462345782.58540201 redistribute (385.18306s) started
T01 << 1462345783.00168896 redistribute (385.59935s) stopped
T01 >> 1462345783.00175810 libvdwxc nonlocal (2255.18203s) started
T01 << 1462345789.70712805 libvdwxc nonlocal (2261.88740s) stopped
T01 >> 1462345789.70721507 redistribute (385.59939s) started
T01 << 1462345790.35492110 redistribute (386.24709s) stopped
T01 << 1462345790.35646296 van der Waals (3456.26671s) stopped
T01 << 1462345790.53135109 XC 3D grid (3581.33414s) stopped
T01 >> 1462345790.53140998 Poisson (744.16475s) started
T01 << 1462345792.31142211 Poisson (745.94476s) stopped
T01 >> 1462345792.31152201 Hartree integrate/restrict (28.19250s) started
T01 << 1462345792.33017802 Hartree integrate/restrict (28.21116s) stopped
T01 >> 1462345792.33032203 Hartree integrate/restrict (28.21126s) started
T01 << 1462345792.39282107 Hartree integrate/restrict (28.27376s) stopped
T01 >> 1462345792.41272712 Atomic (2197.05443s) started
T01 >> 1462345792.42321801 XC Correction (2192.57348s) started
T01 << 1462345798.97191405 XC Correction (2199.12217s) stopped
T01 << 1462345798.97503209 Atomic (2203.61673s) stopped
T01 >> 1462345798.97519112 Communicate (1669.87300s) started
T01 << 1462345803.62169003 Communicate (1674.51950s) stopped
T01 << 1462345803.62172008 Hamiltonian (8245.89498s) stopped
T01 >> 1462345803.62182403 LCAO eigensolver (2953.59196s) started
T01 >> 1462345803.62183905 Potential matrix (94.31424s) started
T01 << 1462345803.88248610 Potential matrix (94.57489s) stopped
T01 >> 1462345803.88256001 DistributedAtomicCorrection (489.10263s) started
T01 << 1462345805.21104407 DistributedAtomicCorrection (490.43111s) stopped
T01 >> 1462345805.21111012 Distribute overlap matrix (425.75871s) started
T01 >> 1462345805.21113205 blocked summation (403.70241s) started
T01 << 1462345806.27312708 blocked summation (404.76441s) stopped
T01 >> 1462345806.27489901 Scalapack redistribute (21.51381s) started
T01 << 1462345806.33369899 Scalapack redistribute (21.57261s) stopped
T01 << 1462345806.33378100 Distribute overlap matrix (426.88138s) stopped
T01 >> 1462345806.33437610 Blacs Orbital Layouts (1012.84401s) started
T01 >> 1462345806.33551908 General diagonalize (992.75891s) started
T01 << 1462345809.03285193 General diagonalize (995.45624s) stopped
T01 >> 1462345809.03291512 Redistribute coefs (1.06650s) started
T01 << 1462345809.03560400 Redistribute coefs (1.06919s) stopped
T01 >> 1462345809.03564906 Send coefs to domains (18.46276s) started
T01 << 1462345809.08647203 Send coefs to domains (18.51358s) stopped
T01 << 1462345809.08680201 Blacs Orbital Layouts (1015.59643s) stopped
T01 >> 1462345809.08685493 Calculate projections (931.26478s) started
T01 << 1462345811.61052704 Calculate projections (933.78846s) stopped
T01 << 1462345811.61080909 LCAO eigensolver (2961.58095s) stopped
T01 >> 1462345811.61152601 Density (725.76062s) started
T01 >> 1462345811.61153889 Pseudo density (599.97654s) started
T01 >> 1462345811.61198497 Calculate density matrix (539.51637s) started
T01 << 1462345813.15012598 Calculate density matrix (541.05451s) stopped
T01 >> 1462345813.15021205 Construct density (59.62501s) started
T01 << 1462345813.33116603 Construct density (59.80597s) stopped
T01 >> 1462345813.33260202 Symmetrize density (0.01509s) started
T01 << 1462345813.33263397 Symmetrize density (0.01512s) stopped
T01 << 1462345813.33307791 Pseudo density (601.69808s) stopped
T01 >> 1462345813.33309698 Atomic density matrices (83.19365s) started
T01 << 1462345813.56720495 Atomic density matrices (83.42775s) stopped
T01 >> 1462345813.56724596 Multipole moments (1.34596s) started
T01 << 1462345813.57115793 Multipole moments (1.34987s) stopped
T01 >> 1462345813.57118106 Normalize (0.36673s) started
T01 << 1462345813.57228494 Normalize (0.36783s) stopped
T01 >> 1462345813.57232094 Mix (40.85493s) started
T01 << 1462345813.69288397 Mix (40.97550s) stopped
T01 << 1462345813.69293404 Density (727.84203s) stopped
T01 >> 1462345813.69301891 Hamiltonian (8245.89499s) started
T01 >> 1462345813.69303799 vbar (4.67735s) started
T01 << 1462345813.70929909 vbar (4.69361s) stopped
T01 >> 1462345813.70936489 XC 3D grid (3581.33418s) started
T01 >> 1462345813.88101912 van der Waals (3456.26683s) started
T01 >> 1462345813.92506790 semilocal (781.80013s) started
T01 << 1462345816.12160897 semilocal (783.99667s) stopped
T01 >> 1462345816.15580606 redistribute (386.24719s) started
T01 << 1462345816.57376409 redistribute (386.66515s) stopped
T01 >> 1462345816.57383609 libvdwxc nonlocal (2261.88746s) started
T01 << 1462345823.26992702 libvdwxc nonlocal (2268.58355s) stopped
T01 >> 1462345823.26998711 redistribute (386.66518s) started
T01 << 1462345823.91061306 redistribute (387.30581s) stopped
T01 << 1462345823.91190696 van der Waals (3466.29772s) stopped
T01 << 1462345824.09137392 XC 3D grid (3591.71619s) stopped
T01 >> 1462345824.09141898 Poisson (745.94483s) started
T01 << 1462345825.86803699 Poisson (747.72145s) stopped
T01 >> 1462345825.86811399 Hartree integrate/restrict (28.27381s) started
T01 << 1462345825.88677907 Hartree integrate/restrict (28.29248s) stopped
T01 >> 1462345825.88686705 Hartree integrate/restrict (28.29254s) started
T01 << 1462345825.94950008 Hartree integrate/restrict (28.35517s) stopped
T01 >> 1462345825.96718001 Atomic (2203.61675s) started
T01 >> 1462345825.97787595 XC Correction (2199.12220s) started
T01 << 1462345832.51678801 XC Correction (2205.66111s) stopped
T01 << 1462345832.51992297 Atomic (2210.16949s) stopped
T01 >> 1462345832.52008104 Communicate (1674.51952s) started
T01 << 1462345837.14825201 Communicate (1679.14769s) stopped
T01 << 1462345837.14827895 Hamiltonian (8269.35025s) stopped
T01 >> 1462345837.14837289 LCAO eigensolver (2961.58097s) started
T01 >> 1462345837.14838696 Potential matrix (94.57493s) started
T01 << 1462345837.40958190 Potential matrix (94.83612s) stopped
T01 >> 1462345837.40965700 DistributedAtomicCorrection (490.43115s) started
T01 << 1462345838.75094509 DistributedAtomicCorrection (491.77244s) stopped
T01 >> 1462345838.75100899 Distribute overlap matrix (426.88140s) started
T01 >> 1462345838.75103211 blocked summation (404.76445s) started
T01 << 1462345839.79005289 blocked summation (405.80347s) stopped
T01 >> 1462345839.79238701 Scalapack redistribute (21.57264s) started
T01 << 1462345839.85046005 Scalapack redistribute (21.63071s) stopped
T01 << 1462345839.85054111 Distribute overlap matrix (427.98093s) stopped
T01 >> 1462345839.85114002 Blacs Orbital Layouts (1015.59645s) started
T01 >> 1462345839.85231400 General diagonalize (995.45628s) started
T01 << 1462345842.55266905 General diagonalize (998.15664s) stopped
T01 >> 1462345842.55273104 Redistribute coefs (1.06922s) started
T01 << 1462345842.55536008 Redistribute coefs (1.07185s) stopped
T01 >> 1462345842.55544090 Send coefs to domains (18.51363s) started
T01 << 1462345842.60756993 Send coefs to domains (18.56575s) stopped
T01 << 1462345842.60787511 Blacs Orbital Layouts (1018.35319s) stopped
T01 >> 1462345842.60792708 Calculate projections (933.78851s) started
T01 << 1462345845.13188601 Calculate projections (936.31247s) stopped
T01 << 1462345845.13232493 LCAO eigensolver (2969.56492s) stopped
T01 >> 1462345845.13304901 Density (727.84204s) started
T01 >> 1462345845.13306093 Pseudo density (601.69809s) started
T01 >> 1462345845.13350296 Calculate density matrix (541.05455s) started
T01 << 1462345846.66876602 Calculate density matrix (542.58982s) stopped
T01 >> 1462345846.66885495 Construct density (59.80600s) started
T01 << 1462345846.84927511 Construct density (59.98642s) stopped
T01 >> 1462345846.85074592 Symmetrize density (0.01513s) started
T01 << 1462345846.85077810 Symmetrize density (0.01516s) stopped
T01 << 1462345846.85121989 Pseudo density (603.41625s) stopped
T01 >> 1462345846.85123897 Atomic density matrices (83.42778s) started
T01 << 1462345847.08614492 Atomic density matrices (83.66269s) stopped
T01 >> 1462345847.08618593 Multipole moments (1.34989s) started
T01 << 1462345847.09011793 Multipole moments (1.35382s) stopped
T01 >> 1462345847.09014010 Normalize (0.36786s) started
T01 << 1462345847.09126401 Normalize (0.36898s) stopped
T01 >> 1462345847.09129810 Mix (40.97554s) started
T01 << 1462345847.20986700 Mix (41.09411s) stopped
T01 << 1462345847.20995998 Density (729.91895s) stopped
T01 >> 1462345847.21004510 Hamiltonian (8269.35027s) started
T01 >> 1462345847.21006393 vbar (4.69365s) started
T01 << 1462345847.22679210 vbar (4.71038s) stopped
T01 >> 1462345847.22693110 XC 3D grid (3591.71623s) started
T01 >> 1462345847.40065503 van der Waals (3466.29779s) started
T01 >> 1462345847.44609094 semilocal (783.99679s) started
T01 << 1462345849.66775990 semilocal (786.21846s) stopped
T01 >> 1462345849.70053005 redistribute (387.30586s) started
T01 << 1462345850.09004688 redistribute (387.69538s) stopped
T01 >> 1462345850.09011793 libvdwxc nonlocal (2268.58359s) started
T01 << 1462345856.77324200 libvdwxc nonlocal (2275.26671s) stopped
T01 >> 1462345856.77332592 redistribute (387.69542s) started
T01 << 1462345857.42304993 redistribute (388.34514s) stopped
T01 << 1462345857.42459702 van der Waals (3476.32173s) stopped
T01 << 1462345857.59962797 XC 3D grid (3602.08893s) stopped
T01 >> 1462345857.59967709 Poisson (747.72150s) started
T01 << 1462345859.38048291 Poisson (749.50231s) stopped
T01 >> 1462345859.38057208 Hartree integrate/restrict (28.35520s) started
T01 << 1462345859.39966297 Hartree integrate/restrict (28.37430s) stopped
T01 >> 1462345859.39973903 Hartree integrate/restrict (28.37435s) started
T01 << 1462345859.46209598 Hartree integrate/restrict (28.43671s) stopped
T01 >> 1462345859.48456693 Atomic (2210.16951s) started
T01 >> 1462345859.49522710 XC Correction (2205.66113s) started
T01 << 1462345866.05580401 XC Correction (2212.22171s) stopped
T01 << 1462345866.05893898 Atomic (2216.74388s) stopped
T01 >> 1462345866.05909705 Communicate (1679.14771s) started
T01 << 1462345870.71629095 Communicate (1683.80490s) stopped
T01 << 1462345870.71632004 Hamiltonian (8292.85654s) stopped
T01 >> 1462345870.71641707 LCAO eigensolver (2969.56494s) started
T01 >> 1462345870.71643090 Potential matrix (94.83616s) started
T01 << 1462345870.97655010 Potential matrix (95.09628s) stopped
T01 >> 1462345870.97662401 DistributedAtomicCorrection (491.77247s) started
T01 << 1462345872.32481599 DistributedAtomicCorrection (493.12066s) stopped
T01 >> 1462345872.32487893 Distribute overlap matrix (427.98094s) started
T01 >> 1462345872.32490206 blocked summation (405.80351s) started
T01 << 1462345873.38614011 blocked summation (406.86474s) stopped
T01 >> 1462345873.38793802 Scalapack redistribute (21.63075s) started
T01 << 1462345873.44786692 Scalapack redistribute (21.69068s) stopped
T01 << 1462345873.44794893 Distribute overlap matrix (429.10401s) stopped
T01 >> 1462345873.44853592 Blacs Orbital Layouts (1018.35320s) started
T01 >> 1462345873.45010996 General diagonalize (998.15667s) started
T01 << 1462345876.13358688 General diagonalize (1000.84015s) stopped
T01 >> 1462345876.13364911 Redistribute coefs (1.07188s) started
T01 << 1462345876.13635111 Redistribute coefs (1.07459s) stopped
T01 >> 1462345876.13643408 Send coefs to domains (18.56579s) started
T01 << 1462345876.18678188 Send coefs to domains (18.61614s) stopped
T01 << 1462345876.18728709 Blacs Orbital Layouts (1021.09196s) stopped
T01 >> 1462345876.18734288 Calculate projections (936.31252s) started
T01 << 1462345878.71098900 Calculate projections (938.83617s) stopped
T01 << 1462345878.71126699 LCAO eigensolver (2977.55979s) stopped
T01 >> 1462345878.71199608 Density (729.91897s) started
T01 >> 1462345878.71200991 Pseudo density (603.41626s) started
T01 >> 1462345878.71244788 Calculate density matrix (542.58986s) started
T01 << 1462345880.24521899 Calculate density matrix (544.12263s) stopped
T01 >> 1462345880.24531007 Construct density (59.98645s) started
T01 << 1462345880.42521811 Construct density (60.16636s) stopped
T01 >> 1462345880.42664695 Symmetrize density (0.01518s) started
T01 << 1462345880.42668200 Symmetrize density (0.01521s) stopped
T01 << 1462345880.42712092 Pseudo density (605.13137s) stopped
T01 >> 1462345880.42714190 Atomic density matrices (83.66272s) started
T01 << 1462345880.66138291 Atomic density matrices (83.89696s) stopped
T01 >> 1462345880.66142297 Multipole moments (1.35383s) started
T01 << 1462345880.66537499 Multipole moments (1.35779s) stopped
T01 >> 1462345880.66539693 Normalize (0.36900s) started
T01 << 1462345880.66650701 Normalize (0.37011s) stopped
T01 >> 1462345880.66654396 Mix (41.09420s) started
T01 << 1462345880.78616500 Mix (41.21382s) stopped
T01 << 1462345880.78622293 Density (731.99319s) stopped
T01 >> 1462345880.78630209 Hamiltonian (8292.85655s) started
T01 >> 1462345880.78632212 vbar (4.71046s) started
T01 << 1462345880.80278206 vbar (4.72692s) stopped
T01 >> 1462345880.80284405 XC 3D grid (3602.08896s) started
T01 >> 1462345880.97699094 van der Waals (3476.32184s) started
T01 >> 1462345881.02228498 semilocal (786.21856s) started
T01 << 1462345883.24629498 semilocal (788.44257s) stopped
T01 >> 1462345883.28021598 redistribute (388.34524s) started
T01 << 1462345883.67813611 redistribute (388.74316s) stopped
T01 >> 1462345883.67820811 libvdwxc nonlocal (2275.26677s) started
T01 << 1462345890.38688707 libvdwxc nonlocal (2281.97545s) stopped
T01 >> 1462345890.38697505 redistribute (388.74320s) started
T01 << 1462345891.03374100 redistribute (389.38996s) stopped
T01 << 1462345891.03499293 van der Waals (3486.37984s) stopped
T01 << 1462345891.21461391 XC 3D grid (3612.50073s) stopped
T01 >> 1462345891.21467590 Poisson (749.50238s) started
T01 << 1462345892.99781203 Poisson (751.28552s) stopped
T01 >> 1462345892.99790812 Hartree integrate/restrict (28.43676s) started
T01 << 1462345893.01670694 Hartree integrate/restrict (28.45556s) stopped
T01 >> 1462345893.01685309 Hartree integrate/restrict (28.45566s) started
T01 << 1462345893.07942700 Hartree integrate/restrict (28.51823s) stopped
T01 >> 1462345893.10173512 Atomic (2216.74390s) started
T01 >> 1462345893.11238098 XC Correction (2212.22174s) started
T01 << 1462345899.64226294 XC Correction (2218.75162s) stopped
T01 << 1462345899.64540792 Atomic (2223.28757s) stopped
T01 >> 1462345899.64556193 Communicate (1683.80492s) started
T01 << 1462345904.37259293 Communicate (1688.53195s) stopped
T01 << 1462345904.37262297 Hamiltonian (8316.44287s) stopped
T01 >> 1462345904.37272692 LCAO eigensolver (2977.55980s) started
T01 >> 1462345904.37274098 Potential matrix (95.09632s) started
T01 << 1462345904.63232207 Potential matrix (95.35590s) stopped
T01 >> 1462345904.63239503 DistributedAtomicCorrection (493.12070s) started
T01 << 1462345905.97428489 DistributedAtomicCorrection (494.46259s) stopped
T01 >> 1462345905.97438312 Distribute overlap matrix (429.10402s) started
T01 >> 1462345905.97440696 blocked summation (406.86478s) started
T01 << 1462345907.03563905 blocked summation (407.92601s) stopped
T01 >> 1462345907.03711200 Scalapack redistribute (21.69071s) started
T01 << 1462345907.09560800 Scalapack redistribute (21.74921s) stopped
T01 << 1462345907.09569502 Distribute overlap matrix (430.22533s) stopped
T01 >> 1462345907.09626007 Blacs Orbital Layouts (1021.09197s) started
T01 >> 1462345907.09740400 General diagonalize (1000.84019s) started
T01 << 1462345909.80660796 General diagonalize (1003.54939s) stopped
T01 >> 1462345909.80667305 Redistribute coefs (1.07462s) started
T01 << 1462345909.81037092 Redistribute coefs (1.07832s) stopped
T01 >> 1462345909.81041908 Send coefs to domains (18.61619s) started
T01 << 1462345909.86109805 Send coefs to domains (18.66686s) stopped
T01 << 1462345909.86141992 Blacs Orbital Layouts (1023.85713s) stopped
T01 >> 1462345909.86147690 Calculate projections (938.83622s) started
T01 << 1462345912.38535810 Calculate projections (941.36010s) stopped
T01 << 1462345912.38544297 LCAO eigensolver (2985.57252s) stopped
T01 >> 1462345912.38619900 Density (731.99321s) started
T01 >> 1462345912.38621211 Pseudo density (605.13139s) started
T01 >> 1462345912.38665700 Calculate density matrix (544.12267s) started
T01 << 1462345913.92403507 Calculate density matrix (545.66005s) stopped
T01 >> 1462345913.92412400 Construct density (60.16640s) started
T01 << 1462345914.10512209 Construct density (60.34739s) stopped
T01 >> 1462345914.10657001 Symmetrize density (0.01522s) started
T01 << 1462345914.10660291 Symmetrize density (0.01526s) stopped
T01 << 1462345914.10704994 Pseudo density (606.85222s) stopped
T01 >> 1462345914.10706997 Atomic density matrices (83.89699s) started
T01 << 1462345914.34144711 Atomic density matrices (84.13136s) stopped
T01 >> 1462345914.34148788 Multipole moments (1.35780s) started
T01 << 1462345914.34548211 Multipole moments (1.36179s) stopped
T01 >> 1462345914.34550500 Normalize (0.37014s) started
T01 << 1462345914.34660912 Normalize (0.37125s) stopped
T01 >> 1462345914.34664392 Mix (41.21388s) started
T01 << 1462345914.46743798 Mix (41.33468s) stopped
T01 << 1462345914.46753693 Density (734.07454s) stopped
T01 >> 1462345914.46762609 Hamiltonian (8316.44289s) started
T01 >> 1462345914.46764493 vbar (4.72695s) started
T01 << 1462345914.48392010 vbar (4.74323s) stopped
T01 >> 1462345914.48404598 XC 3D grid (3612.50078s) started
T01 >> 1462345914.65685391 van der Waals (3486.37990s) started
T01 >> 1462345914.70118999 semilocal (788.44272s) started
T01 << 1462345916.91521692 semilocal (790.65675s) stopped
T01 >> 1462345916.94967198 redistribute (389.39002s) started
T01 << 1462345917.34932089 redistribute (389.78967s) stopped
T01 >> 1462345917.34939098 libvdwxc nonlocal (2281.97551s) started
T01 << 1462345924.04582810 libvdwxc nonlocal (2288.67194s) stopped
T01 >> 1462345924.04589891 redistribute (389.78970s) started
T01 << 1462345924.70947194 redistribute (390.45328s) stopped
T01 << 1462345924.71078300 van der Waals (3496.43383s) stopped
T01 << 1462345924.88479710 XC 3D grid (3622.90154s) stopped
T01 >> 1462345924.88484812 Poisson (751.28559s) started
T01 << 1462345926.08573008 Poisson (752.48647s) stopped
T01 >> 1462345926.08580303 Hartree integrate/restrict (28.51827s) started
T01 << 1462345926.10494089 Hartree integrate/restrict (28.53741s) stopped
T01 >> 1462345926.10499907 Hartree integrate/restrict (28.53745s) started
T01 << 1462345926.16764307 Hartree integrate/restrict (28.60009s) stopped
T01 >> 1462345926.18902111 Atomic (2223.28759s) started
T01 >> 1462345926.19974709 XC Correction (2218.75164s) started
T01 << 1462345932.73465395 XC Correction (2225.28655s) stopped
T01 << 1462345932.73779702 Atomic (2229.83637s) stopped
T01 >> 1462345932.73795390 Communicate (1688.53197s) started
T01 << 1462345937.38190103 Communicate (1693.17592s) stopped
T01 << 1462345937.38192892 Hamiltonian (8339.35719s) stopped
T01 >> 1462345937.38202405 LCAO eigensolver (2985.57253s) started
T01 >> 1462345937.38203907 Potential matrix (95.35594s) started
T01 << 1462345937.64290404 Potential matrix (95.61681s) stopped
T01 >> 1462345937.64297891 DistributedAtomicCorrection (494.46266s) started
T01 << 1462345938.99491310 DistributedAtomicCorrection (495.81460s) stopped
T01 >> 1462345938.99497604 Distribute overlap matrix (430.22535s) started
T01 >> 1462345938.99499798 blocked summation (407.92606s) started
T01 << 1462345940.02816105 blocked summation (408.95922s) stopped
T01 >> 1462345940.03048491 Scalapack redistribute (21.74925s) started
T01 << 1462345940.08958411 Scalapack redistribute (21.80834s) stopped
T01 << 1462345940.08967090 Distribute overlap matrix (431.32004s) stopped
T01 >> 1462345940.09025908 Blacs Orbital Layouts (1023.85715s) started
T01 >> 1462345940.09156108 General diagonalize (1003.54943s) started
T01 << 1462345942.79018593 General diagonalize (1006.24805s) stopped
T01 >> 1462345942.79024911 Redistribute coefs (1.07836s) started
T01 << 1462345942.79332399 Redistribute coefs (1.08143s) stopped
T01 >> 1462345942.79336905 Send coefs to domains (18.66691s) started
T01 << 1462345942.84329700 Send coefs to domains (18.71683s) stopped
T01 << 1462345942.84359097 Blacs Orbital Layouts (1026.61048s) stopped
T01 >> 1462345942.84364605 Calculate projections (941.36016s) started
T01 << 1462345945.36739612 Calculate projections (943.88391s) stopped
T01 << 1462345945.36783504 LCAO eigensolver (2993.55834s) stopped
T01 << 1462345945.36855888 SCF-cycle (12067.29497s) stopped
T01 >> 1462345946.21232009 Force calculation (532.56759s) started
T01 >> 1462345946.21237707 LCAO forces (338.72854s) started
T01 >> 1462345946.21273899 Initial (0.00040s) started
T01 << 1462345946.21274996 Initial (0.00041s) stopped
T01 >> 1462345946.21697593 Get density matrix (65.59946s) started
T01 << 1462345946.81955600 Get density matrix (66.20204s) stopped
T01 >> 1462345946.81962299 Potential (24.32500s) started
T01 << 1462345948.19709802 Potential (25.70247s) stopped
T01 >> 1462345948.19716311 Get density matrix (66.20208s) started
T01 << 1462345951.41413593 Get density matrix (69.41905s) stopped
T01 >> 1462345951.41426110 Prepare TCI loop (33.95676s) started
T01 >> 1462345951.41473603 Get neighbors (30.13276s) started
T01 << 1462345953.26046300 Get neighbors (31.97848s) stopped
T01 >> 1462345953.26069403 broadcast dH (3.81187s) started
T01 << 1462345953.33821392 broadcast dH (3.88939s) stopped
T01 << 1462345953.33825898 Prepare TCI loop (35.88076s) stopped
T01 >> 1462345953.33827710 Not so complicated loop (47.52814s) started
T01 << 1462345956.04763794 Not so complicated loop (50.23750s) stopped
T01 >> 1462345956.17704892 Complicated loop (165.01267s) started
T01 << 1462345965.65551710 Complicated loop (174.49113s) stopped
T01 >> 1462345965.66959405 Wait for sum (0.00098s) started
T01 << 1462345965.66964006 Wait for sum (0.00103s) stopped
T01 << 1462345965.66965294 LCAO forces (358.18581s) stopped
T01 << 1462345977.65223408 Force calculation (564.00751s) stopped
T01 >> 1462345977.66998291 Initialization (945.71767s) started
T01 << 1462345977.67017102 Initialization (945.71786s) stopped
T01 >> 1462345977.67040801 Initialization (945.71788s) started
T01 << 1462345977.67053699 Initialization (945.71800s) stopped
T01 >> 1462345977.67067504 Initialization (945.71802s) started
T01 << 1462345977.67080402 Initialization (945.71815s) stopped
T01 >> 1462345998.04281211 Initialization (945.71817s) started
T01 >> 1462345998.04691601 Basic WFS set positions (1.81367s) started
T01 >> 1462345998.04693890 Redistribute (0.03753s) started
T01 << 1462345998.04707289 Redistribute (0.03766s) stopped
T01 << 1462345998.14684200 Basic WFS set positions (1.91359s) stopped
T01 >> 1462345998.14687395 Basis functions set positions (7.95569s) started
T01 << 1462345998.54876399 Basis functions set positions (8.35758s) stopped
T01 >> 1462345998.55010104 TCI: Calculate S, T, P (281.49045s) started
T01 << 1462346013.77659392 TCI: Calculate S, T, P (296.71694s) stopped
T01 >> 1462346013.77670193 blocked summation (75.73763s) started
T01 << 1462346017.29193807 blocked summation (79.25286s) stopped
T01 >> 1462346017.29328203 Scalapack redistribute (4.14131s) started
T01 << 1462346017.35173512 Scalapack redistribute (4.19976s) stopped
T01 >> 1462346017.35210490 blocked summation (79.25297s) started
T01 << 1462346017.51397610 blocked summation (79.41484s) stopped
T01 >> 1462346017.51569200 Scalapack redistribute (4.19980s) started
T01 << 1462346017.71236300 Scalapack redistribute (4.39647s) stopped
T01 >> 1462346017.71385789 Redistribute (0.03625s) started
T01 << 1462346017.71485591 Redistribute (0.03725s) stopped
T01 >> 1462346018.61674404 Redistribute (0.03727s) started
T01 << 1462346018.61783910 Redistribute (0.03836s) stopped
T01 >> 1462346018.62849212 LCAO WFS Initialize (553.85390s) started
T01 >> 1462346018.62852001 Density initialize from wavefunctions (21.70200s) started
T01 >> 1462346018.62894106 Calculate density matrix (12.63240s) started
T01 << 1462346019.33630300 Calculate density matrix (13.33976s) stopped
T01 >> 1462346019.33636689 Construct density (3.07056s) started
T01 << 1462346019.51222610 Construct density (3.24642s) stopped
T01 >> 1462346019.51382589 Symmetrize density (0.00076s) started
T01 << 1462346019.51385903 Symmetrize density (0.00079s) stopped
T01 << 1462346019.85142994 Density initialize from wavefunctions (22.92491s) stopped
T01 >> 1462346019.85204601 Hamiltonian (531.94627s) started
T01 >> 1462346019.85207391 vbar (0.25918s) started
T01 << 1462346019.86782598 vbar (0.27493s) stopped
T01 >> 1462346019.86792111 XC 3D grid (194.04210s) started
T01 >> 1462346020.03929710 van der Waals (187.28120s) started
T01 >> 1462346020.08281898 semilocal (42.17904s) started
T01 << 1462346022.27029800 semilocal (44.36652s) stopped
T01 >> 1462346022.30644608 redistribute (20.82277s) started
T01 << 1462346022.72286391 redistribute (21.23918s) stopped
T01 >> 1462346022.72291493 libvdwxc nonlocal (122.85954s) started
T01 << 1462346029.42182803 libvdwxc nonlocal (129.55845s) stopped
T01 >> 1462346029.42189407 redistribute (21.23922s) started
T01 << 1462346030.06125593 redistribute (21.87859s) stopped
T01 << 1462346030.06229806 van der Waals (197.30420s) stopped
T01 << 1462346030.24616289 XC 3D grid (204.42034s) stopped
T01 >> 1462346030.24621296 Poisson (90.74694s) started
T01 << 1462346034.92589402 Poisson (95.42662s) stopped
T01 >> 1462346034.92597699 Hartree integrate/restrict (1.51871s) started
T01 << 1462346034.94489193 Hartree integrate/restrict (1.53762s) stopped
T01 >> 1462346034.94498706 Hartree integrate/restrict (1.53769s) started
T01 << 1462346035.00699210 Hartree integrate/restrict (1.59970s) stopped
T01 >> 1462346035.02854109 Atomic (126.08734s) started
T01 >> 1462346035.03941607 XC Correction (125.83955s) started
T01 << 1462346041.75883293 XC Correction (132.55897s) stopped
T01 << 1462346041.76200795 Atomic (132.82080s) stopped
T01 >> 1462346041.76226401 Communicate (118.86837s) started
T01 << 1462346047.97473598 Communicate (125.08084s) stopped
T01 << 1462346047.97476506 Hamiltonian (560.06899s) stopped
T01 << 1462346047.97482204 LCAO WFS Initialize (583.20023s) stopped
T01 << 1462346047.98717999 Initialization (995.66253s) stopped
T01 >> 1462346048.01232290 SCF-cycle (12067.29499s) started
T01 >> 1462346048.01236200 LCAO eigensolver (2993.55836s) started
T01 >> 1462346048.01237512 Potential matrix (95.61685s) started
T01 << 1462346048.27143192 Potential matrix (95.87590s) stopped
T01 >> 1462346048.27150798 DistributedAtomicCorrection (495.81463s) started
T01 << 1462346049.60762310 DistributedAtomicCorrection (497.15075s) stopped
T01 >> 1462346049.60771298 Distribute overlap matrix (431.32006s) started
T01 >> 1462346049.60773706 blocked summation (408.95926s) started
T01 << 1462346050.73931408 blocked summation (410.09084s) stopped
T01 >> 1462346050.74081111 Scalapack redistribute (21.80838s) started
T01 << 1462346050.79755592 Scalapack redistribute (21.86513s) stopped
T01 << 1462346050.79763293 Distribute overlap matrix (432.50997s) stopped
T01 >> 1462346050.79820609 Blacs Orbital Layouts (1026.61050s) started
T01 >> 1462346050.79940295 General diagonalize (1006.24809s) started
T01 << 1462346053.49950910 General diagonalize (1008.94820s) stopped
T01 >> 1462346053.49956012 Redistribute coefs (1.08147s) started
T01 << 1462346053.50282311 Redistribute coefs (1.08473s) stopped
T01 >> 1462346053.50287008 Send coefs to domains (18.71688s) started
T01 << 1462346053.55227208 Send coefs to domains (18.76628s) stopped
T01 << 1462346053.55233002 Blacs Orbital Layouts (1029.36462s) stopped
T01 >> 1462346053.55235410 Calculate projections (943.88396s) started
T01 << 1462346056.07578206 Calculate projections (946.40739s) stopped
T01 << 1462346056.07586098 LCAO eigensolver (3001.62186s) stopped
T01 >> 1462346056.07669401 Density (734.07456s) started
T01 >> 1462346056.07670593 Pseudo density (606.85224s) started
T01 >> 1462346056.07714200 Calculate density matrix (545.66009s) started
T01 << 1462346057.60720205 Calculate density matrix (547.19015s) stopped
T01 >> 1462346057.60727310 Construct density (60.34743s) started
T01 << 1462346057.78543806 Construct density (60.52559s) stopped
T01 >> 1462346057.78700089 Symmetrize density (0.01527s) started
T01 << 1462346057.78703403 Symmetrize density (0.01530s) stopped
T01 << 1462346057.78749204 Pseudo density (608.56303s) stopped
T01 >> 1462346057.78751111 Atomic density matrices (84.13139s) started
T01 << 1462346058.02518702 Atomic density matrices (84.36907s) stopped
T01 >> 1462346058.02522802 Multipole moments (1.36181s) started
T01 << 1462346058.02914095 Multipole moments (1.36572s) stopped
T01 >> 1462346058.02916408 Normalize (0.37127s) started
T01 << 1462346058.03029299 Normalize (0.37240s) stopped
T01 >> 1462346058.03032804 Mix (41.33477s) started
T01 << 1462346058.13343596 Mix (41.43788s) stopped
T01 << 1462346058.13352895 Density (736.13140s) stopped
T01 >> 1462346058.13361907 Hamiltonian (8339.35720s) started
T01 >> 1462346058.13363695 vbar (4.74330s) started
T01 << 1462346058.15053391 vbar (4.76020s) stopped
T01 >> 1462346058.15068102 XC 3D grid (3622.90157s) started
T01 >> 1462346058.32916498 van der Waals (3496.43394s) started
T01 >> 1462346058.37316608 semilocal (790.65684s) started
T01 << 1462346060.62188792 semilocal (792.90556s) stopped
T01 >> 1462346060.65275192 redistribute (390.45335s) started
T01 << 1462346061.02271390 redistribute (390.82331s) stopped
T01 >> 1462346061.02278495 libvdwxc nonlocal (2288.67199s) started
T01 << 1462346067.71724892 libvdwxc nonlocal (2295.36645s) stopped
T01 >> 1462346067.71729994 redistribute (390.82335s) started
T01 << 1462346068.36116195 redistribute (391.46721s) stopped
T01 << 1462346068.36248589 van der Waals (3506.46726s) stopped
T01 << 1462346068.54266810 XC 3D grid (3633.29356s) stopped
T01 >> 1462346068.54273105 Poisson (752.48652s) started
T01 << 1462346070.90008402 Poisson (754.84388s) stopped
T01 >> 1462346070.90020800 Hartree integrate/restrict (28.60013s) started
T01 << 1462346070.91900611 Hartree integrate/restrict (28.61893s) stopped
T01 >> 1462346070.91912103 Hartree integrate/restrict (28.61901s) started
T01 << 1462346070.98725390 Hartree integrate/restrict (28.68714s) stopped
T01 >> 1462346070.99994206 Atomic (2229.83638s) started
T01 >> 1462346071.01038098 XC Correction (2225.28658s) started
T01 << 1462346077.73539400 XC Correction (2232.01159s) stopped
T01 << 1462346077.73850608 Atomic (2236.57495s) stopped
T01 >> 1462346077.73865199 Communicate (1693.17593s) started
T01 << 1462346083.65202999 Communicate (1699.08931s) stopped
T01 << 1462346083.65205693 Hamiltonian (8364.87564s) stopped
T01 >> 1462346083.65214896 LCAO eigensolver (3001.62188s) started
T01 >> 1462346083.65216303 Potential matrix (95.87594s) started
T01 << 1462346083.91180301 Potential matrix (96.13558s) stopped
T01 >> 1462346083.91187692 DistributedAtomicCorrection (497.15079s) started
T01 << 1462346085.25404501 DistributedAtomicCorrection (498.49296s) stopped
T01 >> 1462346085.25412989 Distribute overlap matrix (432.50999s) started
T01 >> 1462346085.25415301 blocked summation (410.09088s) started
T01 << 1462346086.39541292 blocked summation (411.23214s) stopped
T01 >> 1462346086.39689994 Scalapack redistribute (21.86516s) started
T01 << 1462346086.45363903 Scalapack redistribute (21.92190s) stopped
T01 << 1462346086.45371890 Distribute overlap matrix (433.70958s) stopped
T01 >> 1462346086.45429111 Blacs Orbital Layouts (1029.36464s) started
T01 >> 1462346086.45540810 General diagonalize (1008.94824s) started
T01 << 1462346089.15599704 General diagonalize (1011.64883s) stopped
T01 >> 1462346089.15606403 Redistribute coefs (1.08477s) started
T01 << 1462346089.16001892 Redistribute coefs (1.08872s) stopped
T01 >> 1462346089.16006398 Send coefs to domains (18.76632s) started
T01 << 1462346089.20935011 Send coefs to domains (18.81561s) stopped
T01 << 1462346089.20940304 Blacs Orbital Layouts (1032.11975s) stopped
T01 >> 1462346089.20944595 Calculate projections (946.40744s) started
T01 << 1462346091.73281789 Calculate projections (948.93082s) stopped
T01 << 1462346091.73289704 LCAO eigensolver (3009.70262s) stopped
T01 >> 1462346091.73356509 Density (736.13141s) started
T01 >> 1462346091.73357701 Pseudo density (608.56304s) started
T01 >> 1462346091.73403502 Calculate density matrix (547.19020s) started
T01 << 1462346093.26484299 Calculate density matrix (548.72100s) stopped
T01 >> 1462346093.26490593 Construct density (60.52563s) started
T01 << 1462346093.44236493 Construct density (60.70309s) stopped
T01 >> 1462346093.44376111 Symmetrize density (0.01531s) started
T01 << 1462346093.44379401 Symmetrize density (0.01535s) stopped
T01 << 1462346093.44424391 Pseudo density (610.27371s) stopped
T01 >> 1462346093.44426298 Atomic density matrices (84.36910s) started
T01 << 1462346093.68264389 Atomic density matrices (84.60748s) stopped
T01 >> 1462346093.68268800 Multipole moments (1.36574s) started
T01 << 1462346093.68664002 Multipole moments (1.36969s) stopped
T01 >> 1462346093.68666506 Normalize (0.37242s) started
T01 << 1462346093.68780208 Normalize (0.37356s) stopped
T01 >> 1462346093.68783808 Mix (41.43797s) started
T01 << 1462346093.79646206 Mix (41.54659s) stopped
T01 << 1462346093.79656291 Density (738.19441s) stopped
T01 >> 1462346093.79666805 Hamiltonian (8364.87565s) started
T01 >> 1462346093.79669094 vbar (4.76029s) started
T01 << 1462346093.81330705 vbar (4.77690s) stopped
T01 >> 1462346093.81341004 XC 3D grid (3633.29361s) started
T01 >> 1462346093.98700809 van der Waals (3506.46731s) started
T01 >> 1462346094.03200293 semilocal (792.90562s) started
T01 << 1462346096.25958395 semilocal (795.13320s) stopped
T01 >> 1462346096.29251599 redistribute (391.46726s) started
T01 << 1462346096.68323708 redistribute (391.85798s) stopped
T01 >> 1462346096.68330789 libvdwxc nonlocal (2295.36649s) started
T01 << 1462346103.40074706 libvdwxc nonlocal (2302.08393s) stopped
T01 >> 1462346103.40080690 redistribute (391.85802s) started
T01 << 1462346104.04385710 redistribute (392.50107s) stopped
T01 << 1462346104.04512811 van der Waals (3516.52543s) stopped
T01 << 1462346104.22640491 XC 3D grid (3643.70661s) stopped
T01 >> 1462346104.22644997 Poisson (754.84397s) started
T01 << 1462346106.58518100 Poisson (757.20270s) stopped
T01 >> 1462346106.58527398 Hartree integrate/restrict (28.68718s) started
T01 << 1462346106.60439610 Hartree integrate/restrict (28.70630s) stopped
T01 >> 1462346106.60448408 Hartree integrate/restrict (28.70637s) started
T01 << 1462346106.66648698 Hartree integrate/restrict (28.76837s) stopped
T01 >> 1462346106.68912196 Atomic (2236.57496s) started
T01 >> 1462346106.69953489 XC Correction (2232.01161s) started
T01 << 1462346113.03462791 XC Correction (2238.34671s) stopped
T01 << 1462346113.03774190 Atomic (2242.92358s) stopped
T01 >> 1462346113.03788710 Communicate (1699.08933s) started
T01 << 1462346118.74287009 Communicate (1704.79431s) stopped
T01 << 1462346118.74289894 Hamiltonian (8389.82188s) stopped
T01 >> 1462346118.74298906 LCAO eigensolver (3009.70264s) started
T01 >> 1462346118.74300289 Potential matrix (96.13563s) started
T01 << 1462346119.00213790 Potential matrix (96.39476s) stopped
T01 >> 1462346119.00221300 DistributedAtomicCorrection (498.49299s) started
T01 << 1462346120.32936406 DistributedAtomicCorrection (499.82015s) stopped
T01 >> 1462346120.32944703 Distribute overlap matrix (433.70959s) started
T01 >> 1462346120.32946992 blocked summation (411.23218s) started
T01 << 1462346121.46617389 blocked summation (412.36888s) stopped
T01 >> 1462346121.46766305 Scalapack redistribute (21.92194s) started
T01 << 1462346121.52436495 Scalapack redistribute (21.97865s) stopped
T01 << 1462346121.52443910 Distribute overlap matrix (434.90458s) stopped
T01 >> 1462346121.52501106 Blacs Orbital Layouts (1032.11976s) started
T01 >> 1462346121.52589798 General diagonalize (1011.64887s) started
T01 << 1462346124.22354293 General diagonalize (1014.34651s) stopped
T01 >> 1462346124.22360897 Redistribute coefs (1.08876s) started
T01 << 1462346124.22749090 Redistribute coefs (1.09264s) stopped
T01 >> 1462346124.22753692 Send coefs to domains (18.81565s) started
T01 << 1462346124.27624297 Send coefs to domains (18.86436s) stopped
T01 << 1462346124.27630901 Blacs Orbital Layouts (1034.87106s) stopped
T01 >> 1462346124.27635407 Calculate projections (948.93087s) started
T01 << 1462346126.79970407 Calculate projections (951.45422s) stopped
T01 << 1462346126.79978704 LCAO eigensolver (3017.75943s) stopped
T01 >> 1462346126.80050707 Density (738.19443s) started
T01 >> 1462346126.80051994 Pseudo density (610.27372s) started
T01 >> 1462346126.80097103 Calculate density matrix (548.72104s) started
T01 << 1462346128.33159304 Calculate density matrix (550.25167s) stopped
T01 >> 1462346128.33168602 Construct density (60.70313s) started
T01 << 1462346128.50894809 Construct density (60.88039s) stopped
T01 >> 1462346128.51037002 Symmetrize density (0.01536s) started
T01 << 1462346128.51040292 Symmetrize density (0.01539s) stopped
T01 << 1462346128.51086402 Pseudo density (611.98406s) stopped
T01 >> 1462346128.51088405 Atomic density matrices (84.60751s) started
T01 << 1462346128.74887300 Atomic density matrices (84.84549s) stopped
T01 >> 1462346128.74891496 Multipole moments (1.36970s) started
T01 << 1462346128.75285697 Multipole moments (1.37365s) stopped
T01 >> 1462346128.75287890 Normalize (0.37359s) started
T01 << 1462346128.75400591 Normalize (0.37471s) stopped
T01 >> 1462346128.75404000 Mix (41.54669s) started
T01 << 1462346128.86705804 Mix (41.65971s) stopped
T01 << 1462346128.86715102 Density (740.26107s) stopped
T01 >> 1462346128.86723089 Hamiltonian (8389.82190s) started
T01 >> 1462346128.86724901 vbar (4.77696s) started
T01 << 1462346128.88392401 vbar (4.79364s) stopped
T01 >> 1462346128.88402891 XC 3D grid (3643.70664s) started
T01 >> 1462346129.06332111 van der Waals (3516.52547s) started
T01 >> 1462346129.10804105 semilocal (795.13333s) started
T01 << 1462346131.32591009 semilocal (797.35119s) stopped
T01 >> 1462346131.35922790 redistribute (392.50111s) started
T01 << 1462346131.74777889 redistribute (392.88966s) stopped
T01 >> 1462346131.74784994 libvdwxc nonlocal (2302.08397s) started
T01 << 1462346138.45686889 libvdwxc nonlocal (2308.79299s) stopped
T01 >> 1462346138.45694494 redistribute (392.88970s) started
T01 << 1462346139.10145593 redistribute (393.53421s) stopped
T01 << 1462346139.10255003 van der Waals (3526.56470s) stopped
T01 << 1462346139.28147197 XC 3D grid (3654.10408s) stopped
T01 >> 1462346139.28152204 Poisson (757.20278s) started
T01 << 1462346141.63866401 Poisson (759.55992s) stopped
T01 >> 1462346141.63873911 Hartree integrate/restrict (28.76841s) started
T01 << 1462346141.65742898 Hartree integrate/restrict (28.78710s) stopped
T01 >> 1462346141.65755200 Hartree integrate/restrict (28.78718s) started
T01 << 1462346141.71949291 Hartree integrate/restrict (28.84912s) stopped
T01 >> 1462346141.74174690 Atomic (2242.92360s) started
T01 >> 1462346141.75217509 XC Correction (2238.34673s) started
T01 << 1462346148.10964108 XC Correction (2244.70420s) stopped
T01 << 1462346148.11275291 Atomic (2249.29461s) stopped
T01 >> 1462346148.11290002 Communicate (1704.79433s) started
T01 << 1462346153.19835496 Communicate (1709.87978s) stopped
T01 << 1462346153.19838309 Hamiltonian (8414.15305s) stopped
T01 >> 1462346153.19847608 LCAO eigensolver (3017.75945s) started
T01 >> 1462346153.19851589 Potential matrix (96.39480s) started
T01 << 1462346153.45823908 Potential matrix (96.65452s) stopped
T01 >> 1462346153.45831394 DistributedAtomicCorrection (499.82018s) started
T01 << 1462346154.79398704 DistributedAtomicCorrection (501.15586s) stopped
T01 >> 1462346154.79407096 Distribute overlap matrix (434.90459s) started
T01 >> 1462346154.79409409 blocked summation (412.36893s) started
T01 << 1462346155.93442893 blocked summation (413.50926s) stopped
T01 >> 1462346155.93591690 Scalapack redistribute (21.97868s) started
T01 << 1462346155.99471092 Scalapack redistribute (22.03747s) stopped
T01 << 1462346155.99478698 Distribute overlap matrix (436.10531s) stopped
T01 >> 1462346155.99535298 Blacs Orbital Layouts (1034.87107s) started
T01 >> 1462346155.99647689 General diagonalize (1014.34655s) started
T01 << 1462346158.72212601 General diagonalize (1017.07220s) stopped
T01 >> 1462346158.72219300 Redistribute coefs (1.09268s) started
T01 << 1462346158.72529793 Redistribute coefs (1.09578s) stopped
T01 >> 1462346158.72534490 Send coefs to domains (18.86441s) started
T01 << 1462346158.77504110 Send coefs to domains (18.91410s) stopped
T01 << 1462346158.77509499 Blacs Orbital Layouts (1037.65081s) stopped
T01 >> 1462346158.77514005 Calculate projections (951.45427s) started
T01 << 1462346161.29860902 Calculate projections (953.97774s) stopped
T01 << 1462346161.29869294 LCAO eigensolver (3025.85966s) stopped
T01 >> 1462346161.29961491 Density (740.26109s) started
T01 >> 1462346161.29962897 Pseudo density (611.98408s) started
T01 >> 1462346161.30009007 Calculate density matrix (550.25171s) started
T01 << 1462346162.83622408 Calculate density matrix (551.78784s) stopped
T01 >> 1462346162.83630800 Construct density (60.88042s) started
T01 << 1462346163.01445293 Construct density (61.05857s) stopped
T01 >> 1462346163.01602411 Symmetrize density (0.01540s) started
T01 << 1462346163.01605701 Symmetrize density (0.01543s) stopped
T01 << 1462346163.01651096 Pseudo density (613.70096s) stopped
T01 >> 1462346163.01653004 Atomic density matrices (84.84552s) started
T01 << 1462346163.25316310 Atomic density matrices (85.08216s) stopped
T01 >> 1462346163.25320411 Multipole moments (1.37366s) started
T01 << 1462346163.25713897 Multipole moments (1.37760s) stopped
T01 >> 1462346163.25716209 Normalize (0.37474s) started
T01 << 1462346163.25827789 Normalize (0.37585s) stopped
T01 >> 1462346163.25831389 Mix (41.65979s) started
T01 << 1462346163.37241006 Mix (41.77389s) stopped
T01 << 1462346163.37245607 Density (742.33393s) stopped
T01 >> 1462346163.37252998 Hamiltonian (8414.15306s) started
T01 >> 1462346163.37255001 vbar (4.79370s) started
T01 << 1462346163.38954306 vbar (4.81069s) stopped
T01 >> 1462346163.38961506 XC 3D grid (3654.10412s) started
T01 >> 1462346163.56983590 van der Waals (3526.56475s) started
T01 >> 1462346163.61390591 semilocal (797.35129s) started
T01 << 1462346165.83311892 semilocal (799.57050s) stopped
T01 >> 1462346165.86500597 redistribute (393.53425s) started
T01 << 1462346166.24345398 redistribute (393.91270s) stopped
T01 >> 1462346166.24352694 libvdwxc nonlocal (2308.79304s) started
T01 << 1462346172.92917895 libvdwxc nonlocal (2315.47869s) stopped
T01 >> 1462346172.92924595 redistribute (393.91274s) started
T01 << 1462346173.57290792 redistribute (394.55640s) stopped
T01 << 1462346173.57415199 van der Waals (3536.56907s) stopped
T01 << 1462346173.75819802 XC 3D grid (3664.47271s) stopped
T01 >> 1462346173.75827098 Poisson (759.55997s) started
T01 << 1462346176.11307693 Poisson (761.91478s) stopped
T01 >> 1462346176.11320710 Hartree integrate/restrict (28.84916s) started
T01 << 1462346176.13193607 Hartree integrate/restrict (28.86789s) stopped
T01 >> 1462346176.13206291 Hartree integrate/restrict (28.86798s) started
T01 << 1462346176.19504499 Hartree integrate/restrict (28.93096s) stopped
T01 >> 1462346176.21780801 Atomic (2249.29462s) started
T01 >> 1462346176.22827697 XC Correction (2244.70422s) started
T01 << 1462346182.62118292 XC Correction (2251.09713s) stopped
T01 << 1462346182.62431097 Atomic (2255.70113s) stopped
T01 >> 1462346182.62445688 Communicate (1709.87980s) started
T01 << 1462346187.43146610 Communicate (1714.68681s) stopped
T01 << 1462346187.43149400 Hamiltonian (8438.21202s) stopped
T01 >> 1462346187.43158889 LCAO eigensolver (3025.85968s) started
T01 >> 1462346187.43160200 Potential matrix (96.65456s) started
T01 << 1462346187.69045401 Potential matrix (96.91342s) stopped
T01 >> 1462346187.69052792 DistributedAtomicCorrection (501.15589s) started
T01 << 1462346189.01955009 DistributedAtomicCorrection (502.48492s) stopped
T01 >> 1462346189.01963401 Distribute overlap matrix (436.10532s) started
T01 >> 1462346189.01965594 blocked summation (413.50931s) started
T01 << 1462346190.14220309 blocked summation (414.63185s) stopped
T01 >> 1462346190.14373803 Scalapack redistribute (22.03751s) started
T01 << 1462346190.20216489 Scalapack redistribute (22.09594s) stopped
T01 << 1462346190.20224500 Distribute overlap matrix (437.28793s) stopped
T01 >> 1462346190.20282412 Blacs Orbital Layouts (1037.65082s) started
T01 >> 1462346190.20438790 General diagonalize (1017.07224s) started
T01 << 1462346192.90967393 General diagonalize (1019.77752s) stopped
T01 >> 1462346192.90973997 Redistribute coefs (1.09582s) started
T01 << 1462346192.91289711 Redistribute coefs (1.09897s) stopped
T01 >> 1462346192.91294289 Send coefs to domains (18.91415s) started
T01 << 1462346192.96287298 Send coefs to domains (18.96408s) stopped
T01 << 1462346192.96336102 Blacs Orbital Layouts (1040.41136s) stopped
T01 >> 1462346192.96341491 Calculate projections (953.97780s) started
T01 << 1462346195.48695493 Calculate projections (956.50134s) stopped
T01 << 1462346195.48703599 LCAO eigensolver (3033.91513s) stopped
T01 >> 1462346195.48779202 Density (742.33394s) started
T01 >> 1462346195.48780489 Pseudo density (613.70098s) started
T01 >> 1462346195.48826098 Calculate density matrix (551.78789s) started
T01 << 1462346197.02313209 Calculate density matrix (553.32276s) stopped
T01 >> 1462346197.02322698 Construct density (61.05861s) started
T01 << 1462346197.20071912 Construct density (61.23610s) stopped
T01 >> 1462346197.20213199 Symmetrize density (0.01544s) started
T01 << 1462346197.20216489 Symmetrize density (0.01548s) stopped
T01 << 1462346197.20262003 Pseudo density (615.41579s) stopped
T01 >> 1462346197.20264006 Atomic density matrices (85.08218s) started
T01 << 1462346197.44163895 Atomic density matrices (85.32118s) stopped
T01 >> 1462346197.44168305 Multipole moments (1.37761s) started
T01 << 1462346197.44559693 Multipole moments (1.38153s) stopped
T01 >> 1462346197.44562006 Normalize (0.37588s) started
T01 << 1462346197.44675398 Normalize (0.37701s) stopped
T01 >> 1462346197.44678998 Mix (41.77394s) started
T01 << 1462346197.56614089 Mix (41.89329s) stopped
T01 << 1462346197.56618500 Density (744.41234s) stopped
T01 >> 1462346197.56626201 Hamiltonian (8438.21203s) started
T01 >> 1462346197.56628108 vbar (4.81073s) started
T01 << 1462346197.58283496 vbar (4.82728s) stopped
T01 >> 1462346197.58289790 XC 3D grid (3664.47276s) started
T01 >> 1462346197.76261902 van der Waals (3536.56911s) started
T01 >> 1462346197.80761600 semilocal (799.57060s) started
T01 << 1462346200.02700496 semilocal (801.78999s) stopped
T01 >> 1462346200.05896902 redistribute (394.55644s) started
T01 << 1462346200.43389201 redistribute (394.93137s) stopped
T01 >> 1462346200.43396497 libvdwxc nonlocal (2315.47873s) started
T01 << 1462346207.13132191 libvdwxc nonlocal (2322.17609s) stopped
T01 >> 1462346207.13140607 redistribute (394.93141s) started
T01 << 1462346207.79183006 redistribute (395.59183s) stopped
T01 << 1462346207.79352689 van der Waals (3546.60002s) stopped
T01 << 1462346207.96801400 XC 3D grid (3674.85788s) stopped
T01 >> 1462346207.96806407 Poisson (761.91488s) started
T01 << 1462346210.34007406 Poisson (764.28689s) stopped
T01 >> 1462346210.34015489 Hartree integrate/restrict (28.93100s) started
T01 << 1462346210.35923910 Hartree integrate/restrict (28.95008s) stopped
T01 >> 1462346210.35928893 Hartree integrate/restrict (28.95011s) started
T01 << 1462346210.42847300 Hartree integrate/restrict (29.01930s) stopped
T01 >> 1462346210.44396591 Atomic (2255.70114s) started
T01 >> 1462346210.45450997 XC Correction (2251.09715s) started
T01 << 1462346216.91011405 XC Correction (2257.55276s) stopped
T01 << 1462346216.91325092 Atomic (2262.17043s) stopped
T01 >> 1462346216.91339803 Communicate (1714.68683s) started
T01 << 1462346221.56882596 Communicate (1719.34226s) stopped
T01 << 1462346221.56885290 Hamiltonian (8462.21462s) stopped
T01 >> 1462346221.56894493 LCAO eigensolver (3033.91514s) started
T01 >> 1462346221.56895804 Potential matrix (96.91346s) started
T01 << 1462346221.82886696 Potential matrix (97.17336s) stopped
T01 >> 1462346221.82894301 DistributedAtomicCorrection (502.48495s) started
T01 << 1462346223.19094610 DistributedAtomicCorrection (503.84696s) stopped
T01 >> 1462346223.19103098 Distribute overlap matrix (437.28794s) started
T01 >> 1462346223.19105411 blocked summation (414.63190s) started
T01 << 1462346224.27757907 blocked summation (415.71842s) stopped
T01 >> 1462346224.27932811 Scalapack redistribute (22.09598s) started
T01 << 1462346224.33861899 Scalapack redistribute (22.15527s) stopped
T01 << 1462346224.33870196 Distribute overlap matrix (438.43561s) stopped
T01 >> 1462346224.33927703 Blacs Orbital Layouts (1040.41138s) started
T01 >> 1462346224.34056091 General diagonalize (1019.77756s) started
T01 << 1462346227.02746010 General diagonalize (1022.46446s) stopped
T01 >> 1462346227.02752304 Redistribute coefs (1.09901s) started
T01 << 1462346227.03121495 Redistribute coefs (1.10270s) stopped
T01 >> 1462346227.03126311 Send coefs to domains (18.96412s) started
T01 << 1462346227.08053589 Send coefs to domains (19.01339s) stopped
T01 << 1462346227.08083296 Blacs Orbital Layouts (1043.15293s) stopped
T01 >> 1462346227.08088493 Calculate projections (956.50139s) started
T01 << 1462346229.60439610 Calculate projections (959.02491s) stopped
T01 << 1462346229.60467792 LCAO eigensolver (3041.95087s) stopped
T01 >> 1462346229.60541391 Density (744.41235s) started
T01 >> 1462346229.60542703 Pseudo density (615.41580s) started
T01 >> 1462346229.60588908 Calculate density matrix (553.32281s) started
T01 << 1462346231.14151192 Calculate density matrix (554.85843s) stopped
T01 >> 1462346231.14159799 Construct density (61.23614s) started
T01 << 1462346231.31888509 Construct density (61.41342s) stopped
T01 >> 1462346231.32122803 Symmetrize density (0.01549s) started
T01 << 1462346231.32126188 Symmetrize density (0.01552s) stopped
T01 << 1462346231.32172704 Pseudo density (617.13210s) stopped
T01 >> 1462346231.32174611 Atomic density matrices (85.32122s) started
T01 << 1462346231.55928111 Atomic density matrices (85.55875s) stopped
T01 >> 1462346231.55931997 Multipole moments (1.38154s) started
T01 << 1462346231.56325889 Multipole moments (1.38548s) stopped
T01 >> 1462346231.56328106 Normalize (0.37704s) started
T01 << 1462346231.56441212 Normalize (0.37817s) stopped
T01 >> 1462346231.56444693 Mix (41.89333s) started
T01 << 1462346231.68665099 Mix (42.01553s) stopped
T01 << 1462346231.68670893 Density (746.49365s) stopped
T01 >> 1462346231.68678904 Hamiltonian (8462.21464s) started
T01 >> 1462346231.68680811 vbar (4.82732s) started
T01 << 1462346231.70272207 vbar (4.84323s) stopped
T01 >> 1462346231.70279694 XC 3D grid (3674.85792s) started
T01 >> 1462346231.88167095 van der Waals (3546.60011s) started
T01 >> 1462346231.92503405 semilocal (801.79006s) started
T01 << 1462346234.16307998 semilocal (804.02811s) stopped
T01 >> 1462346234.19391990 redistribute (395.59194s) started
T01 << 1462346234.56413102 redistribute (395.96215s) stopped
T01 >> 1462346234.56420302 libvdwxc nonlocal (2322.17614s) started
T01 << 1462346241.23085093 libvdwxc nonlocal (2328.84279s) stopped
T01 >> 1462346241.23092794 redistribute (395.96219s) started
T01 << 1462346241.89108896 redistribute (396.62235s) stopped
T01 << 1462346241.89240909 van der Waals (3556.61084s) stopped
T01 << 1462346242.06612206 XC 3D grid (3685.22124s) stopped
T01 >> 1462346242.06617188 Poisson (764.28695s) started
T01 << 1462346244.42775893 Poisson (766.64853s) stopped
T01 >> 1462346244.42785001 Hartree integrate/restrict (29.01934s) started
T01 << 1462346244.44694090 Hartree integrate/restrict (29.03843s) stopped
T01 >> 1462346244.44700289 Hartree integrate/restrict (29.03847s) started
T01 << 1462346244.51483893 Hartree integrate/restrict (29.10631s) stopped
T01 >> 1462346244.53105593 Atomic (2262.17044s) started
T01 >> 1462346244.54171801 XC Correction (2257.55278s) started
T01 << 1462346251.03410602 XC Correction (2264.04517s) stopped
T01 << 1462346251.03724408 Atomic (2268.67663s) stopped
T01 >> 1462346251.03739190 Communicate (1719.34228s) started
T01 << 1462346255.68872094 Communicate (1723.99360s) stopped
T01 << 1462346255.68874907 Hamiltonian (8486.21660s) stopped
T01 >> 1462346255.68884110 LCAO eigensolver (3041.95089s) started
T01 >> 1462346255.68885493 Potential matrix (97.17340s) started
T01 << 1462346255.94850397 Potential matrix (97.43305s) stopped
T01 >> 1462346255.94857907 DistributedAtomicCorrection (503.84699s) started
T01 << 1462346257.31076503 DistributedAtomicCorrection (505.20918s) stopped
T01 >> 1462346257.31084895 Distribute overlap matrix (438.43563s) started
T01 >> 1462346257.31087208 blocked summation (415.71846s) started
T01 << 1462346258.41012597 blocked summation (416.81772s) stopped
T01 >> 1462346258.41191506 Scalapack redistribute (22.15530s) started
T01 << 1462346258.46915889 Scalapack redistribute (22.21255s) stopped
T01 << 1462346258.46923709 Distribute overlap matrix (439.59402s) stopped
T01 >> 1462346258.46980500 Blacs Orbital Layouts (1043.15295s) started
T01 >> 1462346258.47107697 General diagonalize (1022.46450s) started
T01 << 1462346261.16481304 General diagonalize (1025.15824s) stopped
T01 >> 1462346261.16487694 Redistribute coefs (1.10274s) started
T01 << 1462346261.16863108 Redistribute coefs (1.10649s) stopped
T01 >> 1462346261.16868091 Send coefs to domains (19.01344s) started
T01 << 1462346261.21782589 Send coefs to domains (19.06258s) stopped
T01 << 1462346261.21810699 Blacs Orbital Layouts (1045.90125s) stopped
T01 >> 1462346261.21816397 Calculate projections (959.02496s) started
T01 << 1462346263.74168611 Calculate projections (961.54848s) stopped
T01 << 1462346263.74196196 LCAO eigensolver (3050.00401s) stopped
T01 >> 1462346263.74284601 Density (746.49366s) started
T01 >> 1462346263.74285889 Pseudo density (617.13212s) started
T01 >> 1462346263.74331999 Calculate density matrix (554.85847s) started
T01 << 1462346265.28122807 Calculate density matrix (556.39638s) stopped
T01 >> 1462346265.28131795 Construct density (61.41346s) started
T01 << 1462346265.45944595 Construct density (61.59159s) stopped
T01 >> 1462346265.46099997 Symmetrize density (0.01553s) started
T01 << 1462346265.46103191 Symmetrize density (0.01557s) stopped
T01 << 1462346265.46148610 Pseudo density (618.85075s) stopped
T01 >> 1462346265.46150494 Atomic density matrices (85.55878s) started
T01 << 1462346265.69884706 Atomic density matrices (85.79612s) stopped
T01 >> 1462346265.69888806 Multipole moments (1.38550s) started
T01 << 1462346265.70280504 Multipole moments (1.38941s) stopped
T01 >> 1462346265.70282793 Normalize (0.37820s) started
T01 << 1462346265.70395494 Normalize (0.37932s) stopped
T01 >> 1462346265.70399094 Mix (42.01559s) started
T01 << 1462346265.82224989 Mix (42.13385s) stopped
T01 << 1462346265.82234001 Density (748.57316s) stopped
T01 >> 1462346265.82242203 Hamiltonian (8486.21661s) started
T01 >> 1462346265.82244110 vbar (4.84327s) started
T01 << 1462346265.83942389 vbar (4.86026s) stopped
T01 >> 1462346265.83952904 XC 3D grid (3685.22128s) started
T01 >> 1462346266.01688695 van der Waals (3556.61094s) started
T01 >> 1462346266.06144404 semilocal (804.02817s) started
T01 << 1462346268.27675796 semilocal (806.24349s) stopped
T01 >> 1462346268.30904293 redistribute (396.62247s) started
T01 << 1462346268.69204402 redistribute (397.00547s) stopped
T01 >> 1462346268.69211292 libvdwxc nonlocal (2328.84284s) started
T01 << 1462346275.38478208 libvdwxc nonlocal (2335.53551s) stopped
T01 >> 1462346275.38488102 redistribute (397.00551s) started
T01 << 1462346276.03533792 redistribute (397.65597s) stopped
T01 << 1462346276.03651190 van der Waals (3566.63056s) stopped
T01 << 1462346276.21520805 XC 3D grid (3695.59696s) stopped
T01 >> 1462346276.21525788 Poisson (766.64860s) started
T01 << 1462346278.57588792 Poisson (769.00923s) stopped
T01 >> 1462346278.57595897 Hartree integrate/restrict (29.10634s) started
T01 << 1462346278.59474301 Hartree integrate/restrict (29.12512s) stopped
T01 >> 1462346278.59480000 Hartree integrate/restrict (29.12516s) started
T01 << 1462346278.66262889 Hartree integrate/restrict (29.19299s) stopped
T01 >> 1462346278.67540789 Atomic (2268.67665s) started
T01 >> 1462346278.68600988 XC Correction (2264.04519s) started
T01 << 1462346285.12305689 XC Correction (2270.48224s) stopped
T01 << 1462346285.12619400 Atomic (2275.12744s) stopped
T01 >> 1462346285.12633896 Communicate (1723.99362s) started
T01 << 1462346289.83159590 Communicate (1728.69888s) stopped
T01 << 1462346289.83162403 Hamiltonian (8510.22581s) stopped
T01 >> 1462346289.83172202 LCAO eigensolver (3050.00403s) started
T01 >> 1462346289.83173609 Potential matrix (97.43309s) started
T01 << 1462346290.09035397 Potential matrix (97.69171s) stopped
T01 >> 1462346290.09042811 DistributedAtomicCorrection (505.20922s) started
T01 << 1462346291.44579101 DistributedAtomicCorrection (506.56458s) stopped
T01 >> 1462346291.44587708 Distribute overlap matrix (439.59403s) started
T01 >> 1462346291.44589996 blocked summation (416.81776s) started
T01 << 1462346292.54422402 blocked summation (417.91608s) stopped
T01 >> 1462346292.54654908 Scalapack redistribute (22.21258s) started
T01 << 1462346292.60355496 Scalapack redistribute (22.26959s) stopped
T01 << 1462346292.60363412 Distribute overlap matrix (440.75179s) stopped
T01 >> 1462346292.60423112 Blacs Orbital Layouts (1045.90127s) started
T01 >> 1462346292.60556698 General diagonalize (1025.15827s) started
T01 << 1462346295.30220890 General diagonalize (1027.85492s) stopped
T01 >> 1462346295.30227208 Redistribute coefs (1.10653s) started
T01 << 1462346295.30526090 Redistribute coefs (1.10952s) stopped
T01 >> 1462346295.30530691 Send coefs to domains (19.06262s) started
T01 << 1462346295.35652208 Send coefs to domains (19.11384s) stopped
T01 << 1462346295.35683107 Blacs Orbital Layouts (1048.65387s) stopped
T01 >> 1462346295.35687900 Calculate projections (961.54854s) started
T01 << 1462346297.88030195 Calculate projections (964.07196s) stopped
T01 << 1462346297.88074589 LCAO eigensolver (3058.05305s) stopped
T01 >> 1462346297.88145590 Density (748.57317s) started
T01 >> 1462346297.88146901 Pseudo density (618.85076s) started
T01 >> 1462346297.88191009 Calculate density matrix (556.39642s) started
T01 << 1462346299.42739391 Calculate density matrix (557.94191s) stopped
T01 >> 1462346299.42748308 Construct density (61.59162s) started
T01 << 1462346299.60494804 Construct density (61.76909s) stopped
T01 >> 1462346299.60634995 Symmetrize density (0.01558s) started
T01 << 1462346299.60638189 Symmetrize density (0.01561s) stopped
T01 << 1462346299.60684395 Pseudo density (620.57613s) stopped
T01 >> 1462346299.60686398 Atomic density matrices (85.79615s) started
T01 << 1462346299.84451890 Atomic density matrices (86.03380s) stopped
T01 >> 1462346299.84455991 Multipole moments (1.38943s) started
T01 << 1462346299.84847212 Multipole moments (1.39334s) stopped
T01 >> 1462346299.84849405 Normalize (0.37935s) started
T01 << 1462346299.84961104 Normalize (0.38047s) stopped
T01 >> 1462346299.84964609 Mix (42.13393s) started
T01 << 1462346299.96840310 Mix (42.25269s) stopped
T01 << 1462346299.96851110 Density (750.66023s) stopped
T01 >> 1462346299.96859407 Hamiltonian (8510.22582s) started
T01 >> 1462346299.96861196 vbar (4.86032s) started
T01 << 1462346299.98547411 vbar (4.87718s) stopped
T01 >> 1462346299.98558402 XC 3D grid (3695.59700s) started
T01 >> 1462346300.16661692 van der Waals (3566.63061s) started
T01 >> 1462346300.21033406 semilocal (806.24356s) started
T01 << 1462346302.46144700 semilocal (808.49468s) stopped
T01 >> 1462346302.49151206 redistribute (397.65601s) started
T01 << 1462346302.86501598 redistribute (398.02951s) stopped
T01 >> 1462346302.86508799 libvdwxc nonlocal (2335.53559s) started
T01 << 1462346309.56863093 libvdwxc nonlocal (2342.23913s) stopped
T01 >> 1462346309.56873012 redistribute (398.02955s) started
T01 << 1462346310.22137403 redistribute (398.68220s) stopped
T01 << 1462346310.22257996 van der Waals (3576.68657s) stopped
T01 << 1462346310.40255594 XC 3D grid (3706.01397s) stopped
T01 >> 1462346310.40260410 Poisson (769.00929s) started
T01 << 1462346312.76711988 Poisson (771.37380s) stopped
T01 >> 1462346312.76719403 Hartree integrate/restrict (29.19302s) started
T01 << 1462346312.78634810 Hartree integrate/restrict (29.21218s) stopped
T01 >> 1462346312.78642702 Hartree integrate/restrict (29.21223s) started
T01 << 1462346312.85405397 Hartree integrate/restrict (29.27986s) stopped
T01 >> 1462346312.86780500 Atomic (2275.12745s) started
T01 >> 1462346312.87844992 XC Correction (2270.48226s) started
T01 << 1462346319.33321309 XC Correction (2276.93703s) stopped
T01 << 1462346319.33633590 Atomic (2281.59598s) stopped
T01 >> 1462346319.33648705 Communicate (1728.69890s) started
T01 << 1462346324.08058810 Communicate (1733.44300s) stopped
T01 << 1462346324.08061600 Hamiltonian (8534.33784s) stopped
T01 >> 1462346324.08071399 LCAO eigensolver (3058.05307s) started
T01 >> 1462346324.08072805 Potential matrix (97.69175s) started
T01 << 1462346324.34012389 Potential matrix (97.95115s) stopped
T01 >> 1462346324.34019899 DistributedAtomicCorrection (506.56462s) started
T01 << 1462346325.69239211 DistributedAtomicCorrection (507.91681s) stopped
T01 >> 1462346325.69247699 Distribute overlap matrix (440.75180s) started
T01 >> 1462346325.69249892 blocked summation (417.91612s) started
T01 << 1462346326.82701397 blocked summation (419.05064s) stopped
T01 >> 1462346326.82885194 Scalapack redistribute (22.26963s) started
T01 << 1462346326.88790798 Scalapack redistribute (22.32868s) stopped
T01 << 1462346326.88798404 Distribute overlap matrix (441.94730s) stopped
T01 >> 1462346326.88855410 Blacs Orbital Layouts (1048.65389s) started
T01 >> 1462346326.88983703 General diagonalize (1027.85495s) started
T01 << 1462346329.58465600 General diagonalize (1030.54977s) stopped
T01 >> 1462346329.58472395 Redistribute coefs (1.10956s) started
T01 << 1462346329.58836198 Redistribute coefs (1.11319s) stopped
T01 >> 1462346329.58840990 Send coefs to domains (19.11388s) started
T01 << 1462346329.63780499 Send coefs to domains (19.16327s) stopped
T01 << 1462346329.63808107 Blacs Orbital Layouts (1051.40341s) stopped
T01 >> 1462346329.63813090 Calculate projections (964.07201s) started
T01 << 1462346332.16147494 Calculate projections (966.59536s) stopped
T01 << 1462346332.16174603 LCAO eigensolver (3066.13410s) stopped
T01 >> 1462346332.16261601 Density (750.66024s) started
T01 >> 1462346332.16262794 Pseudo density (620.57615s) started
T01 >> 1462346332.16308904 Calculate density matrix (557.94195s) started
T01 << 1462346333.69964695 Calculate density matrix (559.47851s) stopped
T01 >> 1462346333.69973707 Construct density (61.76912s) started
T01 << 1462346333.87732005 Construct density (61.94671s) stopped
T01 >> 1462346333.87887311 Symmetrize density (0.01562s) started
T01 << 1462346333.87890601 Symmetrize density (0.01565s) stopped
T01 << 1462346333.87935996 Pseudo density (622.29288s) stopped
T01 >> 1462346333.87937903 Atomic density matrices (86.03383s) started
T01 << 1462346334.11668801 Atomic density matrices (86.27114s) stopped
T01 >> 1462346334.11672807 Multipole moments (1.39335s) started
T01 << 1462346334.12063003 Multipole moments (1.39726s) stopped
T01 >> 1462346334.12065411 Normalize (0.38049s) started
T01 << 1462346334.12178206 Normalize (0.38162s) stopped
T01 >> 1462346334.12181592 Mix (42.25279s) started
T01 << 1462346334.24364710 Mix (42.37462s) stopped
T01 << 1462346334.24369502 Density (752.74132s) stopped
T01 >> 1462346334.24377298 Hamiltonian (8534.33786s) started
T01 >> 1462346334.24383998 vbar (4.87725s) started
T01 << 1462346334.26005507 vbar (4.89346s) stopped
T01 >> 1462346334.26012897 XC 3D grid (3706.01401s) started
T01 >> 1462346334.43868089 van der Waals (3576.68663s) started
T01 >> 1462346334.48243594 semilocal (808.49475s) started
T01 << 1462346336.71791792 semilocal (810.73023s) stopped
T01 >> 1462346336.74984288 redistribute (398.68224s) started
T01 << 1462346337.12367010 redistribute (399.05606s) stopped
T01 >> 1462346337.12373996 libvdwxc nonlocal (2342.23920s) started
T01 << 1462346343.83251691 libvdwxc nonlocal (2348.94798s) stopped
T01 >> 1462346343.83258510 redistribute (399.05610s) started
T01 << 1462346344.48470306 redistribute (399.70822s) stopped
T01 << 1462346344.48573589 van der Waals (3586.73369s) stopped
T01 << 1462346344.66547108 XC 3D grid (3716.41935s) stopped
T01 >> 1462346344.66552210 Poisson (771.37386s) started
T01 << 1462346347.03281212 Poisson (773.74115s) stopped
T01 >> 1462346347.03288507 Hartree integrate/restrict (29.27989s) started
T01 << 1462346347.05192304 Hartree integrate/restrict (29.29893s) stopped
T01 >> 1462346347.05203700 Hartree integrate/restrict (29.29900s) started
T01 << 1462346347.11905909 Hartree integrate/restrict (29.36603s) stopped
T01 >> 1462346347.13611794 Atomic (2281.59600s) started
T01 >> 1462346347.14682102 XC Correction (2276.93705s) started
T01 << 1462346353.62245297 XC Correction (2283.41268s) stopped
T01 << 1462346353.62560797 Atomic (2288.08549s) stopped
T01 >> 1462346353.62575793 Communicate (1733.44302s) started
T01 << 1462346358.37016606 Communicate (1738.18743s) stopped
T01 << 1462346358.37019300 Hamiltonian (8558.46428s) stopped
T01 >> 1462346358.37028599 LCAO eigensolver (3066.13412s) started
T01 >> 1462346358.37030005 Potential matrix (97.95119s) started
T01 << 1462346358.63085198 Potential matrix (98.21174s) stopped
T01 >> 1462346358.63092899 DistributedAtomicCorrection (507.91685s) started
T01 << 1462346359.98450589 DistributedAtomicCorrection (509.27043s) stopped
T01 >> 1462346359.98459291 Distribute overlap matrix (441.94732s) started
T01 >> 1462346359.98461604 blocked summation (419.05068s) started
T01 << 1462346361.10753989 blocked summation (420.17360s) stopped
T01 >> 1462346361.10937691 Scalapack redistribute (22.32872s) started
T01 << 1462346361.16808391 Scalapack redistribute (22.38742s) stopped
T01 << 1462346361.16816401 Distribute overlap matrix (443.13089s) stopped
T01 >> 1462346361.16873193 Blacs Orbital Layouts (1051.40343s) started
T01 >> 1462346361.16997790 General diagonalize (1030.54981s) started
T01 << 1462346363.84697509 General diagonalize (1033.22681s) stopped
T01 >> 1462346363.84703898 Redistribute coefs (1.11323s) started
T01 << 1462346363.85080791 Redistribute coefs (1.11700s) stopped
T01 >> 1462346363.85085702 Send coefs to domains (19.16332s) started
T01 << 1462346363.90059400 Send coefs to domains (19.21305s) stopped
T01 << 1462346363.90088892 Blacs Orbital Layouts (1054.13559s) stopped
T01 >> 1462346363.90094090 Calculate projections (966.59541s) started
T01 << 1462346366.42464495 Calculate projections (969.11912s) stopped
T01 << 1462346366.42492509 LCAO eigensolver (3074.18876s) stopped
T01 >> 1462346366.42581892 Density (752.74134s) started
T01 >> 1462346366.42583203 Pseudo density (622.29289s) started
T01 >> 1462346366.42629004 Calculate density matrix (559.47856s) started
T01 << 1462346367.96586895 Calculate density matrix (561.01814s) stopped
T01 >> 1462346367.96595812 Construct density (61.94674s) started
T01 << 1462346368.14414096 Construct density (62.12492s) stopped
T01 >> 1462346368.14573407 Symmetrize density (0.01567s) started
T01 << 1462346368.14576602 Symmetrize density (0.01570s) stopped
T01 << 1462346368.14621902 Pseudo density (624.01328s) stopped
T01 >> 1462346368.14623809 Atomic density matrices (86.27117s) started
T01 << 1462346368.38273692 Atomic density matrices (86.50767s) stopped
T01 >> 1462346368.38277793 Multipole moments (1.39727s) started
T01 << 1462346368.38670802 Multipole moments (1.40120s) stopped
T01 >> 1462346368.38672900 Normalize (0.38164s) started
T01 << 1462346368.38786697 Normalize (0.38278s) stopped
T01 >> 1462346368.38790107 Mix (42.37467s) started
T01 << 1462346368.50634003 Mix (42.49311s) stopped
T01 << 1462346368.50642896 Density (754.82195s) stopped
T01 >> 1462346368.50651312 Hamiltonian (8558.46429s) started
T01 >> 1462346368.50653195 vbar (4.89350s) started
T01 << 1462346368.52340794 vbar (4.91038s) stopped
T01 >> 1462346368.52351594 XC 3D grid (3716.41939s) started
T01 >> 1462346368.70392299 van der Waals (3586.73374s) started
T01 >> 1462346368.74869609 semilocal (810.73031s) started
T01 << 1462346370.97693801 semilocal (812.95855s) stopped
T01 >> 1462346371.00942612 redistribute (399.70827s) started
T01 << 1462346371.38867211 redistribute (400.08752s) stopped
T01 >> 1462346371.38874412 libvdwxc nonlocal (2348.94802s) started
T01 << 1462346378.07903695 libvdwxc nonlocal (2355.63832s) stopped
T01 >> 1462346378.07910895 redistribute (400.08756s) started
T01 << 1462346378.73426104 redistribute (400.74271s) stopped
T01 << 1462346378.73547196 van der Waals (3596.76529s) stopped
T01 << 1462346378.91361189 XC 3D grid (3726.80948s) stopped
T01 >> 1462346378.91365695 Poisson (773.74120s) started
T01 << 1462346380.69537711 Poisson (775.52292s) stopped
T01 >> 1462346380.69544911 Hartree integrate/restrict (29.36606s) started
T01 << 1462346380.71449304 Hartree integrate/restrict (29.38510s) stopped
T01 >> 1462346380.71456790 Hartree integrate/restrict (29.38516s) started
T01 << 1462346380.77639890 Hartree integrate/restrict (29.44699s) stopped
T01 >> 1462346380.79909801 Atomic (2288.08551s) started
T01 >> 1462346380.80978703 XC Correction (2283.41271s) started
T01 << 1462346387.26540494 XC Correction (2289.86833s) stopped
T01 << 1462346387.26858306 Atomic (2294.55499s) stopped
T01 >> 1462346387.26873708 Communicate (1738.18745s) started
T01 << 1462346392.02383399 Communicate (1742.94254s) stopped
T01 << 1462346392.02386189 Hamiltonian (8581.98164s) stopped
T01 >> 1462346392.02395892 LCAO eigensolver (3074.18878s) started
T01 >> 1462346392.02397299 Potential matrix (98.21178s) started
T01 << 1462346392.28360009 Potential matrix (98.47141s) stopped
T01 >> 1462346392.28367805 DistributedAtomicCorrection (509.27046s) started
T01 << 1462346393.62939596 DistributedAtomicCorrection (510.61618s) stopped
T01 >> 1462346393.62948108 Distribute overlap matrix (443.13090s) started
T01 >> 1462346393.62950397 blocked summation (420.17364s) started
T01 << 1462346394.75378299 blocked summation (421.29792s) stopped
T01 >> 1462346394.75610590 Scalapack redistribute (22.38746s) started
T01 << 1462346394.81440306 Scalapack redistribute (22.44576s) stopped
T01 << 1462346394.81448102 Distribute overlap matrix (444.31590s) stopped
T01 >> 1462346394.81507492 Blacs Orbital Layouts (1054.13561s) started
T01 >> 1462346394.81639194 General diagonalize (1033.22685s) started
T01 << 1462346397.50909400 General diagonalize (1035.91955s) stopped
T01 >> 1462346397.50916004 Redistribute coefs (1.11704s) started
T01 << 1462346397.51229000 Redistribute coefs (1.12017s) stopped
T01 >> 1462346397.51233792 Send coefs to domains (19.21310s) started
T01 << 1462346397.56278491 Send coefs to domains (19.26354s) stopped
T01 << 1462346397.56311297 Blacs Orbital Layouts (1056.88364s) stopped
T01 >> 1462346397.56316710 Calculate projections (969.11917s) started
T01 << 1462346400.08670712 Calculate projections (971.64271s) stopped
T01 << 1462346400.08714509 LCAO eigensolver (3082.25197s) stopped
T01 >> 1462346400.08784294 Density (754.82196s) started
T01 >> 1462346400.08785605 Pseudo density (624.01329s) started
T01 >> 1462346400.08831191 Calculate density matrix (561.01818s) started
T01 << 1462346401.62867188 Calculate density matrix (562.55854s) stopped
T01 >> 1462346401.62875795 Construct density (62.12496s) started
T01 << 1462346401.80616689 Construct density (62.30237s) stopped
T01 >> 1462346401.80756307 Symmetrize density (0.01571s) started
T01 << 1462346401.80759597 Symmetrize density (0.01574s) stopped
T01 << 1462346401.80805898 Pseudo density (625.73350s) stopped
T01 >> 1462346401.80807900 Atomic density matrices (86.50769s) started
T01 << 1462346402.04691005 Atomic density matrices (86.74653s) stopped
T01 >> 1462346402.04695010 Multipole moments (1.40122s) started
T01 << 1462346402.05087805 Multipole moments (1.40514s) stopped
T01 >> 1462346402.05090094 Normalize (0.38281s) started
T01 << 1462346402.05203891 Normalize (0.38394s) stopped
T01 >> 1462346402.05207491 Mix (42.49320s) started
T01 << 1462346402.17118502 Mix (42.61231s) stopped
T01 << 1462346402.17123294 Density (756.90535s) stopped
T01 >> 1462346402.17130589 Hamiltonian (8581.98165s) started
T01 >> 1462346402.17132401 vbar (4.91044s) started
T01 << 1462346402.18819404 vbar (4.92731s) stopped
T01 >> 1462346402.18826008 XC 3D grid (3726.80952s) started
T01 >> 1462346402.36236191 van der Waals (3596.76534s) started
T01 >> 1462346402.40689898 semilocal (812.95865s) started
T01 << 1462346404.60765409 semilocal (815.15941s) stopped
T01 >> 1462346404.64053988 redistribute (400.74276s) started
T01 << 1462346405.05030704 redistribute (401.15253s) stopped
T01 >> 1462346405.05037808 libvdwxc nonlocal (2355.63836s) started
T01 << 1462346411.75875592 libvdwxc nonlocal (2362.34674s) stopped
T01 >> 1462346411.75883102 redistribute (401.15257s) started
T01 << 1462346412.40205407 redistribute (401.79579s) stopped
T01 << 1462346412.40305901 van der Waals (3606.80604s) stopped
T01 << 1462346412.58176494 XC 3D grid (3737.20302s) stopped
T01 >> 1462346412.58181095 Poisson (775.52297s) started
T01 << 1462346414.36422610 Poisson (777.30539s) stopped
T01 >> 1462346414.36430097 Hartree integrate/restrict (29.44704s) started
T01 << 1462346414.38319111 Hartree integrate/restrict (29.46593s) stopped
T01 >> 1462346414.38326812 Hartree integrate/restrict (29.46598s) started
T01 << 1462346414.44579411 Hartree integrate/restrict (29.52850s) stopped
T01 >> 1462346414.46815991 Atomic (2294.55501s) started
T01 >> 1462346414.47876096 XC Correction (2289.86835s) started
T01 << 1462346420.88856196 XC Correction (2296.27815s) stopped
T01 << 1462346420.89171791 Atomic (2300.97857s) stopped
T01 >> 1462346420.89186406 Communicate (1742.94256s) started
T01 << 1462346425.87212706 Communicate (1747.92283s) stopped
T01 << 1462346425.87215590 Hamiltonian (8605.68250s) stopped
T01 >> 1462346425.87225103 LCAO eigensolver (3082.25199s) started
T01 >> 1462346425.87226510 Potential matrix (98.47145s) started
T01 << 1462346426.13245201 Potential matrix (98.73164s) stopped
T01 >> 1462346426.13252592 DistributedAtomicCorrection (510.61622s) started
T01 << 1462346427.48596096 DistributedAtomicCorrection (511.96965s) stopped
T01 >> 1462346427.48604488 Distribute overlap matrix (444.31591s) started
T01 >> 1462346427.48606801 blocked summation (421.29796s) started
T01 << 1462346428.53781605 blocked summation (422.34971s) stopped
T01 >> 1462346428.53967094 Scalapack redistribute (22.44579s) started
T01 << 1462346428.59936094 Scalapack redistribute (22.50548s) stopped
T01 << 1462346428.59943891 Distribute overlap matrix (445.42931s) stopped
T01 >> 1462346428.60001397 Blacs Orbital Layouts (1056.88366s) started
T01 >> 1462346428.60128808 General diagonalize (1035.91959s) started
T01 << 1462346431.28716707 General diagonalize (1038.60547s) stopped
T01 >> 1462346431.28723192 Redistribute coefs (1.12021s) started
T01 << 1462346431.28986406 Redistribute coefs (1.12284s) stopped
T01 >> 1462346431.28991103 Send coefs to domains (19.26358s) started
T01 << 1462346431.34147811 Send coefs to domains (19.31515s) stopped
T01 << 1462346431.34175205 Blacs Orbital Layouts (1059.62540s) stopped
T01 >> 1462346431.34180093 Calculate projections (971.64277s) started
T01 << 1462346433.86532211 Calculate projections (974.16629s) stopped
T01 << 1462346433.86559796 LCAO eigensolver (3090.24533s) stopped
T01 >> 1462346433.86648202 Density (756.90537s) started
T01 >> 1462346433.86649394 Pseudo density (625.73351s) started
T01 >> 1462346433.86695194 Calculate density matrix (562.55858s) started
T01 << 1462346435.40657306 Calculate density matrix (564.09820s) stopped
T01 >> 1462346435.40665603 Construct density (62.30240s) started
T01 << 1462346435.58476901 Construct density (62.48052s) stopped
T01 >> 1462346435.58634210 Symmetrize density (0.01575s) started
T01 << 1462346435.58637500 Symmetrize density (0.01579s) stopped
T01 << 1462346435.58683705 Pseudo density (627.45385s) stopped
T01 >> 1462346435.58685589 Atomic density matrices (86.74655s) started
T01 << 1462346435.82404900 Atomic density matrices (86.98375s) stopped
T01 >> 1462346435.82408905 Multipole moments (1.40516s) started
T01 << 1462346435.82808495 Multipole moments (1.40916s) stopped
T01 >> 1462346435.82810712 Normalize (0.38397s) started
T01 << 1462346435.82923508 Normalize (0.38510s) stopped
T01 >> 1462346435.82926893 Mix (42.61235s) started
T01 << 1462346435.95207500 Mix (42.73516s) stopped
T01 << 1462346435.95216107 Density (758.99105s) stopped
T01 >> 1462346435.95224690 Hamiltonian (8605.68251s) started
T01 >> 1462346435.95226693 vbar (4.92735s) started
T01 << 1462346435.96787500 vbar (4.94296s) stopped
T01 >> 1462346435.96798491 XC 3D grid (3737.20306s) started
T01 >> 1462346436.14643407 van der Waals (3606.80609s) started
T01 >> 1462346436.19009209 semilocal (815.15955s) started
T01 << 1462346438.42529798 semilocal (817.39476s) stopped
T01 >> 1462346438.45782399 redistribute (401.79584s) started
T01 << 1462346438.83933902 redistribute (402.17735s) stopped
T01 >> 1462346438.83941007 libvdwxc nonlocal (2362.34679s) started
T01 << 1462346445.53225207 libvdwxc nonlocal (2369.03963s) stopped
T01 >> 1462346445.53233290 redistribute (402.17739s) started
T01 << 1462346446.19134498 redistribute (402.83640s) stopped
T01 << 1462346446.19273400 van der Waals (3616.85239s) stopped
T01 << 1462346446.36702299 XC 3D grid (3747.60209s) stopped
T01 >> 1462346446.36707306 Poisson (777.30545s) started
T01 << 1462346448.14635992 Poisson (779.08473s) stopped
T01 >> 1462346448.14644408 Hartree integrate/restrict (29.52854s) started
T01 << 1462346448.16540098 Hartree integrate/restrict (29.54749s) stopped
T01 >> 1462346448.16546702 Hartree integrate/restrict (29.54754s) started
T01 << 1462346448.23371005 Hartree integrate/restrict (29.61578s) stopped
T01 >> 1462346448.24999404 Atomic (2300.97858s) started
T01 >> 1462346448.26068997 XC Correction (2296.27818s) started
T01 << 1462346454.72356510 XC Correction (2302.74105s) stopped
T01 << 1462346454.72671890 Atomic (2307.45531s) stopped
T01 >> 1462346454.72687006 Communicate (1747.92285s) started
T01 << 1462346459.59320211 Communicate (1752.78918s) stopped
T01 << 1462346459.59323096 Hamiltonian (8629.32350s) stopped
T01 >> 1462346459.59332609 LCAO eigensolver (3090.24535s) started
T01 >> 1462346459.59334111 Potential matrix (98.73168s) started
T01 << 1462346459.85546899 Potential matrix (98.99380s) stopped
T01 >> 1462346459.85554504 DistributedAtomicCorrection (511.96969s) started
T01 << 1462346461.22720599 DistributedAtomicCorrection (513.34135s) stopped
T01 >> 1462346461.22729206 Distribute overlap matrix (445.42932s) started
T01 >> 1462346461.22731495 blocked summation (422.34975s) started
T01 << 1462346462.25782704 blocked summation (423.38026s) stopped
T01 >> 1462346462.25975704 Scalapack redistribute (22.50552s) started
T01 << 1462346462.31827402 Scalapack redistribute (22.56404s) stopped
T01 << 1462346462.31835198 Distribute overlap matrix (446.52038s) stopped
T01 >> 1462346462.31892204 Blacs Orbital Layouts (1059.62542s) started
T01 >> 1462346462.32018089 General diagonalize (1038.60551s) started
T01 << 1462346464.99892497 General diagonalize (1041.28425s) stopped
T01 >> 1462346464.99898911 Redistribute coefs (1.12288s) started
T01 << 1462346465.00260496 Redistribute coefs (1.12649s) stopped
T01 >> 1462346465.00265193 Send coefs to domains (19.31520s) started
T01 << 1462346465.05232406 Send coefs to domains (19.36487s) stopped
T01 << 1462346465.05261397 Blacs Orbital Layouts (1062.35911s) stopped
T01 >> 1462346465.05266500 Calculate projections (974.16634s) started
T01 << 1462346467.57614708 Calculate projections (976.68982s) stopped
T01 << 1462346467.57642198 LCAO eigensolver (3098.22845s) stopped
T01 >> 1462346467.57733107 Density (758.99106s) started
T01 >> 1462346467.57736397 Pseudo density (627.45387s) started
T01 >> 1462346467.57781911 Calculate density matrix (564.09825s) started
T01 << 1462346469.11615300 Calculate density matrix (565.63658s) stopped
T01 >> 1462346469.11624002 Construct density (62.48055s) started
T01 << 1462346469.29441500 Construct density (62.65873s) stopped
T01 >> 1462346469.29596710 Symmetrize density (0.01580s) started
T01 << 1462346469.29599905 Symmetrize density (0.01583s) stopped
T01 << 1462346469.29645205 Pseudo density (629.17296s) stopped
T01 >> 1462346469.29647112 Atomic density matrices (86.98377s) started
T01 << 1462346469.53382111 Atomic density matrices (87.22112s) stopped
T01 >> 1462346469.53386092 Multipole moments (1.40917s) started
T01 << 1462346469.53787208 Multipole moments (1.41318s) stopped
T01 >> 1462346469.53789401 Normalize (0.38512s) started
T01 << 1462346469.53904510 Normalize (0.38627s) stopped
T01 >> 1462346469.53907990 Mix (42.73524s) started
T01 << 1462346469.65740204 Mix (42.85356s) stopped
T01 << 1462346469.65746689 Density (761.07120s) stopped
T01 >> 1462346469.65754390 Hamiltonian (8629.32351s) started
T01 >> 1462346469.65756297 vbar (4.94302s) started
T01 << 1462346469.67457008 vbar (4.96003s) stopped
T01 >> 1462346469.67467189 XC 3D grid (3747.60213s) started
T01 >> 1462346469.84948707 van der Waals (3616.85250s) started
T01 >> 1462346469.89523411 semilocal (817.39485s) started
T01 << 1462346472.12393498 semilocal (819.62355s) stopped
T01 >> 1462346472.15581894 redistribute (402.83652s) started
T01 << 1462346472.53208303 redistribute (403.21278s) stopped
T01 >> 1462346472.53215504 libvdwxc nonlocal (2369.03969s) started
T01 << 1462346479.23689699 libvdwxc nonlocal (2375.74443s) stopped
T01 >> 1462346479.23697495 redistribute (403.21282s) started
T01 << 1462346479.88823891 redistribute (403.86408s) stopped
T01 << 1462346479.88977003 van der Waals (3626.89279s) stopped
T01 << 1462346480.06816196 XC 3D grid (3757.99562s) stopped
T01 >> 1462346480.06820798 Poisson (779.08480s) started
T01 << 1462346481.85103011 Poisson (780.86762s) stopped
T01 >> 1462346481.85110402 Hartree integrate/restrict (29.61582s) started
T01 << 1462346481.87008691 Hartree integrate/restrict (29.63480s) stopped
T01 >> 1462346481.87014008 Hartree integrate/restrict (29.63484s) started
T01 << 1462346481.93353105 Hartree integrate/restrict (29.69823s) stopped
T01 >> 1462346481.95018101 Atomic (2307.45533s) started
T01 >> 1462346481.96085000 XC Correction (2302.74108s) started
T01 << 1462346488.40481997 XC Correction (2309.18505s) stopped
T01 << 1462346488.40798402 Atomic (2313.91313s) stopped
T01 >> 1462346488.40812802 Communicate (1752.78920s) started
T01 << 1462346493.24283695 Communicate (1757.62391s) stopped
T01 << 1462346493.24286389 Hamiltonian (8652.90883s) stopped
T01 >> 1462346493.24295902 LCAO eigensolver (3098.22846s) started
T01 >> 1462346493.24297309 Potential matrix (98.99385s) started
T01 << 1462346493.50158000 Potential matrix (99.25245s) stopped
T01 >> 1462346493.50165391 DistributedAtomicCorrection (513.34139s) started
T01 << 1462346494.86717391 DistributedAtomicCorrection (514.70691s) stopped
T01 >> 1462346494.86725903 Distribute overlap matrix (446.52039s) started
T01 >> 1462346494.86728191 blocked summation (423.38030s) started
T01 << 1462346495.90232301 blocked summation (424.41534s) stopped
T01 >> 1462346495.90462708 Scalapack redistribute (22.56407s) started
T01 << 1462346495.96321797 Scalapack redistribute (22.62266s) stopped
T01 << 1462346495.96329594 Distribute overlap matrix (447.61643s) stopped
T01 >> 1462346495.96388197 Blacs Orbital Layouts (1062.35913s) started
T01 >> 1462346495.96519089 General diagonalize (1041.28429s) started
T01 << 1462346498.65155292 General diagonalize (1043.97065s) stopped
T01 >> 1462346498.65161896 Redistribute coefs (1.12653s) started
T01 << 1462346498.65461802 Redistribute coefs (1.12953s) stopped
T01 >> 1462346498.65466809 Send coefs to domains (19.36491s) started
T01 << 1462346498.70437288 Send coefs to domains (19.41462s) stopped
T01 << 1462346498.70465112 Blacs Orbital Layouts (1065.09989s) stopped
T01 >> 1462346498.70470405 Calculate projections (976.68988s) started
T01 << 1462346501.22814798 Calculate projections (979.21332s) stopped
T01 << 1462346501.22858691 LCAO eigensolver (3106.21409s) stopped
T01 >> 1462346501.22930694 Density (761.07122s) started
T01 >> 1462346501.22931910 Pseudo density (629.17297s) started
T01 >> 1462346501.22977400 Calculate density matrix (565.63662s) started
T01 << 1462346502.76474094 Calculate density matrix (567.17159s) stopped
T01 >> 1462346502.76483607 Construct density (62.65877s) started
T01 << 1462346502.94222689 Construct density (62.83616s) stopped
T01 >> 1462346502.94361711 Symmetrize density (0.01584s) started
T01 << 1462346502.94364810 Symmetrize density (0.01587s) stopped
T01 << 1462346502.94410396 Pseudo density (630.88775s) stopped
T01 >> 1462346502.94412303 Atomic density matrices (87.22115s) started
T01 << 1462346503.18323898 Atomic density matrices (87.46027s) stopped
T01 >> 1462346503.18327999 Multipole moments (1.41320s) started
T01 << 1462346503.18725109 Multipole moments (1.41717s) stopped
T01 >> 1462346503.18727303 Normalize (0.38630s) started
T01 << 1462346503.18838811 Normalize (0.38741s) stopped
T01 >> 1462346503.18842292 Mix (42.85362s) started
T01 << 1462346503.30807495 Mix (42.97328s) stopped
T01 << 1462346503.30813789 Density (763.15005s) stopped
T01 >> 1462346503.30821800 Hamiltonian (8652.90884s) started
T01 >> 1462346503.30823708 vbar (4.96008s) started
T01 << 1462346503.32458305 vbar (4.97643s) stopped
T01 >> 1462346503.32464695 XC 3D grid (3757.99566s) started
T01 >> 1462346503.50353193 van der Waals (3626.89286s) started
T01 >> 1462346503.54835200 semilocal (819.62363s) started
T01 << 1462346505.76976609 semilocal (821.84504s) stopped
T01 >> 1462346505.80088401 redistribute (403.86422s) started
T01 << 1462346506.17458010 redistribute (404.23792s) stopped
T01 >> 1462346506.17465210 libvdwxc nonlocal (2375.74448s) started
T01 << 1462346512.87541795 libvdwxc nonlocal (2382.44525s) stopped
T01 >> 1462346512.87548900 redistribute (404.23796s) started
T01 << 1462346513.52680802 redistribute (404.88928s) stopped
T01 << 1462346513.52796698 van der Waals (3636.91730s) stopped
T01 << 1462346513.71151996 XC 3D grid (3768.38253s) stopped
T01 >> 1462346513.71157098 Poisson (780.86767s) started
T01 << 1462346515.48971295 Poisson (782.64582s) stopped
T01 >> 1462346515.48981190 Hartree integrate/restrict (29.69826s) started
T01 << 1462346515.50856209 Hartree integrate/restrict (29.71701s) stopped
T01 >> 1462346515.50870109 Hartree integrate/restrict (29.71711s) started
T01 << 1462346515.57126307 Hartree integrate/restrict (29.77967s) stopped
T01 >> 1462346515.59408092 Atomic (2313.91315s) started
T01 >> 1462346515.60465598 XC Correction (2309.18507s) started
T01 << 1462346522.04840493 XC Correction (2315.62882s) stopped
T01 << 1462346522.05154490 Atomic (2320.37061s) stopped
T01 >> 1462346522.05169606 Communicate (1757.62392s) started
T01 << 1462346526.87283206 Communicate (1762.44506s) stopped
T01 << 1462346526.87285900 Hamiltonian (8676.47348s) stopped
T01 >> 1462346526.87295103 LCAO eigensolver (3106.21411s) started
T01 >> 1462346526.87296391 Potential matrix (99.25249s) started
T01 << 1462346527.13468599 Potential matrix (99.51421s) stopped
T01 >> 1462346527.13475990 DistributedAtomicCorrection (514.70695s) started
T01 << 1462346528.49687099 DistributedAtomicCorrection (516.06906s) stopped
T01 >> 1462346528.49695611 Distribute overlap matrix (447.61644s) started
T01 >> 1462346528.49697900 blocked summation (424.41538s) started
T01 << 1462346529.53694892 blocked summation (425.45535s) stopped
T01 >> 1462346529.53870296 Scalapack redistribute (22.62270s) started
T01 << 1462346529.59719491 Scalapack redistribute (22.68119s) stopped
T01 << 1462346529.59727502 Distribute overlap matrix (448.71676s) stopped
T01 >> 1462346529.59785509 Blacs Orbital Layouts (1065.09992s) started
T01 >> 1462346529.59914207 General diagonalize (1043.97069s) started
T01 << 1462346532.27928495 General diagonalize (1046.65083s) stopped
T01 >> 1462346532.27935004 Redistribute coefs (1.12956s) started
T01 << 1462346532.28298497 Redistribute coefs (1.13320s) stopped
T01 >> 1462346532.28303409 Send coefs to domains (19.41466s) started
T01 << 1462346532.33243489 Send coefs to domains (19.46406s) stopped
T01 << 1462346532.33272004 Blacs Orbital Layouts (1067.83478s) stopped
T01 >> 1462346532.33277702 Calculate projections (979.21337s) started
T01 << 1462346534.85624909 Calculate projections (981.73685s) stopped
T01 << 1462346534.85652304 LCAO eigensolver (3114.19768s) stopped
T01 << 1462346534.85722494 SCF-cycle (12554.13989s) stopped
T01 >> 1462346535.70178199 Force calculation (564.00753s) started
T01 >> 1462346535.70184398 LCAO forces (358.18582s) started
T01 >> 1462346535.70219803 Initial (0.00042s) started
T01 << 1462346535.70220900 Initial (0.00043s) stopped
T01 >> 1462346535.70641899 Get density matrix (69.41909s) started
T01 << 1462346536.30826211 Get density matrix (70.02093s) stopped
T01 >> 1462346536.30832601 Potential (25.70251s) started
T01 << 1462346537.68588591 Potential (27.08007s) stopped
T01 >> 1462346537.68594909 Get density matrix (70.02097s) started
T01 << 1462346540.93967509 Get density matrix (73.27470s) stopped
T01 >> 1462346540.93979311 Prepare TCI loop (35.88077s) started
T01 >> 1462346540.94026089 Get neighbors (31.97854s) started
T01 << 1462346542.79625702 Get neighbors (33.83454s) stopped
T01 >> 1462346542.79648709 broadcast dH (3.88941s) started
T01 << 1462346542.87226200 broadcast dH (3.96519s) stopped
T01 << 1462346542.87230611 Prepare TCI loop (37.81328s) stopped
T01 >> 1462346542.87232494 Not so complicated loop (50.23754s) started
T01 << 1462346545.58169103 Not so complicated loop (52.94691s) stopped
T01 >> 1462346545.71065593 Complicated loop (174.49118s) started
T01 << 1462346555.19285607 Complicated loop (183.97338s) stopped
T01 >> 1462346555.20496511 Wait for sum (0.00104s) started
T01 << 1462346555.20500493 Wait for sum (0.00108s) stopped
T01 << 1462346555.20501804 LCAO forces (377.68900s) stopped
T01 << 1462346567.46760011 Force calculation (595.77335s) stopped
T01 >> 1462346567.48560095 Initialization (995.66255s) started
T01 << 1462346567.48579502 Initialization (995.66274s) stopped
T01 >> 1462346567.48604798 Initialization (995.66276s) started
T01 << 1462346567.48618007 Initialization (995.66289s) stopped
T01 >> 1462346567.48631692 Initialization (995.66291s) started
T01 << 1462346567.48645210 Initialization (995.66304s) stopped
T01 >> 1462346587.80695796 Initialization (995.66306s) started
T01 >> 1462346587.90114594 Basic WFS set positions (1.91362s) started
T01 >> 1462346587.90117407 Redistribute (0.03768s) started
T01 << 1462346587.90131688 Redistribute (0.03782s) stopped
T01 << 1462346587.99682093 Basic WFS set positions (2.00929s) stopped
T01 >> 1462346587.99684811 Basis functions set positions (8.35761s) started
T01 << 1462346588.40143204 Basis functions set positions (8.76220s) stopped
T01 >> 1462346588.40264511 TCI: Calculate S, T, P (296.71698s) started
T01 << 1462346603.74421692 TCI: Calculate S, T, P (312.05855s) stopped
T01 >> 1462346603.74431396 blocked summation (79.41488s) started
T01 << 1462346607.18472290 blocked summation (82.85529s) stopped
T01 >> 1462346607.18631411 Scalapack redistribute (4.39651s) started
T01 << 1462346607.24738002 Scalapack redistribute (4.45758s) stopped
T01 >> 1462346607.24790502 blocked summation (82.85533s) started
T01 << 1462346607.41405392 blocked summation (83.02148s) stopped
T01 >> 1462346607.41580009 Scalapack redistribute (4.45764s) started
T01 << 1462346607.61402392 Scalapack redistribute (4.65587s) stopped
T01 >> 1462346607.61530995 Redistribute (0.03840s) started
T01 << 1462346607.61630392 Redistribute (0.03940s) stopped
T01 >> 1462346608.51660299 Redistribute (0.03941s) started
T01 << 1462346608.51762605 Redistribute (0.04044s) stopped
T01 >> 1462346608.52828503 LCAO WFS Initialize (583.20025s) started
T01 >> 1462346608.52831197 Density initialize from wavefunctions (22.92498s) started
T01 >> 1462346608.52872300 Calculate density matrix (13.33980s) started
T01 << 1462346609.22507501 Calculate density matrix (14.03616s) stopped
T01 >> 1462346609.22514200 Construct density (3.24645s) started
T01 << 1462346609.39993596 Construct density (3.42125s) stopped
T01 >> 1462346609.40154004 Symmetrize density (0.00080s) started
T01 << 1462346609.40157104 Symmetrize density (0.00083s) stopped
T01 << 1462346609.74151993 Density initialize from wavefunctions (24.13819s) stopped
T01 >> 1462346609.74214506 Hamiltonian (560.06901s) started
T01 >> 1462346609.74218106 vbar (0.27499s) started
T01 << 1462346609.75845599 vbar (0.29126s) stopped
T01 >> 1462346609.75851893 XC 3D grid (204.42038s) started
T01 >> 1462346609.93625689 van der Waals (197.30426s) started
T01 >> 1462346609.98043489 semilocal (44.36663s) started
T01 << 1462346612.20371389 semilocal (46.58991s) stopped
T01 >> 1462346612.23654103 redistribute (21.87863s) started
T01 << 1462346612.61089206 redistribute (22.25298s) stopped
T01 >> 1462346612.61094189 libvdwxc nonlocal (129.55850s) started
T01 << 1462346619.33336806 libvdwxc nonlocal (136.28093s) stopped
T01 >> 1462346619.33342600 redistribute (22.25302s) started
T01 << 1462346619.96629190 redistribute (22.88589s) stopped
T01 << 1462346619.96767306 van der Waals (207.33568s) stopped
T01 << 1462346620.14673400 XC 3D grid (214.80859s) stopped
T01 >> 1462346620.14678001 Poisson (95.42668s) started
T01 << 1462346624.86710095 Poisson (100.14700s) stopped
T01 >> 1462346624.86718702 Hartree integrate/restrict (1.59973s) started
T01 << 1462346624.88629389 Hartree integrate/restrict (1.61884s) stopped
T01 >> 1462346624.88638496 Hartree integrate/restrict (1.61891s) started
T01 << 1462346624.94826007 Hartree integrate/restrict (1.68078s) stopped
T01 >> 1462346624.96767402 Atomic (132.82082s) started
T01 >> 1462346624.97819710 XC Correction (132.55899s) started
T01 << 1462346631.85488605 XC Correction (139.43568s) stopped
T01 << 1462346631.85805392 Atomic (139.71120s) stopped
T01 >> 1462346631.85831594 Communicate (125.08086s) started
T01 << 1462346637.69476104 Communicate (130.91731s) stopped
T01 << 1462346637.69478989 Hamiltonian (588.02165s) stopped
T01 << 1462346637.69484496 LCAO WFS Initialize (612.36681s) stopped
T01 << 1462346637.70721102 Initialization (1045.56331s) stopped
T01 >> 1462346637.73242593 SCF-cycle (12554.13991s) started
T01 >> 1462346637.73246598 LCAO eigensolver (3114.19770s) started
T01 >> 1462346637.73247790 Potential matrix (99.51425s) started
T01 << 1462346637.99107194 Potential matrix (99.77285s) stopped
T01 >> 1462346637.99114799 DistributedAtomicCorrection (516.06910s) started
T01 << 1462346639.32492089 DistributedAtomicCorrection (517.40287s) stopped
T01 >> 1462346639.32500410 Distribute overlap matrix (448.71677s) started
T01 >> 1462346639.32502699 blocked summation (425.45539s) started
T01 << 1462346640.41026402 blocked summation (426.54063s) stopped
T01 >> 1462346640.41184211 Scalapack redistribute (22.68123s) started
T01 << 1462346640.46846509 Scalapack redistribute (22.73785s) stopped
T01 << 1462346640.46854711 Distribute overlap matrix (449.86032s) stopped
T01 >> 1462346640.46912599 Blacs Orbital Layouts (1067.83480s) started
T01 >> 1462346640.47015309 General diagonalize (1046.65087s) started
T01 << 1462346643.17454290 General diagonalize (1049.35526s) stopped
T01 >> 1462346643.17459393 Redistribute coefs (1.13324s) started
T01 << 1462346643.17752409 Redistribute coefs (1.13617s) stopped
T01 >> 1462346643.17756796 Send coefs to domains (19.46411s) started
T01 << 1462346643.22830391 Send coefs to domains (19.51484s) stopped
T01 << 1462346643.22836208 Blacs Orbital Layouts (1070.59404s) stopped
T01 >> 1462346643.22838497 Calculate projections (981.73690s) started
T01 << 1462346645.75183201 Calculate projections (984.26035s) stopped
T01 << 1462346645.75191092 LCAO eigensolver (3122.21715s) stopped
T01 >> 1462346645.75256300 Density (763.15006s) started
T01 >> 1462346645.75257611 Pseudo density (630.88777s) started
T01 >> 1462346645.75297403 Calculate density matrix (567.17164s) started
T01 << 1462346647.27501702 Calculate density matrix (568.69368s) stopped
T01 >> 1462346647.27508307 Construct density (62.83619s) started
T01 << 1462346647.45052910 Construct density (63.01164s) stopped
T01 >> 1462346647.45194888 Symmetrize density (0.01589s) started
T01 << 1462346647.45198202 Symmetrize density (0.01592s) stopped
T01 << 1462346647.45242691 Pseudo density (632.58762s) stopped
T01 >> 1462346647.45244694 Atomic density matrices (87.46030s) started
T01 << 1462346647.69682598 Atomic density matrices (87.70467s) stopped
T01 >> 1462346647.69686699 Multipole moments (1.41718s) started
T01 << 1462346647.70079207 Multipole moments (1.42111s) stopped
T01 >> 1462346647.70081496 Normalize (0.38744s) started
T01 << 1462346647.70186901 Normalize (0.38849s) stopped
T01 >> 1462346647.70190406 Mix (42.97334s) started
T01 << 1462346647.80792403 Mix (43.07936s) stopped
T01 << 1462346647.80803609 Density (765.20553s) stopped
T01 >> 1462346647.80813909 Hamiltonian (8676.47349s) started
T01 >> 1462346647.80815792 vbar (4.97646s) started
T01 << 1462346647.82429600 vbar (4.99260s) stopped
T01 >> 1462346647.82438898 XC 3D grid (3768.38257s) started
T01 >> 1462346647.99476004 van der Waals (3636.91734s) started
T01 >> 1462346648.03875494 semilocal (821.84516s) started
T01 << 1462346650.22197008 semilocal (824.02837s) stopped
T01 >> 1462346650.25775003 redistribute (404.88932s) started
T01 << 1462346650.69057107 redistribute (405.32214s) stopped
T01 >> 1462346650.69063807 libvdwxc nonlocal (2382.44530s) started
T01 << 1462346657.36745501 libvdwxc nonlocal (2389.12211s) stopped
T01 >> 1462346657.36752605 redistribute (405.32218s) started
T01 << 1462346658.00998998 redistribute (405.96465s) stopped
T01 << 1462346658.01121306 van der Waals (3646.93379s) stopped
T01 << 1462346658.19350910 XC 3D grid (3778.75169s) stopped
T01 >> 1462346658.19356990 Poisson (782.64589s) started
T01 << 1462346659.98840499 Poisson (784.44073s) stopped
T01 >> 1462346659.98852205 Hartree integrate/restrict (29.77973s) started
T01 << 1462346660.00735402 Hartree integrate/restrict (29.79856s) stopped
T01 >> 1462346660.00748396 Hartree integrate/restrict (29.79865s) started
T01 << 1462346660.07011104 Hartree integrate/restrict (29.86128s) stopped
T01 >> 1462346660.09165812 Atomic (2320.37063s) started
T01 >> 1462346660.10186291 XC Correction (2315.62884s) started
T01 << 1462346666.92894411 XC Correction (2322.45593s) stopped
T01 << 1462346666.93202209 Atomic (2327.21099s) stopped
T01 >> 1462346666.93217397 Communicate (1762.44508s) started
T01 << 1462346672.17194104 Communicate (1767.68484s) stopped
T01 << 1462346672.17196989 Hamiltonian (8700.83732s) stopped
T01 >> 1462346672.17206597 LCAO eigensolver (3122.21716s) started
T01 >> 1462346672.17208004 Potential matrix (99.77289s) started
T01 << 1462346672.43109298 Potential matrix (100.03190s) stopped
T01 >> 1462346672.43116808 DistributedAtomicCorrection (517.40291s) started
T01 << 1462346673.76620412 DistributedAtomicCorrection (518.73794s) stopped
T01 >> 1462346673.76628590 Distribute overlap matrix (449.86033s) started
T01 >> 1462346673.76630902 blocked summation (426.54067s) started
T01 << 1462346674.84972906 blocked summation (427.62409s) stopped
T01 >> 1462346674.85122991 Scalapack redistribute (22.73788s) started
T01 << 1462346674.90927911 Scalapack redistribute (22.79593s) stopped
T01 << 1462346674.90935802 Distribute overlap matrix (451.00340s) stopped
T01 >> 1462346674.90993404 Blacs Orbital Layouts (1070.59405s) started
T01 >> 1462346674.91111588 General diagonalize (1049.35530s) started
T01 << 1462346677.63847804 General diagonalize (1052.08266s) stopped
T01 >> 1462346677.63854098 Redistribute coefs (1.13620s) started
T01 << 1462346677.64138889 Redistribute coefs (1.13905s) stopped
T01 >> 1462346677.64147305 Send coefs to domains (19.51489s) started
T01 << 1462346677.69270301 Send coefs to domains (19.56612s) stopped
T01 << 1462346677.69275689 Blacs Orbital Layouts (1073.37687s) stopped
T01 >> 1462346677.69280291 Calculate projections (984.26040s) started
T01 << 1462346680.21616793 Calculate projections (986.78377s) stopped
T01 << 1462346680.21624804 LCAO eigensolver (3130.26134s) stopped
T01 >> 1462346680.21691799 Density (765.20555s) started
T01 >> 1462346680.21692991 Pseudo density (632.58763s) started
T01 >> 1462346680.21733093 Calculate density matrix (568.69372s) started
T01 << 1462346681.75633693 Calculate density matrix (570.23273s) stopped
T01 >> 1462346681.75640106 Construct density (63.01168s) started
T01 << 1462346681.93235493 Construct density (63.18763s) stopped
T01 >> 1462346681.93375897 Symmetrize density (0.01593s) started
T01 << 1462346681.93379307 Symmetrize density (0.01596s) stopped
T01 << 1462346681.93423295 Pseudo density (634.30494s) stopped
T01 >> 1462346681.93425298 Atomic density matrices (87.70470s) started
T01 << 1462346682.17748904 Atomic density matrices (87.94794s) stopped
T01 >> 1462346682.17752910 Multipole moments (1.42112s) started
T01 << 1462346682.18143797 Multipole moments (1.42503s) stopped
T01 >> 1462346682.18146110 Normalize (0.38852s) started
T01 << 1462346682.18252206 Normalize (0.38958s) stopped
T01 >> 1462346682.18255806 Mix (43.07946s) started
T01 << 1462346682.29165292 Mix (43.18856s) stopped
T01 << 1462346682.29177189 Density (767.28041s) stopped
T01 >> 1462346682.29187298 Hamiltonian (8700.83734s) started
T01 >> 1462346682.29189110 vbar (4.99266s) started
T01 << 1462346682.30797005 vbar (5.00873s) stopped
T01 >> 1462346682.30806804 XC 3D grid (3778.75174s) started
T01 >> 1462346682.48375392 van der Waals (3646.93384s) started
T01 >> 1462346682.52883410 semilocal (824.02848s) started
T01 << 1462346684.76692891 semilocal (826.26658s) stopped
T01 >> 1462346684.80064392 redistribute (405.96469s) started
T01 << 1462346685.17899609 redistribute (406.34304s) stopped
T01 >> 1462346685.17906189 libvdwxc nonlocal (2389.12217s) started
T01 << 1462346691.87997007 libvdwxc nonlocal (2395.82308s) stopped
T01 >> 1462346691.88004804 redistribute (406.34308s) started
T01 << 1462346692.52676892 redistribute (406.98980s) stopped
T01 << 1462346692.52793288 van der Waals (3656.97802s) stopped
T01 << 1462346692.70680594 XC 3D grid (3789.15047s) stopped
T01 >> 1462346692.70685697 Poisson (784.44082s) started
T01 << 1462346695.09357095 Poisson (786.82753s) stopped
T01 >> 1462346695.09366703 Hartree integrate/restrict (29.86134s) started
T01 << 1462346695.11281610 Hartree integrate/restrict (29.88049s) stopped
T01 >> 1462346695.11288595 Hartree integrate/restrict (29.88054s) started
T01 << 1462346695.17532897 Hartree integrate/restrict (29.94299s) stopped
T01 >> 1462346695.19434810 Atomic (2327.21101s) started
T01 >> 1462346695.20447206 XC Correction (2322.45595s) started
T01 << 1462346701.73795390 XC Correction (2328.98943s) stopped
T01 << 1462346701.74106693 Atomic (2333.75773s) stopped
T01 >> 1462346701.74122190 Communicate (1767.68486s) started
T01 << 1462346706.69505000 Communicate (1772.63869s) stopped
T01 << 1462346706.69507694 Hamiltonian (8725.24054s) stopped
T01 >> 1462346706.69517207 LCAO eigensolver (3130.26135s) started
T01 >> 1462346706.69518495 Potential matrix (100.03194s) started
T01 << 1462346706.95501709 Potential matrix (100.29177s) stopped
T01 >> 1462346706.95509100 DistributedAtomicCorrection (518.73798s) started
T01 << 1462346708.28863192 DistributedAtomicCorrection (520.07152s) stopped
T01 >> 1462346708.28871894 Distribute overlap matrix (451.00341s) started
T01 >> 1462346708.28874111 blocked summation (427.62414s) started
T01 << 1462346709.37892699 blocked summation (428.71432s) stopped
T01 >> 1462346709.38042998 Scalapack redistribute (22.79597s) started
T01 << 1462346709.44075894 Scalapack redistribute (22.85630s) stopped
T01 << 1462346709.44083810 Distribute overlap matrix (452.15553s) stopped
T01 >> 1462346709.44139600 Blacs Orbital Layouts (1073.37688s) started
T01 >> 1462346709.44257808 General diagonalize (1052.08270s) started
T01 << 1462346712.15550995 General diagonalize (1054.79563s) stopped
T01 >> 1462346712.15557504 Redistribute coefs (1.13908s) started
T01 << 1462346712.15846992 Redistribute coefs (1.14198s) stopped
T01 >> 1462346712.15855098 Send coefs to domains (19.56616s) started
T01 << 1462346712.20964003 Send coefs to domains (19.61725s) stopped
T01 << 1462346712.20973897 Blacs Orbital Layouts (1076.14523s) stopped
T01 >> 1462346712.20978808 Calculate projections (986.78382s) started
T01 << 1462346714.73301792 Calculate projections (989.30705s) stopped
T01 << 1462346714.73309708 LCAO eigensolver (3138.29928s) stopped
T01 >> 1462346714.73381805 Density (767.28043s) started
T01 >> 1462346714.73383093 Pseudo density (634.30495s) started
T01 >> 1462346714.73422599 Calculate density matrix (570.23277s) started
T01 << 1462346716.27271390 Calculate density matrix (571.77126s) stopped
T01 >> 1462346716.27279592 Construct density (63.18767s) started
T01 << 1462346716.44828391 Construct density (63.36316s) stopped
T01 >> 1462346716.44972110 Symmetrize density (0.01598s) started
T01 << 1462346716.44975209 Symmetrize density (0.01601s) stopped
T01 << 1462346716.45019102 Pseudo density (636.02131s) stopped
T01 >> 1462346716.45021009 Atomic density matrices (87.94797s) started
T01 << 1462346716.69333196 Atomic density matrices (88.19109s) stopped
T01 >> 1462346716.69337392 Multipole moments (1.42505s) started
T01 << 1462346716.69723892 Multipole moments (1.42891s) stopped
T01 >> 1462346716.69726110 Normalize (0.38960s) started
T01 << 1462346716.69829702 Normalize (0.39064s) stopped
T01 >> 1462346716.69833207 Mix (43.18867s) started
T01 << 1462346716.81169391 Mix (43.30203s) stopped
T01 << 1462346716.81179500 Density (769.35840s) stopped
T01 >> 1462346716.81187892 Hamiltonian (8725.24055s) started
T01 >> 1462346716.81189895 vbar (5.00879s) started
T01 << 1462346716.82783294 vbar (5.02472s) stopped
T01 >> 1462346716.82794499 XC 3D grid (3789.15051s) started
T01 >> 1462346716.99795794 van der Waals (3656.97807s) started
T01 >> 1462346717.04269600 semilocal (826.26666s) started
T01 << 1462346719.25022411 semilocal (828.47419s) stopped
T01 >> 1462346719.28399992 redistribute (406.98985s) started
T01 << 1462346719.68773103 redistribute (407.39358s) stopped
T01 >> 1462346719.68779802 libvdwxc nonlocal (2395.82313s) started
T01 << 1462346726.39299202 libvdwxc nonlocal (2402.52832s) stopped
T01 >> 1462346726.39307404 redistribute (407.39362s) started
T01 << 1462346727.03640890 redistribute (408.03695s) stopped
T01 << 1462346727.03768396 van der Waals (3667.01779s) stopped
T01 << 1462346727.22058392 XC 3D grid (3799.54315s) stopped
T01 >> 1462346727.22063398 Poisson (786.82760s) started
T01 << 1462346729.60326600 Poisson (789.21024s) stopped
T01 >> 1462346729.60333490 Hartree integrate/restrict (29.94302s) started
T01 << 1462346729.62215090 Hartree integrate/restrict (29.96184s) stopped
T01 >> 1462346729.62222409 Hartree integrate/restrict (29.96189s) started
T01 << 1462346729.68953609 Hartree integrate/restrict (30.02920s) stopped
T01 >> 1462346729.70875192 Atomic (2333.75774s) started
T01 >> 1462346729.71882010 XC Correction (2328.98946s) started
T01 << 1462346735.99108911 XC Correction (2335.26173s) stopped
T01 << 1462346735.99422598 Atomic (2340.04322s) stopped
T01 >> 1462346735.99437904 Communicate (1772.63871s) started
T01 << 1462346740.81441212 Communicate (1777.45874s) stopped
T01 << 1462346740.81444001 Hamiltonian (8749.24311s) stopped
T01 >> 1462346740.81453609 LCAO eigensolver (3138.29929s) started
T01 >> 1462346740.81454992 Potential matrix (100.29181s) started
T01 << 1462346741.07314897 Potential matrix (100.55041s) stopped
T01 >> 1462346741.07322311 DistributedAtomicCorrection (520.07156s) started
T01 << 1462346742.41594100 DistributedAtomicCorrection (521.41428s) stopped
T01 >> 1462346742.41602302 Distribute overlap matrix (452.15554s) started
T01 >> 1462346742.41604495 blocked summation (428.71437s) started
T01 << 1462346743.49609590 blocked summation (429.79442s) stopped
T01 >> 1462346743.49760699 Scalapack redistribute (22.85634s) started
T01 << 1462346743.55562305 Scalapack redistribute (22.91435s) stopped
T01 << 1462346743.55570412 Distribute overlap matrix (453.29522s) stopped
T01 >> 1462346743.55626202 Blacs Orbital Layouts (1076.14524s) started
T01 >> 1462346743.55735302 General diagonalize (1054.79567s) started
T01 << 1462346746.27028990 General diagonalize (1057.50861s) stopped
T01 >> 1462346746.27035594 Redistribute coefs (1.14201s) started
T01 << 1462346746.27305603 Redistribute coefs (1.14471s) stopped
T01 >> 1462346746.27313495 Send coefs to domains (19.61734s) started
T01 << 1462346746.32322693 Send coefs to domains (19.66743s) stopped
T01 << 1462346746.32327795 Blacs Orbital Layouts (1078.91225s) stopped
T01 >> 1462346746.32332802 Calculate projections (989.30710s) started
T01 << 1462346748.84680700 Calculate projections (991.83058s) stopped
T01 << 1462346748.84688711 LCAO eigensolver (3146.33164s) stopped
T01 >> 1462346748.84763694 Density (769.35842s) started
T01 >> 1462346748.84765005 Pseudo density (636.02133s) started
T01 >> 1462346748.84804296 Calculate density matrix (571.77130s) started
T01 << 1462346750.38185811 Calculate density matrix (573.30511s) stopped
T01 >> 1462346750.38193989 Construct density (63.36319s) started
T01 << 1462346750.55730700 Construct density (63.53856s) stopped
T01 >> 1462346750.55870390 Symmetrize density (0.01602s) started
T01 << 1462346750.55873609 Symmetrize density (0.01605s) stopped
T01 << 1462346750.55918097 Pseudo density (637.73286s) stopped
T01 >> 1462346750.55920005 Atomic density matrices (88.19112s) started
T01 << 1462346750.80250192 Atomic density matrices (88.43442s) stopped
T01 >> 1462346750.80254292 Multipole moments (1.42893s) started
T01 << 1462346750.80644011 Multipole moments (1.43283s) stopped
T01 >> 1462346750.80646300 Normalize (0.39066s) started
T01 << 1462346750.80749393 Normalize (0.39170s) stopped
T01 >> 1462346750.80752993 Mix (43.30213s) started
T01 << 1462346750.92292309 Mix (43.41753s) stopped
T01 << 1462346750.92297411 Density (771.43376s) stopped
T01 >> 1462346750.92305398 Hamiltonian (8749.24313s) started
T01 >> 1462346750.92307305 vbar (5.02479s) started
T01 << 1462346750.93956399 vbar (5.04128s) stopped
T01 >> 1462346750.93962908 XC 3D grid (3799.54319s) started
T01 >> 1462346751.11785412 van der Waals (3667.01785s) started
T01 >> 1462346751.16111588 semilocal (828.47433s) started
T01 << 1462346753.37309194 semilocal (830.68630s) stopped
T01 >> 1462346753.40528297 redistribute (408.03700s) started
T01 << 1462346753.78637600 redistribute (408.41809s) stopped
T01 >> 1462346753.78644204 libvdwxc nonlocal (2402.52838s) started
T01 << 1462346760.48410392 libvdwxc nonlocal (2409.22604s) stopped
T01 >> 1462346760.48417997 redistribute (408.41813s) started
T01 << 1462346761.12689495 redistribute (409.06084s) stopped
T01 << 1462346761.12814403 van der Waals (3677.02814s) stopped
T01 << 1462346761.30832601 XC 3D grid (3809.91189s) stopped
T01 >> 1462346761.30839300 Poisson (789.21029s) started
T01 << 1462346763.68980002 Poisson (791.59169s) stopped
T01 >> 1462346763.68993902 Hartree integrate/restrict (30.02925s) started
T01 << 1462346763.70888090 Hartree integrate/restrict (30.04819s) stopped
T01 >> 1462346763.70903206 Hartree integrate/restrict (30.04830s) started
T01 << 1462346763.77104306 Hartree integrate/restrict (30.11031s) stopped
T01 >> 1462346763.79330611 Atomic (2340.04323s) started
T01 >> 1462346763.80339289 XC Correction (2335.26175s) started
T01 << 1462346770.12960505 XC Correction (2341.58796s) stopped
T01 << 1462346770.13274789 Atomic (2346.38268s) stopped
T01 >> 1462346770.13289905 Communicate (1777.45876s) started
T01 << 1462346774.90534401 Communicate (1782.23121s) stopped
T01 << 1462346774.90537310 Hamiltonian (8773.22545s) stopped
T01 >> 1462346774.90546894 LCAO eigensolver (3146.33166s) started
T01 >> 1462346774.90548301 Potential matrix (100.55045s) started
T01 << 1462346775.16507697 Potential matrix (100.81004s) stopped
T01 >> 1462346775.16514993 DistributedAtomicCorrection (521.41432s) started
T01 << 1462346776.51220107 DistributedAtomicCorrection (522.76137s) stopped
T01 >> 1462346776.51228309 Distribute overlap matrix (453.29523s) started
T01 >> 1462346776.51230502 blocked summation (429.79446s) started
T01 << 1462346777.56057405 blocked summation (430.84273s) stopped
T01 >> 1462346777.56207895 Scalapack redistribute (22.91439s) started
T01 << 1462346777.62006593 Scalapack redistribute (22.97237s) stopped
T01 << 1462346777.62017202 Distribute overlap matrix (454.40312s) stopped
T01 >> 1462346777.62073803 Blacs Orbital Layouts (1078.91227s) started
T01 >> 1462346777.62209606 General diagonalize (1057.50865s) started
T01 << 1462346780.33163309 General diagonalize (1060.21819s) stopped
T01 >> 1462346780.33170104 Redistribute coefs (1.14475s) started
T01 << 1462346780.33443594 Redistribute coefs (1.14748s) stopped
T01 >> 1462346780.33451796 Send coefs to domains (19.66747s) started
T01 << 1462346780.38571501 Send coefs to domains (19.71867s) stopped
T01 << 1462346780.38609505 Blacs Orbital Layouts (1081.67762s) stopped
T01 >> 1462346780.38614893 Calculate projections (991.83063s) started
T01 << 1462346782.90953302 Calculate projections (994.35402s) stopped
T01 << 1462346782.90961504 LCAO eigensolver (3154.33580s) stopped
T01 >> 1462346782.91036296 Density (771.43377s) started
T01 >> 1462346782.91037607 Pseudo density (637.73287s) started
T01 >> 1462346782.91077089 Calculate density matrix (573.30515s) started
T01 << 1462346784.44806910 Calculate density matrix (574.84245s) stopped
T01 >> 1462346784.44814992 Construct density (63.53860s) started
T01 << 1462346784.62401009 Construct density (63.71446s) stopped
T01 >> 1462346784.62540698 Symmetrize density (0.01606s) started
T01 << 1462346784.62543797 Symmetrize density (0.01609s) stopped
T01 << 1462346784.62588692 Pseudo density (639.44838s) stopped
T01 >> 1462346784.62590694 Atomic density matrices (88.43445s) started
T01 << 1462346784.87040591 Atomic density matrices (88.67895s) stopped
T01 >> 1462346784.87044811 Multipole moments (1.43284s) started
T01 << 1462346784.87432289 Multipole moments (1.43672s) stopped
T01 >> 1462346784.87434602 Normalize (0.39172s) started
T01 << 1462346784.87538290 Normalize (0.39276s) stopped
T01 >> 1462346784.87541699 Mix (43.41757s) started
T01 << 1462346784.99679899 Mix (43.53896s) stopped
T01 << 1462346784.99688506 Density (773.52029s) stopped
T01 >> 1462346784.99698400 Hamiltonian (8773.22546s) started
T01 >> 1462346784.99700499 vbar (5.04132s) started
T01 << 1462346785.01241112 vbar (5.05672s) stopped
T01 >> 1462346785.01251197 XC 3D grid (3809.91194s) started
T01 >> 1462346785.18393397 van der Waals (3677.02819s) started
T01 >> 1462346785.22965002 semilocal (830.68639s) started
T01 << 1462346787.46253204 semilocal (832.91927s) stopped
T01 >> 1462346787.49733210 redistribute (409.06089s) started
T01 << 1462346787.88263011 redistribute (409.44619s) stopped
T01 >> 1462346787.88269901 libvdwxc nonlocal (2409.22609s) started
T01 << 1462346794.55954003 libvdwxc nonlocal (2415.90293s) stopped
T01 >> 1462346794.55960894 redistribute (409.44623s) started
T01 << 1462346795.21207309 redistribute (410.09870s) stopped
T01 << 1462346795.21325994 van der Waals (3687.05752s) stopped
T01 << 1462346795.39558291 XC 3D grid (3820.29501s) stopped
T01 >> 1462346795.39563107 Poisson (791.59180s) started
T01 << 1462346797.78432202 Poisson (793.98049s) stopped
T01 >> 1462346797.78440189 Hartree integrate/restrict (30.11035s) started
T01 << 1462346797.80324197 Hartree integrate/restrict (30.12919s) stopped
T01 >> 1462346797.80329108 Hartree integrate/restrict (30.12923s) started
T01 << 1462346797.86562705 Hartree integrate/restrict (30.19156s) stopped
T01 >> 1462346797.88854909 Atomic (2346.38269s) started
T01 >> 1462346797.89875388 XC Correction (2341.58799s) started
T01 << 1462346804.28025007 XC Correction (2347.96948s) stopped
T01 << 1462346804.28337693 Atomic (2352.77752s) stopped
T01 >> 1462346804.28352809 Communicate (1782.23123s) started
T01 << 1462346809.06136799 Communicate (1787.00907s) stopped
T01 << 1462346809.06139588 Hamiltonian (8797.28987s) stopped
T01 >> 1462346809.06149006 LCAO eigensolver (3154.33581s) started
T01 >> 1462346809.06150389 Potential matrix (100.81008s) started
T01 << 1462346809.32121205 Potential matrix (101.06979s) stopped
T01 >> 1462346809.32128811 DistributedAtomicCorrection (522.76141s) started
T01 << 1462346810.65942788 DistributedAtomicCorrection (524.09955s) stopped
T01 >> 1462346810.65951109 Distribute overlap matrix (454.40314s) started
T01 >> 1462346810.65953398 blocked summation (430.84277s) started
T01 << 1462346811.74631906 blocked summation (431.92955s) stopped
T01 >> 1462346811.74806190 Scalapack redistribute (22.97244s) started
T01 << 1462346811.80552197 Scalapack redistribute (23.02990s) stopped
T01 << 1462346811.80560589 Distribute overlap matrix (455.54923s) stopped
T01 >> 1462346811.80618596 Blacs Orbital Layouts (1081.67764s) started
T01 >> 1462346811.80733895 General diagonalize (1060.21823s) started
T01 << 1462346814.50211811 General diagonalize (1062.91301s) stopped
T01 >> 1462346814.50218201 Redistribute coefs (1.14752s) started
T01 << 1462346814.50597906 Redistribute coefs (1.15131s) stopped
T01 >> 1462346814.50602698 Send coefs to domains (19.71871s) started
T01 << 1462346814.55549407 Send coefs to domains (19.76818s) stopped
T01 << 1462346814.55576897 Blacs Orbital Layouts (1084.42723s) stopped
T01 >> 1462346814.55582094 Calculate projections (994.35407s) started
T01 << 1462346817.07913208 Calculate projections (996.87738s) stopped
T01 << 1462346817.07940793 LCAO eigensolver (3162.35373s) stopped
T01 >> 1462346817.08011699 Density (773.52031s) started
T01 >> 1462346817.08013010 Pseudo density (639.44840s) started
T01 >> 1462346817.08051991 Calculate density matrix (574.84249s) started
T01 << 1462346818.61991096 Calculate density matrix (576.38188s) stopped
T01 >> 1462346818.62001705 Construct density (63.71450s) started
T01 << 1462346818.79547691 Construct density (63.88996s) stopped
T01 >> 1462346818.79687595 Symmetrize density (0.01610s) started
T01 << 1462346818.79690695 Symmetrize density (0.01614s) stopped
T01 << 1462346818.79735208 Pseudo density (641.16562s) stopped
T01 >> 1462346818.79737210 Atomic density matrices (88.67898s) started
T01 << 1462346819.04174495 Atomic density matrices (88.92335s) stopped
T01 >> 1462346819.04178691 Multipole moments (1.43673s) started
T01 << 1462346819.04567099 Multipole moments (1.44062s) stopped
T01 >> 1462346819.04569507 Normalize (0.39278s) started
T01 << 1462346819.04674602 Normalize (0.39383s) stopped
T01 >> 1462346819.04678106 Mix (43.53904s) started
T01 << 1462346819.16597199 Mix (43.65823s) stopped
T01 << 1462346819.16602302 Density (775.60622s) stopped
T01 >> 1462346819.16611004 Hamiltonian (8797.28988s) started
T01 >> 1462346819.16612792 vbar (5.05678s) started
T01 << 1462346819.18307304 vbar (5.07373s) stopped
T01 >> 1462346819.18314600 XC 3D grid (3820.29505s) started
T01 >> 1462346819.35988212 van der Waals (3687.05757s) started
T01 >> 1462346819.40462589 semilocal (832.91936s) started
T01 << 1462346821.62415791 semilocal (835.13889s) stopped
T01 >> 1462346821.65572405 redistribute (410.09874s) started
T01 << 1462346822.03159094 redistribute (410.47461s) stopped
T01 >> 1462346822.03165698 libvdwxc nonlocal (2415.90297s) started
T01 << 1462346828.71993589 libvdwxc nonlocal (2422.59125s) stopped
T01 >> 1462346828.72001100 redistribute (410.47465s) started
T01 << 1462346829.37401104 redistribute (411.12865s) stopped
T01 << 1462346829.37518311 van der Waals (3697.07287s) stopped
T01 << 1462346829.55513597 XC 3D grid (3830.66704s) stopped
T01 >> 1462346829.55518198 Poisson (793.98055s) started
T01 << 1462346831.94007111 Poisson (796.36544s) stopped
T01 >> 1462346831.94017005 Hartree integrate/restrict (30.19160s) started
T01 << 1462346831.95929003 Hartree integrate/restrict (30.21072s) stopped
T01 >> 1462346831.95937705 Hartree integrate/restrict (30.21078s) started
T01 << 1462346832.02669811 Hartree integrate/restrict (30.27810s) stopped
T01 >> 1462346832.04344702 Atomic (2352.77754s) started
T01 >> 1462346832.05382800 XC Correction (2347.96951s) started
T01 << 1462346838.45333195 XC Correction (2354.36901s) stopped
T01 << 1462346838.45646310 Atomic (2359.19056s) stopped
T01 >> 1462346838.45661807 Communicate (1787.00909s) started
T01 << 1462346843.33596992 Communicate (1791.88844s) stopped
T01 << 1462346843.33599591 Hamiltonian (8821.45977s) stopped
T01 >> 1462346843.33609509 LCAO eigensolver (3162.35375s) started
T01 >> 1462346843.33610797 Potential matrix (101.06983s) started
T01 << 1462346843.59525299 Potential matrix (101.32898s) stopped
T01 >> 1462346843.59532809 DistributedAtomicCorrection (524.09958s) started
T01 << 1462346844.92790103 DistributedAtomicCorrection (525.43216s) stopped
T01 >> 1462346844.92798400 Distribute overlap matrix (455.54924s) started
T01 >> 1462346844.92800689 blocked summation (431.92959s) started
T01 << 1462346846.00130510 blocked summation (433.00289s) stopped
T01 >> 1462346846.00362301 Scalapack redistribute (23.02993s) started
T01 << 1462346846.06206703 Scalapack redistribute (23.08838s) stopped
T01 << 1462346846.06215811 Distribute overlap matrix (456.68342s) stopped
T01 >> 1462346846.06275702 Blacs Orbital Layouts (1084.42724s) started
T01 >> 1462346846.06390309 General diagonalize (1062.91305s) started
T01 << 1462346848.78110504 General diagonalize (1065.63025s) stopped
T01 >> 1462346848.78116894 Redistribute coefs (1.15135s) started
T01 << 1462346848.78435898 Redistribute coefs (1.15454s) stopped
T01 >> 1462346848.78440499 Send coefs to domains (19.76822s) started
T01 << 1462346848.83401489 Send coefs to domains (19.81783s) stopped
T01 << 1462346848.83430004 Blacs Orbital Layouts (1087.19879s) stopped
T01 >> 1462346848.83435202 Calculate projections (996.87744s) started
T01 << 1462346851.35775208 Calculate projections (999.40084s) stopped
T01 << 1462346851.35818696 LCAO eigensolver (3170.37584s) stopped
T01 >> 1462346851.35892510 Density (775.60623s) started
T01 >> 1462346851.35893798 Pseudo density (641.16563s) started
T01 >> 1462346851.35933590 Calculate density matrix (576.38193s) started
T01 << 1462346852.89528894 Calculate density matrix (577.91788s) stopped
T01 >> 1462346852.89537811 Construct density (63.88999s) started
T01 << 1462346853.07082510 Construct density (64.06544s) stopped
T01 >> 1462346853.07223296 Symmetrize density (0.01615s) started
T01 << 1462346853.07226396 Symmetrize density (0.01618s) stopped
T01 << 1462346853.07271791 Pseudo density (642.87941s) stopped
T01 >> 1462346853.07273793 Atomic density matrices (88.92338s) started
T01 << 1462346853.31743789 Atomic density matrices (89.16808s) stopped
T01 >> 1462346853.31747890 Multipole moments (1.44063s) started
T01 << 1462346853.32136011 Multipole moments (1.44451s) stopped
T01 >> 1462346853.32138300 Normalize (0.39386s) started
T01 << 1462346853.32241392 Normalize (0.39489s) stopped
T01 >> 1462346853.32244802 Mix (43.65828s) started
T01 << 1462346853.44233894 Mix (43.77817s) stopped
T01 << 1462346853.44241810 Density (777.68972s) stopped
T01 >> 1462346853.44250703 Hamiltonian (8821.45978s) started
T01 >> 1462346853.44252396 vbar (5.07377s) started
T01 << 1462346853.45941210 vbar (5.09066s) stopped
T01 >> 1462346853.45951891 XC 3D grid (3830.66707s) started
T01 >> 1462346853.64129806 van der Waals (3697.07292s) started
T01 >> 1462346853.68410206 semilocal (835.13897s) started
T01 << 1462346855.92682695 semilocal (837.38170s) stopped
T01 >> 1462346855.95955205 redistribute (411.12869s) started
T01 << 1462346856.33379602 redistribute (411.50294s) stopped
T01 >> 1462346856.33386111 libvdwxc nonlocal (2422.59130s) started
T01 << 1462346863.03619790 libvdwxc nonlocal (2429.29364s) stopped
T01 >> 1462346863.03626299 redistribute (411.50298s) started
T01 << 1462346863.67936611 redistribute (412.14608s) stopped
T01 << 1462346863.68053389 van der Waals (3707.11215s) stopped
T01 << 1462346863.86140704 XC 3D grid (3841.06896s) stopped
T01 >> 1462346863.86147594 Poisson (796.36552s) started
T01 << 1462346865.66774011 Poisson (798.17179s) stopped
T01 >> 1462346865.66786599 Hartree integrate/restrict (30.27814s) started
T01 << 1462346865.68668509 Hartree integrate/restrict (30.29695s) stopped
T01 >> 1462346865.68682098 Hartree integrate/restrict (30.29705s) started
T01 << 1462346865.74855709 Hartree integrate/restrict (30.35878s) stopped
T01 >> 1462346865.77046704 Atomic (2359.19057s) started
T01 >> 1462346865.78089094 XC Correction (2354.36904s) started
T01 << 1462346872.24845695 XC Correction (2360.83660s) stopped
T01 << 1462346872.25158405 Atomic (2365.67169s) stopped
T01 >> 1462346872.25173593 Communicate (1791.88846s) started
T01 << 1462346877.14880109 Communicate (1796.78552s) stopped
T01 << 1462346877.14882803 Hamiltonian (8845.16610s) stopped
T01 >> 1462346877.14892507 LCAO eigensolver (3170.37586s) started
T01 >> 1462346877.14894009 Potential matrix (101.32902s) started
T01 << 1462346877.41144609 Potential matrix (101.59152s) stopped
T01 >> 1462346877.41151905 DistributedAtomicCorrection (525.43220s) started
T01 << 1462346878.74201703 DistributedAtomicCorrection (526.76269s) stopped
T01 >> 1462346878.74210000 Distribute overlap matrix (456.68343s) started
T01 >> 1462346878.74212193 blocked summation (433.00293s) started
T01 << 1462346879.82445002 blocked summation (434.08526s) stopped
T01 >> 1462346879.82598209 Scalapack redistribute (23.08841s) started
T01 << 1462346879.88537407 Scalapack redistribute (23.14781s) stopped
T01 << 1462346879.88546610 Distribute overlap matrix (457.82680s) stopped
T01 >> 1462346879.88605809 Blacs Orbital Layouts (1087.19880s) started
T01 >> 1462346879.88763189 General diagonalize (1065.63029s) started
T01 << 1462346882.59131098 General diagonalize (1068.33397s) stopped
T01 >> 1462346882.59137607 Redistribute coefs (1.15457s) started
T01 << 1462346882.59405088 Redistribute coefs (1.15725s) stopped
T01 >> 1462346882.59414291 Send coefs to domains (19.81787s) started
T01 << 1462346882.64425993 Send coefs to domains (19.86799s) stopped
T01 << 1462346882.64471412 Blacs Orbital Layouts (1089.95746s) stopped
T01 >> 1462346882.64477110 Calculate projections (999.40089s) started
T01 << 1462346885.16808701 Calculate projections (1001.92421s) stopped
T01 << 1462346885.16836095 LCAO eigensolver (3178.39530s) stopped
T01 >> 1462346885.16908002 Density (777.68974s) started
T01 >> 1462346885.16909289 Pseudo density (642.87943s) started
T01 >> 1462346885.16948295 Calculate density matrix (577.91792s) started
T01 << 1462346886.70368791 Calculate density matrix (579.45213s) stopped
T01 >> 1462346886.70377898 Construct density (64.06548s) started
T01 << 1462346886.87957191 Construct density (64.24127s) stopped
T01 >> 1462346886.88098788 Symmetrize density (0.01619s) started
T01 << 1462346886.88102007 Symmetrize density (0.01622s) stopped
T01 << 1462346886.88146305 Pseudo density (644.59180s) stopped
T01 >> 1462346886.88148189 Atomic density matrices (89.16811s) started
T01 << 1462346887.12692595 Atomic density matrices (89.41355s) stopped
T01 >> 1462346887.12696695 Multipole moments (1.44453s) started
T01 << 1462346887.13086605 Multipole moments (1.44843s) stopped
T01 >> 1462346887.13088799 Normalize (0.39491s) started
T01 << 1462346887.13193607 Normalize (0.39596s) stopped
T01 >> 1462346887.13196898 Mix (43.77824s) started
T01 << 1462346887.25241899 Mix (43.89869s) stopped
T01 << 1462346887.25250793 Density (779.77317s) stopped
T01 >> 1462346887.25261092 Hamiltonian (8845.16612s) started
T01 >> 1462346887.25263095 vbar (5.09072s) started
T01 << 1462346887.26909995 vbar (5.10719s) stopped
T01 >> 1462346887.26917195 XC 3D grid (3841.06902s) started
T01 >> 1462346887.44815803 van der Waals (3707.11220s) started
T01 >> 1462346887.49304891 semilocal (837.38177s) started
T01 << 1462346889.73211408 semilocal (839.62084s) stopped
T01 >> 1462346889.76340890 redistribute (412.14612s) started
T01 << 1462346890.13313508 redistribute (412.51585s) stopped
T01 >> 1462346890.13320208 libvdwxc nonlocal (2429.29368s) started
T01 << 1462346896.83204293 libvdwxc nonlocal (2435.99252s) stopped
T01 >> 1462346896.83210802 redistribute (412.51589s) started
T01 << 1462346897.47916698 redistribute (413.16295s) stopped
T01 << 1462346897.48031712 van der Waals (3717.14436s) stopped
T01 << 1462346897.65841508 XC 3D grid (3851.45826s) stopped
T01 >> 1462346897.65847301 Poisson (798.17188s) started
T01 << 1462346899.45725012 Poisson (799.97066s) stopped
T01 >> 1462346899.45736289 Hartree integrate/restrict (30.35882s) started
T01 << 1462346899.47659397 Hartree integrate/restrict (30.37806s) stopped
T01 >> 1462346899.47666502 Hartree integrate/restrict (30.37810s) started
T01 << 1462346899.54456902 Hartree integrate/restrict (30.44600s) stopped
T01 >> 1462346899.56335711 Atomic (2365.67171s) started
T01 >> 1462346899.57367706 XC Correction (2360.83663s) started
T01 << 1462346906.09197211 XC Correction (2367.35492s) stopped
T01 << 1462346906.09509706 Atomic (2372.20345s) stopped
T01 >> 1462346906.09524798 Communicate (1796.78554s) started
T01 << 1462346910.93768501 Communicate (1801.62798s) stopped
T01 << 1462346910.93771291 Hamiltonian (8868.85122s) stopped
T01 >> 1462346910.93781209 LCAO eigensolver (3178.39532s) started
T01 >> 1462346910.93782592 Potential matrix (101.59156s) started
T01 << 1462346911.19894910 Potential matrix (101.85268s) stopped
T01 >> 1462346911.19902301 DistributedAtomicCorrection (526.76273s) started
T01 << 1462346912.53049707 DistributedAtomicCorrection (528.09421s) stopped
T01 >> 1462346912.53058004 Distribute overlap matrix (457.82681s) started
T01 >> 1462346912.53060293 blocked summation (434.08529s) started
T01 << 1462346913.61142993 blocked summation (435.16612s) stopped
T01 >> 1462346913.61284995 Scalapack redistribute (23.14784s) started
T01 << 1462346913.67303896 Scalapack redistribute (23.20803s) stopped
T01 << 1462346913.67313004 Distribute overlap matrix (458.96936s) stopped
T01 >> 1462346913.67370200 Blacs Orbital Layouts (1089.95748s) started
T01 >> 1462346913.67487001 General diagonalize (1068.33401s) started
T01 << 1462346916.39482403 General diagonalize (1071.05396s) stopped
T01 >> 1462346916.39488697 Redistribute coefs (1.15728s) started
T01 << 1462346916.39859390 Redistribute coefs (1.16099s) stopped
T01 >> 1462346916.39863992 Send coefs to domains (19.86803s) started
T01 << 1462346916.44798994 Send coefs to domains (19.91738s) stopped
T01 << 1462346916.44830489 Blacs Orbital Layouts (1092.73208s) stopped
T01 >> 1462346916.44836807 Calculate projections (1001.92426s) started
T01 << 1462346918.97163391 Calculate projections (1004.44752s) stopped
T01 << 1462346918.97171998 LCAO eigensolver (3186.42922s) stopped
T01 >> 1462346918.97243810 Density (779.77319s) started
T01 >> 1462346918.97245097 Pseudo density (644.59181s) started
T01 >> 1462346918.97284603 Calculate density matrix (579.45217s) started
T01 << 1462346920.51447797 Calculate density matrix (580.99380s) stopped
T01 >> 1462346920.51456308 Construct density (64.24131s) started
T01 << 1462346920.69008708 Construct density (64.41683s) stopped
T01 >> 1462346920.69149208 Symmetrize density (0.01623s) started
T01 << 1462346920.69152403 Symmetrize density (0.01626s) stopped
T01 << 1462346920.69197297 Pseudo density (646.31133s) stopped
T01 >> 1462346920.69199300 Atomic density matrices (89.41358s) started
T01 << 1462346920.93763304 Atomic density matrices (89.65922s) stopped
T01 >> 1462346920.93767691 Multipole moments (1.44844s) started
T01 << 1462346920.94157004 Multipole moments (1.45234s) stopped
T01 >> 1462346920.94159198 Normalize (0.39599s) started
T01 << 1462346920.94261599 Normalize (0.39701s) stopped
T01 >> 1462346920.94265103 Mix (43.89878s) started
T01 << 1462346921.06204891 Mix (44.01818s) stopped
T01 << 1462346921.06214595 Density (781.86289s) stopped
T01 >> 1462346921.06224990 Hamiltonian (8868.85123s) started
T01 >> 1462346921.06227112 vbar (5.10723s) started
T01 << 1462346921.07909393 vbar (5.12405s) stopped
T01 >> 1462346921.07920909 XC 3D grid (3851.45831s) started
T01 >> 1462346921.25177693 van der Waals (3717.14441s) started
T01 >> 1462346921.29660201 semilocal (839.62093s) started
T01 << 1462346923.51528811 semilocal (841.83961s) stopped
T01 >> 1462346923.54783607 redistribute (413.16300s) started
T01 << 1462346923.93375802 redistribute (413.54892s) stopped
T01 >> 1462346923.93382311 libvdwxc nonlocal (2435.99256s) started
T01 << 1462346930.61870003 libvdwxc nonlocal (2442.67744s) stopped
T01 >> 1462346930.61876988 redistribute (413.54895s) started
T01 << 1462346931.27295804 redistribute (414.20314s) stopped
T01 << 1462346931.27463603 van der Waals (3727.16727s) stopped
T01 << 1462346931.45271611 XC 3D grid (3861.83181s) stopped
T01 >> 1462346931.45276594 Poisson (799.97075s) started
T01 << 1462346933.25881410 Poisson (801.77680s) stopped
T01 >> 1462346933.25888491 Hartree integrate/restrict (30.44609s) started
T01 << 1462346933.27760601 Hartree integrate/restrict (30.46481s) stopped
T01 >> 1462346933.27768207 Hartree integrate/restrict (30.46486s) started
T01 << 1462346933.34604502 Hartree integrate/restrict (30.53322s) stopped
T01 >> 1462346933.36432099 Atomic (2372.20346s) started
T01 >> 1462346933.37480307 XC Correction (2367.35495s) started
T01 << 1462346939.79094195 XC Correction (2373.77109s) stopped
T01 << 1462346939.79407001 Atomic (2378.63321s) stopped
T01 >> 1462346939.79422092 Communicate (1801.62800s) started
T01 << 1462346944.64028001 Communicate (1806.47406s) stopped
T01 << 1462346944.64030910 Hamiltonian (8892.42929s) stopped
T01 >> 1462346944.64041090 LCAO eigensolver (3186.42924s) started
T01 >> 1462346944.64042497 Potential matrix (101.85272s) started
T01 << 1462346944.89931107 Potential matrix (102.11161s) stopped
T01 >> 1462346944.89938498 DistributedAtomicCorrection (528.09425s) started
T01 << 1462346946.23067904 DistributedAtomicCorrection (529.42554s) stopped
T01 >> 1462346946.23076105 Distribute overlap matrix (458.96937s) started
T01 >> 1462346946.23078394 blocked summation (435.16616s) started
T01 << 1462346947.31406903 blocked summation (436.24945s) stopped
T01 >> 1462346947.31643510 Scalapack redistribute (23.20807s) started
T01 << 1462346947.37525511 Scalapack redistribute (23.26689s) stopped
T01 << 1462346947.37534904 Distribute overlap matrix (460.11396s) stopped
T01 >> 1462346947.37595606 Blacs Orbital Layouts (1092.73210s) started
T01 >> 1462346947.37710404 General diagonalize (1071.05400s) started
T01 << 1462346950.10323501 General diagonalize (1073.78013s) stopped
T01 >> 1462346950.10329795 Redistribute coefs (1.16103s) started
T01 << 1462346950.10649800 Redistribute coefs (1.16423s) stopped
T01 >> 1462346950.10654593 Send coefs to domains (19.91742s) started
T01 << 1462346950.15615606 Send coefs to domains (19.96703s) stopped
T01 << 1462346950.15645289 Blacs Orbital Layouts (1095.51260s) stopped
T01 >> 1462346950.15650797 Calculate projections (1004.44758s) started
T01 << 1462346952.68003011 Calculate projections (1006.97110s) stopped
T01 << 1462346952.68046808 LCAO eigensolver (3194.46929s) stopped
T01 >> 1462346952.68119597 Density (781.86291s) started
T01 >> 1462346952.68120790 Pseudo density (646.31135s) started
T01 >> 1462346952.68160105 Calculate density matrix (580.99384s) started
T01 << 1462346954.21999002 Calculate density matrix (582.53223s) stopped
T01 >> 1462346954.22008300 Construct density (64.41687s) started
T01 << 1462346954.39546609 Construct density (64.59225s) stopped
T01 >> 1462346954.39776993 Symmetrize density (0.01628s) started
T01 << 1462346954.39780307 Symmetrize density (0.01631s) stopped
T01 << 1462346954.39824700 Pseudo density (648.02839s) stopped
T01 >> 1462346954.39826703 Atomic density matrices (89.65925s) started
T01 << 1462346954.64211392 Atomic density matrices (89.90310s) stopped
T01 >> 1462346954.64215589 Multipole moments (1.45235s) started
T01 << 1462346954.64601898 Multipole moments (1.45621s) stopped
T01 >> 1462346954.64604211 Normalize (0.39703s) started
T01 << 1462346954.64707708 Normalize (0.39807s) stopped
T01 >> 1462346954.64711094 Mix (44.01827s) started
T01 << 1462346954.76608109 Mix (44.13724s) stopped
T01 << 1462346954.76612806 Density (783.94784s) stopped
T01 >> 1462346954.76622605 Hamiltonian (8892.42930s) started
T01 >> 1462346954.76624608 vbar (5.12412s) started
T01 << 1462346954.78337502 vbar (5.14125s) stopped
T01 >> 1462346954.78344297 XC 3D grid (3861.83185s) started
T01 >> 1462346954.96234488 van der Waals (3727.16739s) started
T01 >> 1462346955.00684309 semilocal (841.83970s) started
T01 << 1462346957.23701596 semilocal (844.06987s) stopped
T01 >> 1462346957.26851797 redistribute (414.20327s) started
T01 << 1462346957.64080811 redistribute (414.57556s) stopped
T01 >> 1462346957.64087510 libvdwxc nonlocal (2442.67748s) started
T01 << 1462346964.33894300 libvdwxc nonlocal (2449.37555s) stopped
T01 >> 1462346964.33900595 redistribute (414.57560s) started
T01 << 1462346965.00011492 redistribute (415.23671s) stopped
T01 << 1462346965.00143003 van der Waals (3737.20647s) stopped
T01 << 1462346965.17200708 XC 3D grid (3872.22042s) stopped
T01 >> 1462346965.17207289 Poisson (801.77685s) started
T01 << 1462346966.97271705 Poisson (803.57749s) stopped
T01 >> 1462346966.97285700 Hartree integrate/restrict (30.53325s) started
T01 << 1462346966.99169707 Hartree integrate/restrict (30.55209s) stopped
T01 >> 1462346966.99184394 Hartree integrate/restrict (30.55219s) started
T01 << 1462346967.05993795 Hartree integrate/restrict (30.62028s) stopped
T01 >> 1462346967.07456112 Atomic (2378.63323s) started
T01 >> 1462346967.08503890 XC Correction (2373.77111s) started
T01 << 1462346973.51950693 XC Correction (2380.20558s) stopped
T01 << 1462346973.52262902 Atomic (2385.08130s) stopped
T01 >> 1462346973.52277994 Communicate (1806.47407s) started
T01 << 1462346978.31947994 Communicate (1811.27077s) stopped
T01 << 1462346978.31950808 Hamiltonian (8915.98258s) stopped
T01 >> 1462346978.31960511 LCAO eigensolver (3194.46931s) started
T01 >> 1462346978.31961894 Potential matrix (102.11165s) started
T01 << 1462346978.57897902 Potential matrix (102.37101s) stopped
T01 >> 1462346978.57905293 DistributedAtomicCorrection (529.42558s) started
T01 << 1462346979.91113806 DistributedAtomicCorrection (530.75766s) stopped
T01 >> 1462346979.91122103 Distribute overlap matrix (460.11397s) started
T01 >> 1462346979.91124296 blocked summation (436.24949s) started
T01 << 1462346980.98325205 blocked summation (437.32150s) stopped
T01 >> 1462346980.98502707 Scalapack redistribute (23.26693s) started
T01 << 1462346981.04435110 Scalapack redistribute (23.32625s) stopped
T01 << 1462346981.04444098 Distribute overlap matrix (461.24719s) stopped
T01 >> 1462346981.04503489 Blacs Orbital Layouts (1095.51262s) started
T01 >> 1462346981.04661298 General diagonalize (1073.78017s) started
T01 << 1462346983.74347591 General diagonalize (1076.47703s) stopped
T01 >> 1462346983.74354005 Redistribute coefs (1.16426s) started
T01 << 1462346983.74669003 Redistribute coefs (1.16741s) stopped
T01 >> 1462346983.74673605 Send coefs to domains (19.96707s) started
T01 << 1462346983.79615998 Send coefs to domains (20.01650s) stopped
T01 << 1462346983.79661608 Blacs Orbital Layouts (1098.26420s) stopped
T01 >> 1462346983.79667306 Calculate projections (1006.97116s) started
T01 << 1462346986.32020092 Calculate projections (1009.49469s) stopped
T01 << 1462346986.32047296 LCAO eigensolver (3202.47018s) stopped
T01 >> 1462346986.32120395 Density (783.94785s) started
T01 >> 1462346986.32121706 Pseudo density (648.02840s) started
T01 >> 1462346986.32161093 Calculate density matrix (582.53228s) started
T01 << 1462346987.85796189 Calculate density matrix (584.06863s) stopped
T01 >> 1462346987.85805392 Construct density (64.59229s) started
T01 << 1462346988.03395009 Construct density (64.76818s) stopped
T01 >> 1462346988.03622293 Symmetrize density (0.01632s) started
T01 << 1462346988.03625488 Symmetrize density (0.01635s) stopped
T01 << 1462346988.03671098 Pseudo density (649.74389s) stopped
T01 >> 1462346988.03673100 Atomic density matrices (89.90313s) started
T01 << 1462346988.27993202 Atomic density matrices (90.14633s) stopped
T01 >> 1462346988.27997303 Multipole moments (1.45623s) started
T01 << 1462346988.28385711 Multipole moments (1.46011s) stopped
T01 >> 1462346988.28388000 Normalize (0.39809s) started
T01 << 1462346988.28493190 Normalize (0.39915s) stopped
T01 >> 1462346988.28496599 Mix (44.13728s) started
T01 << 1462346988.40469503 Mix (44.25701s) stopped
T01 << 1462346988.40479398 Density (786.03144s) stopped
T01 >> 1462346988.40488291 Hamiltonian (8915.98260s) started
T01 >> 1462346988.40490294 vbar (5.14128s) started
T01 << 1462346988.42166495 vbar (5.15805s) stopped
T01 >> 1462346988.42177796 XC 3D grid (3872.22047s) started
T01 >> 1462346988.60227203 van der Waals (3737.20652s) started
T01 >> 1462346988.64730191 semilocal (844.06994s) started
T01 << 1462346990.87386203 semilocal (846.29650s) stopped
T01 >> 1462346990.90559196 redistribute (415.23679s) started
T01 << 1462346991.27897096 redistribute (415.61017s) stopped
T01 >> 1462346991.27903700 libvdwxc nonlocal (2449.37559s) started
T01 << 1462346997.96687889 libvdwxc nonlocal (2456.06343s) stopped
T01 >> 1462346997.96694303 redistribute (415.61021s) started
T01 << 1462346998.61842489 redistribute (416.26169s) stopped
T01 << 1462346998.61961508 van der Waals (3747.22386s) stopped
T01 << 1462346998.80062509 XC 3D grid (3882.59932s) stopped
T01 >> 1462346998.80067396 Poisson (803.57760s) started
T01 << 1462347000.60537291 Poisson (805.38230s) stopped
T01 >> 1462347000.60544395 Hartree integrate/restrict (30.62032s) started
T01 << 1462347000.62432289 Hartree integrate/restrict (30.63920s) stopped
T01 >> 1462347000.62437201 Hartree integrate/restrict (30.63923s) started
T01 << 1462347000.68684912 Hartree integrate/restrict (30.70171s) stopped
T01 >> 1462347000.70917511 Atomic (2385.08132s) started
T01 >> 1462347000.71945906 XC Correction (2380.20560s) started
T01 << 1462347007.03728294 XC Correction (2386.52343s) stopped
T01 << 1462347007.04042912 Atomic (2391.41257s) stopped
T01 >> 1462347007.04058194 Communicate (1811.27079s) started
T01 << 1462347011.92684293 Communicate (1816.15705s) stopped
T01 << 1462347011.92687106 Hamiltonian (8939.50459s) stopped
T01 >> 1462347011.92697191 LCAO eigensolver (3202.47020s) started
T01 >> 1462347011.92698598 Potential matrix (102.37105s) started
T01 << 1462347012.18628097 Potential matrix (102.63034s) stopped
T01 >> 1462347012.18635607 DistributedAtomicCorrection (530.75770s) started
T01 << 1462347013.53353190 DistributedAtomicCorrection (532.10488s) stopped
T01 >> 1462347013.53361392 Distribute overlap matrix (461.24720s) started
T01 >> 1462347013.53363705 blocked summation (437.32153s) started
T01 << 1462347014.61694407 blocked summation (438.40484s) stopped
T01 >> 1462347014.61886406 Scalapack redistribute (23.32629s) started
T01 << 1462347014.67928910 Scalapack redistribute (23.38671s) stopped
T01 << 1462347014.67936897 Distribute overlap matrix (462.39296s) stopped
T01 >> 1462347014.67995405 Blacs Orbital Layouts (1098.26421s) started
T01 >> 1462347014.68110609 General diagonalize (1076.47707s) started
T01 << 1462347017.38278389 General diagonalize (1079.17875s) stopped
T01 >> 1462347017.38284898 Redistribute coefs (1.16745s) started
T01 << 1462347017.38652396 Redistribute coefs (1.17112s) stopped
T01 >> 1462347017.38657093 Send coefs to domains (20.01654s) started
T01 << 1462347017.43602109 Send coefs to domains (20.06599s) stopped
T01 << 1462347017.43630409 Blacs Orbital Layouts (1101.02057s) stopped
T01 >> 1462347017.43635702 Calculate projections (1009.49474s) started
T01 << 1462347019.95967197 Calculate projections (1012.01806s) stopped
T01 << 1462347019.95994592 LCAO eigensolver (3210.50317s) stopped
T01 >> 1462347019.96064997 Density (786.03146s) started
T01 >> 1462347019.96066689 Pseudo density (649.74391s) started
T01 >> 1462347019.96105790 Calculate density matrix (584.06867s) started
T01 << 1462347021.50018597 Calculate density matrix (585.60780s) stopped
T01 >> 1462347021.50027895 Construct density (64.76822s) started
T01 << 1462347021.67574811 Construct density (64.94369s) stopped
T01 >> 1462347021.67715311 Symmetrize density (0.01636s) started
T01 << 1462347021.67718410 Symmetrize density (0.01639s) stopped
T01 << 1462347021.67762399 Pseudo density (651.46087s) stopped
T01 >> 1462347021.67764401 Atomic density matrices (90.14636s) started
T01 << 1462347021.92186904 Atomic density matrices (90.39058s) stopped
T01 >> 1462347021.92191005 Multipole moments (1.46013s) started
T01 << 1462347021.92581010 Multipole moments (1.46403s) stopped
T01 >> 1462347021.92583299 Normalize (0.39917s) started
T01 << 1462347021.92689204 Normalize (0.40023s) stopped
T01 >> 1462347021.92692494 Mix (44.25711s) started
T01 << 1462347022.04714298 Mix (44.37733s) stopped
T01 << 1462347022.04719710 Density (788.11801s) stopped
T01 >> 1462347022.04730105 Hamiltonian (8939.50460s) started
T01 >> 1462347022.04732203 vbar (5.15811s) started
T01 << 1462347022.06397796 vbar (5.17477s) stopped
T01 >> 1462347022.06404400 XC 3D grid (3882.59935s) started
T01 >> 1462347022.24249792 van der Waals (3747.22392s) started
T01 >> 1462347022.28804898 semilocal (846.29658s) started
T01 << 1462347024.49733591 semilocal (848.50586s) stopped
T01 >> 1462347024.53045702 redistribute (416.26174s) started
T01 << 1462347024.91185308 redistribute (416.64314s) stopped
T01 >> 1462347024.91191912 libvdwxc nonlocal (2456.06347s) started
T01 << 1462347031.59298205 libvdwxc nonlocal (2462.74453s) stopped
T01 >> 1462347031.59305000 redistribute (416.64317s) started
T01 << 1462347032.24494791 redistribute (417.29507s) stopped
T01 << 1462347032.24610305 van der Waals (3757.22752s) stopped
T01 << 1462347032.42691493 XC 3D grid (3892.96222s) stopped
T01 >> 1462347032.42696404 Poisson (805.38235s) started
T01 << 1462347033.64344501 Poisson (806.59884s) stopped
T01 >> 1462347033.64352489 Hartree integrate/restrict (30.70174s) started
T01 << 1462347033.66292810 Hartree integrate/restrict (30.72114s) stopped
T01 >> 1462347033.66299391 Hartree integrate/restrict (30.72119s) started
T01 << 1462347033.72409296 Hartree integrate/restrict (30.78229s) stopped
T01 >> 1462347033.74803090 Atomic (2391.41259s) started
T01 >> 1462347033.75853205 XC Correction (2386.52345s) started
T01 << 1462347040.18410397 XC Correction (2392.94902s) stopped
T01 << 1462347040.18724990 Atomic (2397.85181s) stopped
T01 >> 1462347040.18740106 Communicate (1816.15707s) started
T01 << 1462347045.07387805 Communicate (1821.04355s) stopped
T01 << 1462347045.07390499 Hamiltonian (8962.53120s) stopped
T01 >> 1462347045.07400298 LCAO eigensolver (3210.50319s) started
T01 >> 1462347045.07401705 Potential matrix (102.63038s) started
T01 << 1462347045.33443689 Potential matrix (102.89080s) stopped
T01 >> 1462347045.33450890 DistributedAtomicCorrection (532.10491s) started
T01 << 1462347046.68330312 DistributedAtomicCorrection (533.45371s) stopped
T01 >> 1462347046.68338704 Distribute overlap matrix (462.39297s) started
T01 >> 1462347046.68340898 blocked summation (438.40488s) started
T01 << 1462347047.73914504 blocked summation (439.46062s) stopped
T01 >> 1462347047.74148798 Scalapack redistribute (23.38675s) started
T01 << 1462347047.79837203 Scalapack redistribute (23.44363s) stopped
T01 << 1462347047.79846501 Distribute overlap matrix (463.50805s) stopped
T01 >> 1462347047.79904389 Blacs Orbital Layouts (1101.02058s) started
T01 >> 1462347047.80029702 General diagonalize (1079.17878s) started
T01 << 1462347050.52878404 General diagonalize (1081.90727s) stopped
T01 >> 1462347050.52884793 Redistribute coefs (1.17116s) started
T01 << 1462347050.53186703 Redistribute coefs (1.17418s) stopped
T01 >> 1462347050.53191495 Send coefs to domains (20.06603s) started
T01 << 1462347050.58155298 Send coefs to domains (20.11567s) stopped
T01 << 1462347050.58187294 Blacs Orbital Layouts (1103.80341s) stopped
T01 >> 1462347050.58192611 Calculate projections (1012.01811s) started
T01 << 1462347053.10540605 Calculate projections (1014.54159s) stopped
T01 << 1462347053.10584402 LCAO eigensolver (3218.53503s) stopped
T01 << 1462347053.10657096 SCF-cycle (12969.51405s) stopped
T01 >> 1462347053.95060897 Force calculation (595.77338s) started
T01 >> 1462347053.95067096 LCAO forces (377.68901s) started
T01 >> 1462347053.95102096 Initial (0.00044s) started
T01 << 1462347053.95103192 Initial (0.00045s) stopped
T01 >> 1462347053.95525503 Get density matrix (73.27473s) started
T01 << 1462347054.55977988 Get density matrix (73.87926s) stopped
T01 >> 1462347054.55986094 Potential (27.08011s) started
T01 << 1462347055.93940401 Potential (28.45965s) stopped
T01 >> 1462347055.93947005 Get density matrix (73.87929s) started
T01 << 1462347059.14431190 Get density matrix (77.08414s) stopped
T01 >> 1462347059.14444208 Prepare TCI loop (37.81329s) started
T01 >> 1462347059.14491105 Get neighbors (33.83459s) started
T01 << 1462347061.00756311 Get neighbors (35.69725s) stopped
T01 >> 1462347061.00779510 broadcast dH (3.96521s) started
T01 << 1462347061.04468799 broadcast dH (4.00210s) stopped
T01 << 1462347061.04473400 Prepare TCI loop (39.71358s) stopped
T01 >> 1462347061.04475188 Not so complicated loop (52.94695s) started
T01 << 1462347063.75546503 Not so complicated loop (55.65766s) stopped
T01 >> 1462347063.87951207 Complicated loop (183.97342s) started
T01 << 1462347073.37959290 Complicated loop (193.47350s) stopped
T01 >> 1462347073.39170408 Wait for sum (0.00110s) started
T01 << 1462347073.39174390 Wait for sum (0.00114s) stopped
T01 << 1462347073.39175701 LCAO forces (397.13009s) stopped
T01 << 1462347085.57909012 Force calculation (627.40186s) stopped
T01 >> 1462347085.59686494 Initialization (1045.56333s) started
T01 << 1462347085.59705305 Initialization (1045.56352s) stopped
T01 >> 1462347085.59729195 Initialization (1045.56354s) started
T01 << 1462347085.59742093 Initialization (1045.56366s) stopped
T01 >> 1462347085.59755397 Initialization (1045.56368s) started
T01 << 1462347085.59768605 Initialization (1045.56381s) stopped
T01 >> 1462347106.00578904 Initialization (1045.56383s) started
T01 >> 1462347106.02341104 Basic WFS set positions (2.00931s) started
T01 >> 1462347106.02343702 Redistribute (0.03783s) started
T01 << 1462347106.02357697 Redistribute (0.03797s) stopped
T01 << 1462347106.12369394 Basic WFS set positions (2.10959s) stopped
T01 >> 1462347106.12372208 Basis functions set positions (8.76223s) started
T01 << 1462347106.52684093 Basis functions set positions (9.16535s) stopped
T01 >> 1462347106.52768803 TCI: Calculate S, T, P (312.05859s) started
T01 << 1462347121.76211810 TCI: Calculate S, T, P (327.29302s) stopped
T01 >> 1462347121.76221704 blocked summation (83.02152s) started
T01 << 1462347125.31170201 blocked summation (86.57100s) stopped
T01 >> 1462347125.31329203 Scalapack redistribute (4.65591s) started
T01 << 1462347125.37126493 Scalapack redistribute (4.71388s) stopped
T01 >> 1462347125.37157011 blocked summation (86.57104s) started
T01 << 1462347125.53944993 blocked summation (86.73892s) stopped
T01 >> 1462347125.54116607 Scalapack redistribute (4.71391s) started
T01 << 1462347125.73781204 Scalapack redistribute (4.91056s) stopped
T01 >> 1462347125.73947096 Redistribute (0.04048s) started
T01 << 1462347125.74045897 Redistribute (0.04147s) stopped
T01 >> 1462347126.63809395 Redistribute (0.04148s) started
T01 << 1462347126.63909793 Redistribute (0.04249s) stopped
T01 >> 1462347126.64998293 LCAO WFS Initialize (612.36682s) started
T01 >> 1462347126.65001202 Density initialize from wavefunctions (24.13827s) started
T01 >> 1462347126.65044308 Calculate density matrix (14.03620s) started
T01 << 1462347127.36327291 Calculate density matrix (14.74903s) stopped
T01 >> 1462347127.36334205 Construct density (3.42129s) started
T01 << 1462347127.53898501 Construct density (3.59693s) stopped
T01 >> 1462347127.54057598 Symmetrize density (0.00085s) started
T01 << 1462347127.54060793 Symmetrize density (0.00088s) stopped
T01 << 1462347127.87533903 Density initialize from wavefunctions (25.36360s) stopped
T01 >> 1462347127.87592196 Hamiltonian (588.02167s) started
T01 >> 1462347127.87595510 vbar (0.29130s) started
T01 << 1462347127.89224100 vbar (0.30758s) stopped
T01 >> 1462347127.89230895 XC 3D grid (214.80863s) started
T01 >> 1462347128.06279612 van der Waals (207.33574s) started
T01 >> 1462347128.10588503 semilocal (46.58998s) started
T01 << 1462347130.29997897 semilocal (48.78407s) stopped
T01 >> 1462347130.33424091 redistribute (22.88594s) started
T01 << 1462347130.73836803 redistribute (23.29006s) stopped
T01 >> 1462347130.73841691 libvdwxc nonlocal (136.28097s) started
T01 << 1462347137.45240593 libvdwxc nonlocal (142.99496s) stopped
T01 >> 1462347137.45247793 redistribute (23.29010s) started
T01 << 1462347138.08598900 redistribute (23.92361s) stopped
T01 << 1462347138.08698392 van der Waals (217.35993s) stopped
T01 << 1462347138.26819110 XC 3D grid (225.18451s) stopped
T01 >> 1462347138.26825190 Poisson (100.14707s) started
T01 << 1462347142.99838090 Poisson (104.87720s) stopped
T01 >> 1462347142.99846911 Hartree integrate/restrict (1.68081s) started
T01 << 1462347143.01769996 Hartree integrate/restrict (1.70005s) stopped
T01 >> 1462347143.01774812 Hartree integrate/restrict (1.70008s) started
T01 << 1462347143.07891393 Hartree integrate/restrict (1.76124s) stopped
T01 >> 1462347143.10124993 Atomic (139.71122s) started
T01 >> 1462347143.11189699 XC Correction (139.43571s) started
T01 << 1462347149.91390395 XC Correction (146.23771s) stopped
T01 << 1462347149.91707110 Atomic (146.52704s) stopped
T01 >> 1462347149.91733289 Communicate (130.91733s) started
T01 << 1462347155.66744494 Communicate (136.66744s) stopped
T01 << 1462347155.66747308 Hamiltonian (615.81322s) stopped
T01 << 1462347155.66752791 LCAO WFS Initialize (641.38436s) stopped
T01 << 1462347155.67986488 Initialization (1095.23790s) stopped
T01 >> 1462347155.70506191 SCF-cycle (12969.51406s) started
T01 >> 1462347155.70510292 LCAO eigensolver (3218.53505s) started
T01 >> 1462347155.70511508 Potential matrix (102.89084s) started
T01 << 1462347155.96486306 Potential matrix (103.15059s) stopped
T01 >> 1462347155.96494102 DistributedAtomicCorrection (533.45375s) started
T01 << 1462347157.30388904 DistributedAtomicCorrection (534.79269s) stopped
T01 >> 1462347157.30395389 Distribute overlap matrix (463.50806s) started
T01 >> 1462347157.30397606 blocked summation (439.46065s) started
T01 << 1462347158.38500500 blocked summation (440.54168s) stopped
T01 >> 1462347158.38655901 Scalapack redistribute (23.44367s) started
T01 << 1462347158.44650888 Scalapack redistribute (23.50362s) stopped
T01 << 1462347158.44658494 Distribute overlap matrix (464.65069s) stopped
T01 >> 1462347158.44715500 Blacs Orbital Layouts (1103.80343s) started
T01 >> 1462347158.44826508 General diagonalize (1081.90731s) started
T01 << 1462347161.16015792 General diagonalize (1084.61920s) stopped
T01 >> 1462347161.16020799 Redistribute coefs (1.17422s) started
T01 << 1462347161.16319799 Redistribute coefs (1.17721s) stopped
T01 >> 1462347161.16324210 Send coefs to domains (20.11572s) started
T01 << 1462347161.21362901 Send coefs to domains (20.16610s) stopped
T01 << 1462347161.21368790 Blacs Orbital Layouts (1106.56996s) stopped
T01 >> 1462347161.21371889 Calculate projections (1014.54165s) started
T01 << 1462347163.73700190 Calculate projections (1017.06493s) stopped
T01 << 1462347163.73708296 LCAO eigensolver (3226.56703s) stopped
T01 >> 1462347163.73790312 Density (788.11802s) started
T01 >> 1462347163.73791599 Pseudo density (651.46088s) started
T01 >> 1462347163.73842311 Calculate density matrix (585.60784s) started
T01 << 1462347165.27657294 Calculate density matrix (587.14599s) stopped
T01 >> 1462347165.27663898 Construct density (64.94372s) started
T01 << 1462347165.45241904 Construct density (65.11950s) stopped
T01 >> 1462347165.45400691 Symmetrize density (0.01641s) started
T01 << 1462347165.45404005 Symmetrize density (0.01644s) stopped
T01 << 1462347165.45448899 Pseudo density (653.17745s) stopped
T01 >> 1462347165.45450902 Atomic density matrices (90.39061s) started
T01 << 1462347165.69513202 Atomic density matrices (90.63123s) stopped
T01 >> 1462347165.69517112 Multipole moments (1.46404s) started
T01 << 1462347165.69906092 Multipole moments (1.46793s) stopped
T01 >> 1462347165.69908309 Normalize (0.40025s) started
T01 << 1462347165.70028496 Normalize (0.40145s) stopped
T01 >> 1462347165.70032001 Mix (44.37738s) started
T01 << 1462347165.80568004 Mix (44.48274s) stopped
T01 << 1462347165.80573511 Density (790.18585s) stopped
T01 >> 1462347165.80580902 Hamiltonian (8962.53121s) started
T01 >> 1462347165.80582500 vbar (5.17480s) started
T01 << 1462347165.82244802 vbar (5.19142s) stopped
T01 >> 1462347165.82251096 XC 3D grid (3892.96226s) started
T01 >> 1462347165.99193096 van der Waals (3757.22756s) started
T01 >> 1462347166.03618097 semilocal (848.50595s) started
T01 << 1462347168.24604893 semilocal (850.71582s) stopped
T01 >> 1462347168.28067493 redistribute (417.29512s) started
T01 << 1462347168.67841411 redistribute (417.69286s) stopped
T01 >> 1462347168.67848396 libvdwxc nonlocal (2462.74458s) started
T01 << 1462347175.37915611 libvdwxc nonlocal (2469.44525s) stopped
T01 >> 1462347175.37923503 redistribute (417.69290s) started
T01 << 1462347176.02161098 redistribute (418.33527s) stopped
T01 << 1462347176.02283311 van der Waals (3767.25846s) stopped
T01 << 1462347176.20356202 XC 3D grid (3903.34331s) stopped
T01 >> 1462347176.20362210 Poisson (806.59890s) started
T01 << 1462347178.58763194 Poisson (808.98291s) stopped
T01 >> 1462347178.58774996 Hartree integrate/restrict (30.78232s) started
T01 << 1462347178.60666800 Hartree integrate/restrict (30.80124s) stopped
T01 >> 1462347178.60677099 Hartree integrate/restrict (30.80131s) started
T01 << 1462347178.66842103 Hartree integrate/restrict (30.86296s) stopped
T01 >> 1462347178.68887305 Atomic (2397.85182s) started
T01 >> 1462347178.69913507 XC Correction (2392.94905s) started
T01 << 1462347185.47692609 XC Correction (2399.72684s) stopped
T01 << 1462347185.48000693 Atomic (2404.64296s) stopped
T01 >> 1462347185.48015904 Communicate (1821.04357s) started
T01 << 1462347190.87393498 Communicate (1826.43734s) stopped
T01 << 1462347190.87396312 Hamiltonian (8987.59937s) stopped
T01 >> 1462347190.87405610 LCAO eigensolver (3226.56704s) started
T01 >> 1462347190.87406898 Potential matrix (103.15063s) started
T01 << 1462347191.13497210 Potential matrix (103.41153s) stopped
T01 >> 1462347191.13504910 DistributedAtomicCorrection (534.79273s) started
T01 << 1462347192.47286892 DistributedAtomicCorrection (536.13055s) stopped
T01 >> 1462347192.47293305 Distribute overlap matrix (464.65070s) started
T01 >> 1462347192.47295594 blocked summation (440.54173s) started
T01 << 1462347193.56168604 blocked summation (441.63046s) stopped
T01 >> 1462347193.56324100 Scalapack redistribute (23.50365s) started
T01 << 1462347193.62077904 Scalapack redistribute (23.56119s) stopped
T01 << 1462347193.62085509 Distribute overlap matrix (465.79863s) stopped
T01 >> 1462347193.62141895 Blacs Orbital Layouts (1106.56997s) started
T01 >> 1462347193.62249899 General diagonalize (1084.61924s) started
T01 << 1462347196.33188009 General diagonalize (1087.32862s) stopped
T01 >> 1462347196.33194399 Redistribute coefs (1.17724s) started
T01 << 1462347196.33500099 Redistribute coefs (1.18030s) stopped
T01 >> 1462347196.33508396 Send coefs to domains (20.16615s) started
T01 << 1462347196.38521194 Send coefs to domains (20.21628s) stopped
T01 << 1462347196.38527012 Blacs Orbital Layouts (1109.33382s) stopped
T01 >> 1462347196.38531899 Calculate projections (1017.06499s) started
T01 << 1462347198.90869808 Calculate projections (1019.58837s) stopped
T01 << 1462347198.90878010 LCAO eigensolver (3234.60177s) stopped
T01 >> 1462347198.90945101 Density (790.18587s) started
T01 >> 1462347198.90946388 Pseudo density (653.17747s) started
T01 >> 1462347198.90997100 Calculate density matrix (587.14603s) started
T01 << 1462347200.44543195 Calculate density matrix (588.68149s) stopped
T01 >> 1462347200.44549990 Construct density (65.11954s) started
T01 << 1462347200.62198091 Construct density (65.29602s) stopped
T01 >> 1462347200.62338495 Symmetrize density (0.01645s) started
T01 << 1462347200.62341905 Symmetrize density (0.01649s) stopped
T01 << 1462347200.62386990 Pseudo density (654.89187s) stopped
T01 >> 1462347200.62388992 Atomic density matrices (90.63126s) started
T01 << 1462347200.86355495 Atomic density matrices (90.87092s) stopped
T01 >> 1462347200.86359692 Multipole moments (1.46795s) started
T01 << 1462347200.86751199 Multipole moments (1.47186s) stopped
T01 >> 1462347200.86753511 Normalize (0.40148s) started
T01 << 1462347200.86870098 Normalize (0.40265s) stopped
T01 >> 1462347200.86873794 Mix (44.48279s) started
T01 << 1462347200.97633791 Mix (44.59039s) stopped
T01 << 1462347200.97641897 Density (792.25284s) stopped
T01 >> 1462347200.97650599 Hamiltonian (8987.59938s) started
T01 >> 1462347200.97652411 vbar (5.19146s) started
T01 << 1462347200.99350095 vbar (5.20844s) stopped
T01 >> 1462347200.99360299 XC 3D grid (3903.34336s) started
T01 >> 1462347201.17146492 van der Waals (3767.25851s) started
T01 >> 1462347201.21566510 semilocal (850.71592s) started
T01 << 1462347203.46898508 semilocal (852.96924s) stopped
T01 >> 1462347203.49841905 redistribute (418.33532s) started
T01 << 1462347203.86604309 redistribute (418.70294s) stopped
T01 >> 1462347203.86611104 libvdwxc nonlocal (2469.44530s) started
T01 << 1462347210.55736303 libvdwxc nonlocal (2476.13655s) stopped
T01 >> 1462347210.55743098 redistribute (418.70298s) started
T01 << 1462347211.20277190 redistribute (419.34832s) stopped
T01 << 1462347211.20382190 van der Waals (3777.29087s) stopped
T01 << 1462347211.38393903 XC 3D grid (3913.73369s) stopped
T01 >> 1462347211.38398504 Poisson (808.98299s) started
T01 << 1462347213.76844096 Poisson (811.36745s) stopped
T01 >> 1462347213.76853704 Hartree integrate/restrict (30.86300s) started
T01 << 1462347213.78761697 Hartree integrate/restrict (30.88208s) stopped
T01 >> 1462347213.78770590 Hartree integrate/restrict (30.88214s) started
T01 << 1462347213.84974194 Hartree integrate/restrict (30.94418s) stopped
T01 >> 1462347213.87247300 Atomic (2404.64297s) started
T01 >> 1462347213.88263607 XC Correction (2399.72686s) started
T01 << 1462347220.32434893 XC Correction (2406.16857s) stopped
T01 << 1462347220.32745004 Atomic (2411.09795s) stopped
T01 >> 1462347220.32760406 Communicate (1826.43736s) started
T01 << 1462347225.39177489 Communicate (1831.50153s) stopped
T01 << 1462347225.39180303 Hamiltonian (9012.01468s) stopped
T01 >> 1462347225.39189911 LCAO eigensolver (3234.60178s) started
T01 >> 1462347225.39191198 Potential matrix (103.41157s) started
T01 << 1462347225.65355897 Potential matrix (103.67322s) stopped
T01 >> 1462347225.65363193 DistributedAtomicCorrection (536.13059s) started
T01 << 1462347226.98953605 DistributedAtomicCorrection (537.46649s) stopped
T01 >> 1462347226.98960090 Distribute overlap matrix (465.79864s) started
T01 >> 1462347226.98962307 blocked summation (441.63050s) started
T01 << 1462347228.06922293 blocked summation (442.71010s) stopped
T01 >> 1462347228.07077193 Scalapack redistribute (23.56122s) started
T01 << 1462347228.12886095 Scalapack redistribute (23.61931s) stopped
T01 << 1462347228.12894392 Distribute overlap matrix (466.93798s) stopped
T01 >> 1462347228.12950492 Blacs Orbital Layouts (1109.33383s) started
T01 >> 1462347228.13069892 General diagonalize (1087.32866s) started
T01 << 1462347230.82319403 General diagonalize (1090.02115s) stopped
T01 >> 1462347230.82325912 Redistribute coefs (1.18033s) started
T01 << 1462347230.82601094 Redistribute coefs (1.18309s) stopped
T01 >> 1462347230.82609200 Send coefs to domains (20.21632s) started
T01 << 1462347230.87686992 Send coefs to domains (20.26710s) stopped
T01 << 1462347230.87692189 Blacs Orbital Layouts (1112.08125s) stopped
T01 >> 1462347230.87697196 Calculate projections (1019.58842s) started
T01 << 1462347233.40059590 Calculate projections (1022.11204s) stopped
T01 << 1462347233.40067792 LCAO eigensolver (3242.61056s) stopped
T01 >> 1462347233.40139389 Density (792.25285s) started
T01 >> 1462347233.40140700 Pseudo density (654.89189s) started
T01 >> 1462347233.40192604 Calculate density matrix (588.68154s) started
T01 << 1462347234.93856692 Calculate density matrix (590.21818s) stopped
T01 >> 1462347234.93866491 Construct density (65.29606s) started
T01 << 1462347235.11411500 Construct density (65.47151s) stopped
T01 >> 1462347235.11552691 Symmetrize density (0.01650s) started
T01 << 1462347235.11555910 Symmetrize density (0.01653s) stopped
T01 << 1462347235.11601210 Pseudo density (656.60649s) stopped
T01 >> 1462347235.11603189 Atomic density matrices (90.87095s) started
T01 << 1462347235.35649300 Atomic density matrices (91.11141s) stopped
T01 >> 1462347235.35653496 Multipole moments (1.47188s) started
T01 << 1462347235.36043906 Multipole moments (1.47578s) stopped
T01 >> 1462347235.36046195 Normalize (0.40267s) started
T01 << 1462347235.36164808 Normalize (0.40386s) stopped
T01 >> 1462347235.36168694 Mix (44.59047s) started
T01 << 1462347235.47406793 Mix (44.70285s) stopped
T01 << 1462347235.47416306 Density (794.32562s) stopped
T01 >> 1462347235.47425389 Hamiltonian (9012.01469s) started
T01 >> 1462347235.47427392 vbar (5.20850s) started
T01 << 1462347235.49095011 vbar (5.22517s) stopped
T01 >> 1462347235.49105692 XC 3D grid (3913.73373s) started
T01 >> 1462347235.66678095 van der Waals (3777.29090s) started
T01 >> 1462347235.71043897 semilocal (852.96930s) started
T01 << 1462347237.91672111 semilocal (855.17559s) stopped
T01 >> 1462347237.94907594 redistribute (419.34836s) started
T01 << 1462347238.33593106 redistribute (419.73522s) stopped
T01 >> 1462347238.33599901 libvdwxc nonlocal (2476.13659s) started
T01 << 1462347245.03206897 libvdwxc nonlocal (2482.83266s) stopped
T01 >> 1462347245.03213000 redistribute (419.73526s) started
T01 << 1462347245.67313910 redistribute (420.37626s) stopped
T01 << 1462347245.67420912 van der Waals (3787.29833s) stopped
T01 << 1462347245.85479403 XC 3D grid (3924.09747s) stopped
T01 >> 1462347245.85484290 Poisson (811.36752s) started
T01 << 1462347248.23812890 Poisson (813.75081s) stopped
T01 >> 1462347248.23819900 Hartree integrate/restrict (30.94422s) started
T01 << 1462347248.25705695 Hartree integrate/restrict (30.96308s) stopped
T01 >> 1462347248.25710511 Hartree integrate/restrict (30.96311s) started
T01 << 1462347248.32507896 Hartree integrate/restrict (31.03109s) stopped
T01 >> 1462347248.33931208 Atomic (2411.09797s) started
T01 >> 1462347248.34947610 XC Correction (2406.16860s) started
T01 << 1462347254.67686796 XC Correction (2412.49599s) stopped
T01 << 1462347254.67998004 Atomic (2417.43864s) stopped
T01 >> 1462347254.68013310 Communicate (1831.50155s) started
T01 << 1462347259.27711797 Communicate (1836.09854s) stopped
T01 << 1462347259.27714705 Hamiltonian (9035.81758s) stopped
T01 >> 1462347259.27724409 LCAO eigensolver (3242.61058s) started
T01 >> 1462347259.27725792 Potential matrix (103.67326s) started
T01 << 1462347259.53786492 Potential matrix (103.93387s) stopped
T01 >> 1462347259.53794193 DistributedAtomicCorrection (537.46653s) started
T01 << 1462347260.87246108 DistributedAtomicCorrection (538.80105s) stopped
T01 >> 1462347260.87252402 Distribute overlap matrix (466.93799s) started
T01 >> 1462347260.87254691 blocked summation (442.71015s) started
T01 << 1462347261.95795703 blocked summation (443.79556s) stopped
T01 >> 1462347261.95951200 Scalapack redistribute (23.61935s) started
T01 << 1462347262.01764488 Scalapack redistribute (23.67748s) stopped
T01 << 1462347262.01772499 Distribute overlap matrix (468.08319s) stopped
T01 >> 1462347262.01828098 Blacs Orbital Layouts (1112.08126s) started
T01 >> 1462347262.01936102 General diagonalize (1090.02119s) started
T01 << 1462347264.72870207 General diagonalize (1092.73053s) stopped
T01 >> 1462347264.72876596 Redistribute coefs (1.18312s) started
T01 << 1462347264.73189211 Redistribute coefs (1.18625s) stopped
T01 >> 1462347264.73193908 Send coefs to domains (20.26714s) started
T01 << 1462347264.78273702 Send coefs to domains (20.31794s) stopped
T01 << 1462347264.78279710 Blacs Orbital Layouts (1114.84578s) stopped
T01 >> 1462347264.78284788 Calculate projections (1022.11210s) started
T01 << 1462347267.30638194 Calculate projections (1024.63563s) stopped
T01 << 1462347267.30646300 LCAO eigensolver (3250.63979s) stopped
T01 >> 1462347267.30739999 Density (794.32564s) started
T01 >> 1462347267.30741191 Pseudo density (656.60651s) started
T01 >> 1462347267.30792904 Calculate density matrix (590.21823s) started
T01 << 1462347268.84491801 Calculate density matrix (591.75522s) stopped
T01 >> 1462347268.84499788 Construct density (65.47154s) started
T01 << 1462347269.02073789 Construct density (65.64728s) stopped
T01 >> 1462347269.02233005 Symmetrize density (0.01654s) started
T01 << 1462347269.02236295 Symmetrize density (0.01657s) stopped
T01 << 1462347269.02281809 Pseudo density (658.32191s) stopped
T01 >> 1462347269.02283692 Atomic density matrices (91.11144s) started
T01 << 1462347269.26234794 Atomic density matrices (91.35095s) stopped
T01 >> 1462347269.26238894 Multipole moments (1.47580s) started
T01 << 1462347269.26625991 Multipole moments (1.47967s) stopped
T01 >> 1462347269.26628208 Normalize (0.40389s) started
T01 << 1462347269.26746392 Normalize (0.40507s) stopped
T01 >> 1462347269.26750207 Mix (44.70294s) started
T01 << 1462347269.38255310 Mix (44.81799s) stopped
T01 << 1462347269.38264608 Density (796.40089s) stopped
T01 >> 1462347269.38274002 Hamiltonian (9035.81760s) started
T01 >> 1462347269.38276005 vbar (5.22523s) started
T01 << 1462347269.39983296 vbar (5.24231s) stopped
T01 >> 1462347269.39991212 XC 3D grid (3924.09750s) started
T01 >> 1462347269.57380605 van der Waals (3787.29839s) started
T01 >> 1462347269.61770296 semilocal (855.17568s) started
T01 << 1462347271.83060098 semilocal (857.38858s) stopped
T01 >> 1462347271.86495900 redistribute (420.37631s) started
T01 << 1462347272.25902605 redistribute (420.77038s) stopped
T01 >> 1462347272.25909495 libvdwxc nonlocal (2482.83270s) started
T01 << 1462347278.96801209 libvdwxc nonlocal (2489.54162s) stopped
T01 >> 1462347278.96809196 redistribute (420.77042s) started
T01 << 1462347279.61472797 redistribute (421.41705s) stopped
T01 << 1462347279.61584592 van der Waals (3797.34043s) stopped
T01 << 1462347279.79688406 XC 3D grid (3934.49448s) stopped
T01 >> 1462347279.79694891 Poisson (813.75086s) started
T01 << 1462347282.18276000 Poisson (816.13667s) stopped
T01 >> 1462347282.18288898 Hartree integrate/restrict (31.03112s) started
T01 << 1462347282.20152402 Hartree integrate/restrict (31.04976s) stopped
T01 >> 1462347282.20166993 Hartree integrate/restrict (31.04986s) started
T01 << 1462347282.26976299 Hartree integrate/restrict (31.11795s) stopped
T01 >> 1462347282.28532004 Atomic (2417.43865s) started
T01 >> 1462347282.29552794 XC Correction (2412.49602s) started
T01 << 1462347288.65688491 XC Correction (2418.85737s) stopped
T01 << 1462347288.66001105 Atomic (2423.81334s) stopped
T01 >> 1462347288.66016412 Communicate (1836.09855s) started
T01 << 1462347293.16863108 Communicate (1840.60702s) stopped
T01 << 1462347293.16865897 Hamiltonian (9059.60352s) stopped
T01 >> 1462347293.16876006 LCAO eigensolver (3250.63981s) started
T01 >> 1462347293.16877389 Potential matrix (103.93391s) started
T01 << 1462347293.42921090 Potential matrix (104.19434s) stopped
T01 >> 1462347293.42928600 DistributedAtomicCorrection (538.80109s) started
T01 << 1462347294.76230502 DistributedAtomicCorrection (540.13410s) stopped
T01 >> 1462347294.76236796 Distribute overlap matrix (468.08321s) started
T01 >> 1462347294.76238990 blocked summation (443.79560s) started
T01 << 1462347295.85165405 blocked summation (444.88487s) stopped
T01 >> 1462347295.85318494 Scalapack redistribute (23.67752s) started
T01 << 1462347295.91243505 Scalapack redistribute (23.73677s) stopped
T01 << 1462347295.91251707 Distribute overlap matrix (469.23336s) stopped
T01 >> 1462347295.91312909 Blacs Orbital Layouts (1114.84579s) started
T01 >> 1462347295.91491008 General diagonalize (1092.73057s) started
T01 << 1462347298.61167002 General diagonalize (1095.42733s) stopped
T01 >> 1462347298.61173391 Redistribute coefs (1.18628s) started
T01 << 1462347298.61491299 Redistribute coefs (1.18946s) stopped
T01 >> 1462347298.61496091 Send coefs to domains (20.31799s) started
T01 << 1462347298.66504598 Send coefs to domains (20.36807s) stopped
T01 << 1462347298.66557097 Blacs Orbital Layouts (1117.59823s) stopped
T01 >> 1462347298.66562510 Calculate projections (1024.63569s) started
T01 << 1462347301.18909407 Calculate projections (1027.15916s) stopped
T01 << 1462347301.18917298 LCAO eigensolver (3258.66022s) stopped
T01 >> 1462347301.18992305 Density (796.40091s) started
T01 >> 1462347301.18993592 Pseudo density (658.32193s) started
T01 >> 1462347301.19045091 Calculate density matrix (591.75526s) started
T01 << 1462347302.73173690 Calculate density matrix (593.29654s) stopped
T01 >> 1462347302.73182201 Construct density (65.64732s) started
T01 << 1462347302.90834498 Construct density (65.82384s) stopped
T01 >> 1462347302.90978599 Symmetrize density (0.01658s) started
T01 << 1462347302.90982008 Symmetrize density (0.01662s) stopped
T01 << 1462347302.91026497 Pseudo density (660.04226s) stopped
T01 >> 1462347302.91028404 Atomic density matrices (91.35098s) started
T01 << 1462347303.14936209 Atomic density matrices (91.59006s) stopped
T01 >> 1462347303.14940310 Multipole moments (1.47968s) started
T01 << 1462347303.15328598 Multipole moments (1.48357s) stopped
T01 >> 1462347303.15330911 Normalize (0.40510s) started
T01 << 1462347303.15448809 Normalize (0.40628s) stopped
T01 >> 1462347303.15452290 Mix (44.81808s) started
T01 << 1462347303.27461791 Mix (44.93817s) stopped
T01 << 1462347303.27470398 Density (798.48569s) stopped
T01 >> 1462347303.27477789 Hamiltonian (9059.60353s) started
T01 >> 1462347303.27479601 vbar (5.24235s) started
T01 << 1462347303.29160500 vbar (5.25916s) stopped
T01 >> 1462347303.29169989 XC 3D grid (3934.49453s) started
T01 >> 1462347303.46682191 van der Waals (3797.34046s) started
T01 >> 1462347303.51114202 semilocal (857.38868s) started
T01 << 1462347305.75958395 semilocal (859.63712s) stopped
T01 >> 1462347305.79126406 redistribute (421.41710s) started
T01 << 1462347306.16678405 redistribute (421.79262s) stopped
T01 >> 1462347306.16685295 libvdwxc nonlocal (2489.54167s) started
T01 << 1462347312.85571694 libvdwxc nonlocal (2496.23054s) stopped
T01 >> 1462347312.85579205 redistribute (421.79265s) started
T01 << 1462347313.50078511 redistribute (422.43765s) stopped
T01 << 1462347313.50177407 van der Waals (3807.37541s) stopped
T01 << 1462347313.68480897 XC 3D grid (3944.88764s) stopped
T01 >> 1462347313.68485689 Poisson (816.13677s) started
T01 << 1462347316.07781291 Poisson (818.52973s) stopped
T01 >> 1462347316.07788396 Hartree integrate/restrict (31.11798s) started
T01 << 1462347316.09664297 Hartree integrate/restrict (31.13674s) stopped
T01 >> 1462347316.09670711 Hartree integrate/restrict (31.13678s) started
T01 << 1462347316.15904808 Hartree integrate/restrict (31.19912s) stopped
T01 >> 1462347316.17845297 Atomic (2423.81336s) started
T01 >> 1462347316.18878293 XC Correction (2418.85740s) started
T01 << 1462347322.61493206 XC Correction (2425.28354s) stopped
T01 << 1462347322.61803508 Atomic (2430.25294s) stopped
T01 >> 1462347322.61819100 Communicate (1840.60704s) started
T01 << 1462347327.11050606 Communicate (1845.09935s) stopped
T01 << 1462347327.11053300 Hamiltonian (9083.43929s) stopped
T01 >> 1462347327.11062407 LCAO eigensolver (3258.66023s) started
T01 >> 1462347327.11063695 Potential matrix (104.19439s) started
T01 << 1462347327.37021589 Potential matrix (104.45396s) stopped
T01 >> 1462347327.37029004 DistributedAtomicCorrection (540.13414s) started
T01 << 1462347328.72130704 DistributedAtomicCorrection (541.48516s) stopped
T01 >> 1462347328.72137094 Distribute overlap matrix (469.23337s) started
T01 >> 1462347328.72139406 blocked summation (444.88492s) started
T01 << 1462347329.77133203 blocked summation (445.93485s) stopped
T01 >> 1462347329.77333498 Scalapack redistribute (23.73680s) started
T01 << 1462347329.83364296 Scalapack redistribute (23.79711s) stopped
T01 << 1462347329.83372903 Distribute overlap matrix (470.34573s) stopped
T01 >> 1462347329.83430910 Blacs Orbital Layouts (1117.59825s) started
T01 >> 1462347329.83559608 General diagonalize (1095.42737s) started
T01 << 1462347332.51569295 General diagonalize (1098.10747s) stopped
T01 >> 1462347332.51575804 Redistribute coefs (1.18950s) started
T01 << 1462347332.51840210 Redistribute coefs (1.19214s) stopped
T01 >> 1462347332.51848602 Send coefs to domains (20.36812s) started
T01 << 1462347332.56924391 Send coefs to domains (20.41888s) stopped
T01 << 1462347332.56956410 Blacs Orbital Layouts (1120.33350s) stopped
T01 >> 1462347332.56961608 Calculate projections (1027.15921s) started
T01 << 1462347335.09315610 Calculate projections (1029.68275s) stopped
T01 << 1462347335.09343195 LCAO eigensolver (3266.64304s) stopped
T01 >> 1462347335.09413290 Density (798.48570s) started
T01 >> 1462347335.09414506 Pseudo density (660.04227s) started
T01 >> 1462347335.09465599 Calculate density matrix (593.29659s) started
T01 << 1462347336.62915993 Calculate density matrix (594.83109s) stopped
T01 >> 1462347336.62924790 Construct density (65.82388s) started
T01 << 1462347336.80482292 Construct density (65.99945s) stopped
T01 >> 1462347336.80624700 Symmetrize density (0.01663s) started
T01 << 1462347336.80627990 Symmetrize density (0.01666s) stopped
T01 << 1462347336.80673504 Pseudo density (661.75486s) stopped
T01 >> 1462347336.80675507 Atomic density matrices (91.59009s) started
T01 << 1462347337.04619098 Atomic density matrices (91.82952s) stopped
T01 >> 1462347337.04623199 Multipole moments (1.48358s) started
T01 << 1462347337.05009794 Multipole moments (1.48745s) stopped
T01 >> 1462347337.05012107 Normalize (0.40630s) started
T01 << 1462347337.05129695 Normalize (0.40748s) stopped
T01 >> 1462347337.05133295 Mix (44.93826s) started
T01 << 1462347337.16996694 Mix (45.05689s) stopped
T01 << 1462347337.17006993 Density (800.56164s) stopped
T01 >> 1462347337.17015791 Hamiltonian (9083.43930s) started
T01 >> 1462347337.17017794 vbar (5.25921s) started
T01 << 1462347337.18724298 vbar (5.27628s) stopped
T01 >> 1462347337.18739009 XC 3D grid (3944.88767s) started
T01 >> 1462347337.36330390 van der Waals (3807.37544s) started
T01 >> 1462347337.40704393 semilocal (859.63722s) started
T01 << 1462347339.61781192 semilocal (861.84798s) stopped
T01 >> 1462347339.65087008 redistribute (422.43769s) started
T01 << 1462347340.04735398 redistribute (422.83418s) stopped
T01 >> 1462347340.04742193 libvdwxc nonlocal (2496.23058s) started
T01 << 1462347346.72852707 libvdwxc nonlocal (2502.91169s) stopped
T01 >> 1462347346.72860408 redistribute (422.83421s) started
T01 << 1462347347.37359595 redistribute (423.47921s) stopped
T01 << 1462347347.37450695 van der Waals (3817.38664s) stopped
T01 << 1462347347.55558300 XC 3D grid (3955.25587s) stopped
T01 >> 1462347347.55562901 Poisson (818.52978s) started
T01 << 1462347349.94506097 Poisson (820.91921s) stopped
T01 >> 1462347349.94513106 Hartree integrate/restrict (31.19918s) started
T01 << 1462347349.96404004 Hartree integrate/restrict (31.21809s) stopped
T01 >> 1462347349.96412110 Hartree integrate/restrict (31.21814s) started
T01 << 1462347350.03116703 Hartree integrate/restrict (31.28519s) stopped
T01 >> 1462347350.04783010 Atomic (2430.25296s) started
T01 >> 1462347350.05819893 XC Correction (2425.28357s) started
T01 << 1462347356.52083111 XC Correction (2431.74620s) stopped
T01 << 1462347356.52397799 Atomic (2436.72911s) stopped
T01 >> 1462347356.52413106 Communicate (1845.09937s) started
T01 << 1462347361.04733610 Communicate (1849.62258s) stopped
T01 << 1462347361.04736304 Hamiltonian (9107.31650s) stopped
T01 >> 1462347361.04745698 LCAO eigensolver (3266.64306s) started
T01 >> 1462347361.04747105 Potential matrix (104.45400s) started
T01 << 1462347361.30876088 Potential matrix (104.71529s) stopped
T01 >> 1462347361.30883598 DistributedAtomicCorrection (541.48520s) started
T01 << 1462347362.66937399 DistributedAtomicCorrection (542.84573s) stopped
T01 >> 1462347362.66943598 Distribute overlap matrix (470.34574s) started
T01 >> 1462347362.66945910 blocked summation (445.93489s) started
T01 << 1462347363.71538997 blocked summation (446.98082s) stopped
T01 >> 1462347363.71737504 Scalapack redistribute (23.79715s) started
T01 << 1462347363.77655411 Scalapack redistribute (23.85633s) stopped
T01 << 1462347363.77663589 Distribute overlap matrix (471.45294s) stopped
T01 >> 1462347363.77722192 Blacs Orbital Layouts (1120.33352s) started
T01 >> 1462347363.77852798 General diagonalize (1098.10751s) started
T01 << 1462347366.47088599 General diagonalize (1100.79987s) stopped
T01 >> 1462347366.47094798 Redistribute coefs (1.19218s) started
T01 << 1462347366.47362804 Redistribute coefs (1.19486s) stopped
T01 >> 1462347366.47371411 Send coefs to domains (20.41892s) started
T01 << 1462347366.52452207 Send coefs to domains (20.46973s) stopped
T01 << 1462347366.52482796 Blacs Orbital Layouts (1123.08113s) stopped
T01 >> 1462347366.52487898 Calculate projections (1029.68280s) started
T01 << 1462347369.04848504 Calculate projections (1032.20641s) stopped
T01 << 1462347369.04876304 LCAO eigensolver (3274.64437s) stopped
T01 >> 1462347369.04964995 Density (800.56166s) started
T01 >> 1462347369.04966807 Pseudo density (661.75487s) started
T01 >> 1462347369.05017900 Calculate density matrix (594.83113s) started
T01 << 1462347370.58352399 Calculate density matrix (596.36448s) stopped
T01 >> 1462347370.58361197 Construct density (65.99949s) started
T01 << 1462347370.75934601 Construct density (66.17522s) stopped
T01 >> 1462347370.76094794 Symmetrize density (0.01667s) started
T01 << 1462347370.76097894 Symmetrize density (0.01670s) stopped
T01 << 1462347370.76142597 Pseudo density (663.46663s) stopped
T01 >> 1462347370.76144600 Atomic density matrices (91.82955s) started
T01 << 1462347371.00126600 Atomic density matrices (92.06937s) stopped
T01 >> 1462347371.00130701 Multipole moments (1.48746s) started
T01 << 1462347371.00523901 Multipole moments (1.49140s) stopped
T01 >> 1462347371.00526094 Normalize (0.40750s) started
T01 << 1462347371.00642490 Normalize (0.40867s) stopped
T01 >> 1462347371.00645900 Mix (45.05699s) started
T01 << 1462347371.12612104 Mix (45.17665s) stopped
T01 << 1462347371.12620091 Density (802.63821s) stopped
T01 >> 1462347371.12628603 Hamiltonian (9107.31652s) started
T01 >> 1462347371.12630391 vbar (5.27636s) started
T01 << 1462347371.14335704 vbar (5.29341s) stopped
T01 >> 1462347371.14345503 XC 3D grid (3955.25590s) started
T01 >> 1462347371.31977105 van der Waals (3817.38667s) started
T01 >> 1462347371.36507106 semilocal (861.84811s) started
T01 << 1462347373.59314704 semilocal (864.07618s) stopped
T01 >> 1462347373.62534595 redistribute (423.47925s) started
T01 << 1462347374.00327492 redistribute (423.85718s) stopped
T01 >> 1462347374.00334406 libvdwxc nonlocal (2502.91174s) started
T01 << 1462347380.70571494 libvdwxc nonlocal (2509.61411s) stopped
T01 >> 1462347380.70577908 redistribute (423.85722s) started
T01 << 1462347381.34815788 redistribute (424.49959s) stopped
T01 << 1462347381.34937811 van der Waals (3827.41628s) stopped
T01 << 1462347381.52871895 XC 3D grid (3965.64117s) stopped
T01 >> 1462347381.52877688 Poisson (820.91926s) started
T01 << 1462347383.91481209 Poisson (823.30529s) stopped
T01 >> 1462347383.91494012 Hartree integrate/restrict (31.28523s) started
T01 << 1462347383.93408394 Hartree integrate/restrict (31.30438s) stopped
T01 >> 1462347383.93420792 Hartree integrate/restrict (31.30447s) started
T01 << 1462347383.99559402 Hartree integrate/restrict (31.36585s) stopped
T01 >> 1462347384.01635408 Atomic (2436.72913s) started
T01 >> 1462347384.02680707 XC Correction (2431.74622s) started
T01 << 1462347390.42745590 XC Correction (2438.14687s) stopped
T01 << 1462347390.43060589 Atomic (2443.14338s) stopped
T01 >> 1462347390.43076396 Communicate (1849.62260s) started
T01 << 1462347394.92657304 Communicate (1854.11841s) stopped
T01 << 1462347394.92660189 Hamiltonian (9131.11683s) stopped
T01 >> 1462347394.92670488 LCAO eigensolver (3274.64438s) started
T01 >> 1462347394.92671895 Potential matrix (104.71533s) started
T01 << 1462347395.18799996 Potential matrix (104.97661s) stopped
T01 >> 1462347395.18807411 DistributedAtomicCorrection (542.84577s) started
T01 << 1462347396.55297303 DistributedAtomicCorrection (544.21067s) stopped
T01 >> 1462347396.55303597 Distribute overlap matrix (471.45295s) started
T01 >> 1462347396.55305791 blocked summation (446.98086s) started
T01 << 1462347397.59829092 blocked summation (448.02610s) stopped
T01 >> 1462347397.60079193 Scalapack redistribute (23.85637s) started
T01 << 1462347397.66037703 Scalapack redistribute (23.91596s) stopped
T01 << 1462347397.66045809 Distribute overlap matrix (472.56037s) stopped
T01 >> 1462347397.66106105 Blacs Orbital Layouts (1123.08114s) started
T01 >> 1462347397.66240692 General diagonalize (1100.79990s) started
T01 << 1462347400.35797501 General diagonalize (1103.49547s) stopped
T01 >> 1462347400.35803795 Redistribute coefs (1.19489s) started
T01 << 1462347400.36067891 Redistribute coefs (1.19754s) stopped
T01 >> 1462347400.36076188 Send coefs to domains (20.46977s) started
T01 << 1462347400.41211700 Send coefs to domains (20.52113s) stopped
T01 << 1462347400.41246605 Blacs Orbital Layouts (1125.83255s) stopped
T01 >> 1462347400.41252494 Calculate projections (1032.20646s) started
T01 << 1462347402.93602991 Calculate projections (1034.72997s) stopped
T01 << 1462347402.93646097 LCAO eigensolver (3282.65414s) stopped
T01 >> 1462347402.93718004 Density (802.63822s) started
T01 >> 1462347402.93719292 Pseudo density (663.46665s) started
T01 >> 1462347402.93770599 Calculate density matrix (596.36452s) started
T01 << 1462347404.47120094 Calculate density matrix (597.89801s) stopped
T01 >> 1462347404.47128701 Construct density (66.17526s) started
T01 << 1462347404.64774990 Construct density (66.35172s) stopped
T01 >> 1462347404.64916205 Symmetrize density (0.01672s) started
T01 << 1462347404.64919496 Symmetrize density (0.01675s) stopped
T01 << 1462347404.64964008 Pseudo density (665.17909s) stopped
T01 >> 1462347404.64966297 Atomic density matrices (92.06940s) started
T01 << 1462347404.88849497 Atomic density matrices (92.30824s) stopped
T01 >> 1462347404.88853598 Multipole moments (1.49141s) started
T01 << 1462347404.89247203 Multipole moments (1.49535s) stopped
T01 >> 1462347404.89249492 Normalize (0.40869s) started
T01 << 1462347404.89366603 Normalize (0.40986s) stopped
T01 >> 1462347404.89370203 Mix (45.17673s) started
T01 << 1462347405.01287007 Mix (45.29590s) stopped
T01 << 1462347405.01295400 Density (804.71400s) stopped
T01 >> 1462347405.01303411 Hamiltonian (9131.11685s) started
T01 >> 1462347405.01305199 vbar (5.29347s) started
T01 << 1462347405.03001595 vbar (5.31043s) stopped
T01 >> 1462347405.03012800 XC 3D grid (3965.64121s) started
T01 >> 1462347405.20677400 van der Waals (3827.41633s) started
T01 >> 1462347405.25194407 semilocal (864.07627s) started
T01 << 1462347407.49154091 semilocal (866.31587s) stopped
T01 >> 1462347407.52368999 redistribute (424.49964s) started
T01 << 1462347407.89698100 redistribute (424.87293s) stopped
T01 >> 1462347407.89704895 libvdwxc nonlocal (2509.61415s) started
T01 << 1462347414.60467100 libvdwxc nonlocal (2516.32177s) stopped
T01 >> 1462347414.60473490 redistribute (424.87297s) started
T01 << 1462347415.24908400 redistribute (425.51732s) stopped
T01 << 1462347415.25014997 van der Waals (3837.45971s) stopped
T01 << 1462347415.43274903 XC 3D grid (3976.04383s) stopped
T01 >> 1462347415.43279910 Poisson (823.30539s) started
T01 << 1462347417.23498797 Poisson (825.10758s) stopped
T01 >> 1462347417.23509097 Hartree integrate/restrict (31.36589s) started
T01 << 1462347417.25412703 Hartree integrate/restrict (31.38492s) stopped
T01 >> 1462347417.25417590 Hartree integrate/restrict (31.38496s) started
T01 << 1462347417.31630898 Hartree integrate/restrict (31.44709s) stopped
T01 >> 1462347417.33600903 Atomic (2443.14340s) started
T01 >> 1462347417.34638691 XC Correction (2438.14690s) started
T01 << 1462347423.83993793 XC Correction (2444.64045s) stopped
T01 << 1462347423.84306693 Atomic (2449.65045s) stopped
T01 >> 1462347423.84321594 Communicate (1854.11842s) started
T01 << 1462347428.32939196 Communicate (1858.60460s) stopped
T01 << 1462347428.32941794 Hamiltonian (9154.43323s) stopped
T01 >> 1462347428.32951188 LCAO eigensolver (3282.65416s) started
T01 >> 1462347428.32952595 Potential matrix (104.97666s) started
T01 << 1462347428.58966994 Potential matrix (105.23680s) stopped
T01 >> 1462347428.58974195 DistributedAtomicCorrection (544.21071s) started
T01 << 1462347429.94232798 DistributedAtomicCorrection (545.56329s) stopped
T01 >> 1462347429.94239092 Distribute overlap matrix (472.56038s) started
T01 >> 1462347429.94241309 blocked summation (448.02614s) started
T01 << 1462347430.99222708 blocked summation (449.07595s) stopped
T01 >> 1462347430.99421811 Scalapack redistribute (23.91599s) started
T01 << 1462347431.05303097 Scalapack redistribute (23.97480s) stopped
T01 << 1462347431.05311298 Distribute overlap matrix (473.67111s) stopped
T01 >> 1462347431.05370212 Blacs Orbital Layouts (1125.83257s) started
T01 >> 1462347431.05501390 General diagonalize (1103.49551s) started
T01 << 1462347433.74856091 General diagonalize (1106.18906s) stopped
T01 >> 1462347433.74862409 Redistribute coefs (1.19757s) started
T01 << 1462347433.75129294 Redistribute coefs (1.20024s) stopped
T01 >> 1462347433.75137711 Send coefs to domains (20.52122s) started
T01 << 1462347433.80224395 Send coefs to domains (20.57208s) stopped
T01 << 1462347433.80252290 Blacs Orbital Layouts (1128.58139s) stopped
T01 >> 1462347433.80257297 Calculate projections (1034.73002s) started
T01 << 1462347436.32594395 Calculate projections (1037.25339s) stopped
T01 << 1462347436.32622004 LCAO eigensolver (3290.65087s) stopped
T01 >> 1462347436.32692790 Density (804.71401s) started
T01 >> 1462347436.32694101 Pseudo density (665.17911s) started
T01 >> 1462347436.32745194 Calculate density matrix (597.89805s) started
T01 << 1462347437.85844111 Calculate density matrix (599.42904s) stopped
T01 >> 1462347437.85852599 Construct density (66.35175s) started
T01 << 1462347438.03394294 Construct density (66.52717s) stopped
T01 >> 1462347438.03536701 Symmetrize density (0.01676s) started
T01 << 1462347438.03539991 Symmetrize density (0.01679s) stopped
T01 << 1462347438.03585601 Pseudo density (666.88802s) stopped
T01 >> 1462347438.03587604 Atomic density matrices (92.30827s) started
T01 << 1462347438.27690911 Atomic density matrices (92.54930s) stopped
T01 >> 1462347438.27694988 Multipole moments (1.49536s) started
T01 << 1462347438.28087091 Multipole moments (1.49928s) stopped
T01 >> 1462347438.28089404 Normalize (0.40989s) started
T01 << 1462347438.28209305 Normalize (0.41109s) stopped
T01 >> 1462347438.28212690 Mix (45.29597s) started
T01 << 1462347438.40202904 Mix (45.41588s) stopped
T01 << 1462347438.40212607 Density (806.78921s) stopped
T01 >> 1462347438.40221190 Hamiltonian (9154.43324s) started
T01 >> 1462347438.40223002 vbar (5.31050s) started
T01 << 1462347438.41907191 vbar (5.32734s) stopped
T01 >> 1462347438.41919804 XC 3D grid (3976.04387s) started
T01 >> 1462347438.59824800 van der Waals (3837.45975s) started
T01 >> 1462347438.64295101 semilocal (866.31593s) started
T01 << 1462347440.87343693 semilocal (868.54642s) stopped
T01 >> 1462347440.90563798 redistribute (425.51736s) started
T01 << 1462347441.27744293 redistribute (425.88917s) stopped
T01 >> 1462347441.27751207 libvdwxc nonlocal (2516.32181s) started
T01 << 1462347447.94461203 libvdwxc nonlocal (2522.98891s) stopped
T01 >> 1462347447.94471312 redistribute (425.88921s) started
T01 << 1462347448.59694195 redistribute (426.54143s) stopped
T01 << 1462347448.59787989 van der Waals (3847.45938s) stopped
T01 << 1462347448.78118396 XC 3D grid (3986.40585s) stopped
T01 >> 1462347448.78123403 Poisson (825.10767s) started
T01 << 1462347450.58482003 Poisson (826.91125s) stopped
T01 >> 1462347450.58489203 Hartree integrate/restrict (31.44713s) started
T01 << 1462347450.60400891 Hartree integrate/restrict (31.46624s) stopped
T01 >> 1462347450.60407591 Hartree integrate/restrict (31.46629s) started
T01 << 1462347450.67195797 Hartree integrate/restrict (31.53417s) stopped
T01 >> 1462347450.68634009 Atomic (2449.65047s) started
T01 >> 1462347450.69683409 XC Correction (2444.64047s) started
T01 << 1462347457.14336896 XC Correction (2451.08701s) stopped
T01 << 1462347457.14650297 Atomic (2456.11063s) stopped
T01 >> 1462347457.14665294 Communicate (1858.60462s) started
T01 << 1462347461.71580291 Communicate (1863.17377s) stopped
T01 << 1462347461.71583104 Hamiltonian (9177.74686s) stopped
T01 >> 1462347461.71592999 LCAO eigensolver (3290.65088s) started
T01 >> 1462347461.71594405 Potential matrix (105.23684s) started
T01 << 1462347461.97829103 Potential matrix (105.49918s) stopped
T01 >> 1462347461.97836494 DistributedAtomicCorrection (545.56333s) started
T01 << 1462347463.34814501 DistributedAtomicCorrection (546.93311s) stopped
T01 >> 1462347463.34820795 Distribute overlap matrix (473.67112s) started
T01 >> 1462347463.34822989 blocked summation (449.07599s) started
T01 << 1462347464.38746595 blocked summation (450.11523s) stopped
T01 >> 1462347464.38931990 Scalapack redistribute (23.97484s) started
T01 << 1462347464.44900608 Scalapack redistribute (24.03453s) stopped
T01 << 1462347464.44911408 Distribute overlap matrix (474.77202s) stopped
T01 >> 1462347464.44969010 Blacs Orbital Layouts (1128.58141s) started
T01 >> 1462347464.45098400 General diagonalize (1106.18909s) started
T01 << 1462347467.14966393 General diagonalize (1108.88777s) stopped
T01 >> 1462347467.14972711 Redistribute coefs (1.20028s) started
T01 << 1462347467.15339398 Redistribute coefs (1.20394s) stopped
T01 >> 1462347467.15344310 Send coefs to domains (20.57212s) started
T01 << 1462347467.20308399 Send coefs to domains (20.62176s) stopped
T01 << 1462347467.20337009 Blacs Orbital Layouts (1131.33509s) stopped
T01 >> 1462347467.20342588 Calculate projections (1037.25344s) started
T01 << 1462347469.72688508 Calculate projections (1039.77690s) stopped
T01 << 1462347469.72716093 LCAO eigensolver (3298.66212s) stopped
T01 >> 1462347469.72805095 Density (806.78923s) started
T01 >> 1462347469.72806406 Pseudo density (666.88804s) started
T01 >> 1462347469.72856808 Calculate density matrix (599.42909s) started
T01 << 1462347471.26527095 Calculate density matrix (600.96579s) stopped
T01 >> 1462347471.26535797 Construct density (66.52720s) started
T01 << 1462347471.44116998 Construct density (66.70302s) stopped
T01 >> 1462347471.44274902 Symmetrize density (0.01681s) started
T01 << 1462347471.44278193 Symmetrize density (0.01684s) stopped
T01 << 1462347471.44322610 Pseudo density (668.60320s) stopped
T01 >> 1462347471.44324493 Atomic density matrices (92.54933s) started
T01 << 1462347471.68366504 Atomic density matrices (92.78975s) stopped
T01 >> 1462347471.68370605 Multipole moments (1.49930s) started
T01 << 1462347471.68762589 Multipole moments (1.50322s) stopped
T01 >> 1462347471.68764806 Normalize (0.41111s) started
T01 << 1462347471.68887401 Normalize (0.41234s) stopped
T01 >> 1462347471.68891096 Mix (45.41597s) started
T01 << 1462347471.80871391 Mix (45.53577s) stopped
T01 << 1462347471.80880308 Density (808.86998s) stopped
T01 >> 1462347471.80888891 Hamiltonian (9177.74688s) started
T01 >> 1462347471.80890894 vbar (5.32742s) started
T01 << 1462347471.82584906 vbar (5.34436s) stopped
T01 >> 1462347471.82596302 XC 3D grid (3986.40589s) started
T01 >> 1462347472.00477600 van der Waals (3847.45942s) started
T01 >> 1462347472.04889297 semilocal (868.54648s) started
T01 << 1462347474.28229904 semilocal (870.77989s) stopped
T01 >> 1462347474.31539202 redistribute (426.54148s) started
T01 << 1462347474.68971610 redistribute (426.91580s) stopped
T01 >> 1462347474.68978405 libvdwxc nonlocal (2522.98898s) started
T01 << 1462347481.37865400 libvdwxc nonlocal (2529.67785s) stopped
T01 >> 1462347481.37872100 redistribute (426.91584s) started
T01 << 1462347482.03204298 redistribute (427.56916s) stopped
T01 << 1462347482.03320789 van der Waals (3857.48785s) stopped
T01 << 1462347482.21338701 XC 3D grid (3996.79332s) stopped
T01 >> 1462347482.21344900 Poisson (826.91130s) started
T01 << 1462347484.01596403 Poisson (828.71382s) stopped
T01 >> 1462347484.01609802 Hartree integrate/restrict (31.53421s) started
T01 << 1462347484.03489995 Hartree integrate/restrict (31.55301s) stopped
T01 >> 1462347484.03502488 Hartree integrate/restrict (31.55309s) started
T01 << 1462347484.10236597 Hartree integrate/restrict (31.62043s) stopped
T01 >> 1462347484.11941600 Atomic (2456.11065s) started
T01 >> 1462347484.12983394 XC Correction (2451.08703s) started
T01 << 1462347490.65262890 XC Correction (2457.60983s) stopped
T01 << 1462347490.65576410 Atomic (2462.64700s) stopped
T01 >> 1462347490.65591502 Communicate (1863.17379s) started
T01 << 1462347495.18188691 Communicate (1867.69976s) stopped
T01 << 1462347495.18191409 Hamiltonian (9201.11990s) stopped
T01 >> 1462347495.18200898 LCAO eigensolver (3298.66213s) started
T01 >> 1462347495.18202209 Potential matrix (105.49922s) started
T01 << 1462347495.44206691 Potential matrix (105.75927s) stopped
T01 >> 1462347495.44214106 DistributedAtomicCorrection (546.93315s) started
T01 << 1462347496.79968810 DistributedAtomicCorrection (548.29069s) stopped
T01 >> 1462347496.79975104 Distribute overlap matrix (474.77204s) started
T01 >> 1462347496.79977393 blocked summation (450.11527s) started
T01 << 1462347497.86541510 blocked summation (451.18091s) stopped
T01 >> 1462347497.86769104 Scalapack redistribute (24.03459s) started
T01 << 1462347497.92625403 Scalapack redistribute (24.09315s) stopped
T01 << 1462347497.92633200 Distribute overlap matrix (475.89862s) stopped
T01 >> 1462347497.92693496 Blacs Orbital Layouts (1131.33510s) started
T01 >> 1462347497.92829204 General diagonalize (1108.88781s) started
T01 << 1462347500.66432500 General diagonalize (1111.62385s) stopped
T01 >> 1462347500.66438794 Redistribute coefs (1.20398s) started
T01 << 1462347500.66732907 Redistribute coefs (1.20692s) stopped
T01 >> 1462347500.66737700 Send coefs to domains (20.62181s) started
T01 << 1462347500.71715808 Send coefs to domains (20.67159s) stopped
T01 << 1462347500.71746111 Blacs Orbital Layouts (1134.12563s) stopped
T01 >> 1462347500.71751499 Calculate projections (1039.77696s) started
T01 << 1462347503.24082708 Calculate projections (1042.30027s) stopped
T01 << 1462347503.24126506 LCAO eigensolver (3306.72139s) stopped
T01 >> 1462347503.24200106 Density (808.86999s) started
T01 >> 1462347503.24201393 Pseudo density (668.60321s) started
T01 >> 1462347503.24252796 Calculate density matrix (600.96583s) started
T01 << 1462347504.77928305 Calculate density matrix (602.50259s) stopped
T01 >> 1462347504.77937293 Construct density (66.70305s) started
T01 << 1462347504.95586491 Construct density (66.87954s) stopped
T01 >> 1462347504.95730305 Symmetrize density (0.01685s) started
T01 << 1462347504.95733690 Symmetrize density (0.01688s) stopped
T01 << 1462347504.95779204 Pseudo density (670.31899s) stopped
T01 >> 1462347504.95781207 Atomic density matrices (92.78978s) started
T01 << 1462347505.19760895 Atomic density matrices (93.02957s) stopped
T01 >> 1462347505.19764996 Multipole moments (1.50323s) started
T01 << 1462347505.20162511 Multipole moments (1.50721s) stopped
T01 >> 1462347505.20164800 Normalize (0.41236s) started
T01 << 1462347505.20284009 Normalize (0.41356s) stopped
T01 >> 1462347505.20287490 Mix (45.53586s) started
T01 << 1462347505.32243705 Mix (45.65542s) stopped
T01 << 1462347505.32253098 Density (810.95052s) stopped
T01 >> 1462347505.32261705 Hamiltonian (9201.11991s) started
T01 >> 1462347505.32263494 vbar (5.34443s) started
T01 << 1462347505.33958793 vbar (5.36138s) stopped
T01 >> 1462347505.33971906 XC 3D grid (3996.79336s) started
T01 >> 1462347505.51862097 van der Waals (3857.48791s) started
T01 >> 1462347505.56387210 semilocal (870.77996s) started
T01 << 1462347507.78709793 semilocal (873.00318s) stopped
T01 >> 1462347507.81813002 redistribute (427.56920s) started
T01 << 1462347508.19223404 redistribute (427.94331s) stopped
T01 >> 1462347508.19230199 libvdwxc nonlocal (2529.67790s) started
T01 << 1462347514.89066195 libvdwxc nonlocal (2536.37626s) stopped
T01 >> 1462347514.89072895 redistribute (427.94335s) started
T01 << 1462347515.54403806 redistribute (428.59666s) stopped
T01 << 1462347515.54499292 van der Waals (3867.51428s) stopped
T01 << 1462347515.72538304 XC 3D grid (4007.17903s) stopped
T01 >> 1462347515.72543311 Poisson (828.71392s) started
T01 << 1462347517.52601695 Poisson (830.51451s) stopped
T01 >> 1462347517.52608895 Hartree integrate/restrict (31.62047s) started
T01 << 1462347517.54526210 Hartree integrate/restrict (31.63964s) stopped
T01 >> 1462347517.54531002 Hartree integrate/restrict (31.63967s) started
T01 << 1462347517.60709691 Hartree integrate/restrict (31.70146s) stopped
T01 >> 1462347517.63007212 Atomic (2462.64702s) started
T01 >> 1462347517.64050102 XC Correction (2457.60985s) started
T01 << 1462347524.03389907 XC Correction (2464.00325s) stopped
T01 << 1462347524.03704190 Atomic (2469.05399s) stopped
T01 >> 1462347524.03719592 Communicate (1867.69978s) started
T01 << 1462347528.88024092 Communicate (1872.54282s) stopped
T01 << 1462347528.88027000 Hamiltonian (9224.67757s) stopped
T01 >> 1462347528.88036799 LCAO eigensolver (3306.72141s) started
T01 >> 1462347528.88038111 Potential matrix (105.75931s) started
T01 << 1462347529.13977790 Potential matrix (106.01870s) stopped
T01 >> 1462347529.13985300 DistributedAtomicCorrection (548.29073s) started
T01 << 1462347530.49872589 DistributedAtomicCorrection (549.64960s) stopped
T01 >> 1462347530.49879003 Distribute overlap matrix (475.89863s) started
T01 >> 1462347530.49881196 blocked summation (451.18095s) started
T01 << 1462347531.55245996 blocked summation (452.23459s) stopped
T01 >> 1462347531.55420399 Scalapack redistribute (24.09319s) started
T01 << 1462347531.61228108 Scalapack redistribute (24.15127s) stopped
T01 << 1462347531.61236095 Distribute overlap matrix (477.01220s) stopped
T01 >> 1462347531.61293888 Blacs Orbital Layouts (1134.12565s) started
T01 >> 1462347531.61421990 General diagonalize (1111.62388s) started
T01 << 1462347534.31154299 General diagonalize (1114.32121s) stopped
T01 >> 1462347534.31160688 Redistribute coefs (1.20696s) started
T01 << 1462347534.31532097 Redistribute coefs (1.21067s) stopped
T01 >> 1462347534.31536698 Send coefs to domains (20.67164s) started
T01 << 1462347534.36490512 Send coefs to domains (20.72117s) stopped
T01 << 1462347534.36520100 Blacs Orbital Layouts (1136.87791s) stopped
T01 >> 1462347534.36525512 Calculate projections (1042.30032s) started
T01 << 1462347536.88879299 Calculate projections (1044.82386s) stopped
T01 << 1462347536.88906789 LCAO eigensolver (3314.73011s) stopped
T01 >> 1462347536.88978696 Density (810.95054s) started
T01 >> 1462347536.88980007 Pseudo density (670.31901s) started
T01 >> 1462347536.89031506 Calculate density matrix (602.50263s) started
T01 << 1462347538.42693901 Calculate density matrix (604.03925s) stopped
T01 >> 1462347538.42702198 Construct density (66.87958s) started
T01 << 1462347538.60241604 Construct density (67.05497s) stopped
T01 >> 1462347538.60385990 Symmetrize density (0.01690s) started
T01 << 1462347538.60389209 Symmetrize density (0.01693s) stopped
T01 << 1462347538.60433602 Pseudo density (672.03354s) stopped
T01 >> 1462347538.60435510 Atomic density matrices (93.02960s) started
T01 << 1462347538.84549093 Atomic density matrices (93.27074s) stopped
T01 >> 1462347538.84553194 Multipole moments (1.50722s) started
T01 << 1462347538.84949994 Multipole moments (1.51119s) stopped
T01 >> 1462347538.84952307 Normalize (0.41358s) started
T01 << 1462347538.85072494 Normalize (0.41478s) stopped
T01 >> 1462347538.85075998 Mix (45.65551s) started
T01 << 1462347538.96986198 Mix (45.77461s) stopped
T01 << 1462347538.96992612 Density (813.03068s) stopped
T01 >> 1462347538.97000694 Hamiltonian (9224.67758s) started
T01 >> 1462347538.97002506 vbar (5.36145s) started
T01 << 1462347538.98708892 vbar (5.37851s) stopped
T01 >> 1462347538.98716497 XC 3D grid (4007.17907s) started
T01 >> 1462347539.16097307 van der Waals (3867.51433s) started
T01 >> 1462347539.20473003 semilocal (873.00328s) started
T01 << 1462347541.41939402 semilocal (875.21795s) stopped
T01 >> 1462347541.45311594 redistribute (428.59670s) started
T01 << 1462347541.84444499 redistribute (428.98803s) stopped
T01 >> 1462347541.84451389 libvdwxc nonlocal (2536.37630s) started
T01 << 1462347548.50962210 libvdwxc nonlocal (2543.04141s) stopped
T01 >> 1462347548.50973010 redistribute (428.98807s) started
T01 << 1462347549.16252899 redistribute (429.64087s) stopped
T01 << 1462347549.16350389 van der Waals (3877.51686s) stopped
T01 << 1462347549.34381604 XC 3D grid (4017.53572s) stopped
T01 >> 1462347549.34386611 Poisson (830.51456s) started
T01 << 1462347551.14517307 Poisson (832.31587s) stopped
T01 >> 1462347551.14524698 Hartree integrate/restrict (31.70149s) started
T01 << 1462347551.16405797 Hartree integrate/restrict (31.72030s) stopped
T01 >> 1462347551.16415811 Hartree integrate/restrict (31.72038s) started
T01 << 1462347551.22525501 Hartree integrate/restrict (31.78147s) stopped
T01 >> 1462347551.24860001 Atomic (2469.05400s) started
T01 >> 1462347551.25898409 XC Correction (2464.00327s) started
T01 << 1462347557.72789097 XC Correction (2470.47218s) stopped
T01 << 1462347557.73102999 Atomic (2475.53643s) stopped
T01 >> 1462347557.73118091 Communicate (1872.54284s) started
T01 << 1462347562.22864294 Communicate (1877.04030s) stopped
T01 << 1462347562.22867393 Hamiltonian (9247.93625s) stopped
T01 >> 1462347562.22877002 LCAO eigensolver (3314.73013s) started
T01 >> 1462347562.22878289 Potential matrix (106.01875s) started
T01 << 1462347562.49157691 Potential matrix (106.28154s) stopped
T01 >> 1462347562.49165106 DistributedAtomicCorrection (549.64964s) started
T01 << 1462347563.85492110 DistributedAtomicCorrection (551.01291s) stopped
T01 >> 1462347563.85498405 Distribute overlap matrix (477.01221s) started
T01 >> 1462347563.85500693 blocked summation (452.23463s) started
T01 << 1462347564.90727305 blocked summation (453.28690s) stopped
T01 >> 1462347564.90908694 Scalapack redistribute (24.15130s) started
T01 << 1462347564.96866894 Scalapack redistribute (24.21089s) stopped
T01 << 1462347564.96874905 Distribute overlap matrix (478.12598s) stopped
T01 >> 1462347564.96932411 Blacs Orbital Layouts (1136.87793s) started
T01 >> 1462347564.97062802 General diagonalize (1114.32124s) started
T01 << 1462347567.66618299 General diagonalize (1117.01680s) stopped
T01 >> 1462347567.66624498 Redistribute coefs (1.21071s) started
T01 << 1462347567.66897106 Redistribute coefs (1.21344s) stopped
T01 >> 1462347567.66905189 Send coefs to domains (20.72122s) started
T01 << 1462347567.71962190 Send coefs to domains (20.77179s) stopped
T01 << 1462347567.71989393 Blacs Orbital Layouts (1139.62850s) stopped
T01 >> 1462347567.71995091 Calculate projections (1044.82391s) started
T01 << 1462347570.24333906 Calculate projections (1047.34730s) stopped
T01 << 1462347570.24361205 LCAO eigensolver (3322.74497s) stopped
T01 >> 1462347570.24450707 Density (813.03070s) started
T01 >> 1462347570.24451995 Pseudo density (672.03356s) started
T01 >> 1462347570.24503398 Calculate density matrix (604.03930s) started
T01 << 1462347571.78167510 Calculate density matrix (605.57594s) stopped
T01 >> 1462347571.78175902 Construct density (67.05501s) started
T01 << 1462347571.95752192 Construct density (67.23077s) stopped
T01 >> 1462347571.95911098 Symmetrize density (0.01694s) started
T01 << 1462347571.95914292 Symmetrize density (0.01697s) stopped
T01 << 1462347571.95958591 Pseudo density (673.74862s) stopped
T01 >> 1462347571.95960593 Atomic density matrices (93.27077s) started
T01 << 1462347572.19965005 Atomic density matrices (93.51081s) stopped
T01 >> 1462347572.19969511 Multipole moments (1.51121s) started
T01 << 1462347572.20371509 Multipole moments (1.51523s) stopped
T01 >> 1462347572.20373893 Normalize (0.41481s) started
T01 << 1462347572.20491910 Normalize (0.41599s) stopped
T01 >> 1462347572.20495391 Mix (45.77468s) started
T01 << 1462347572.32629800 Mix (45.89602s) stopped
T01 << 1462347572.32634211 Density (815.11253s) stopped
T01 >> 1462347572.32641697 Hamiltonian (9247.93626s) started
T01 >> 1462347572.32643604 vbar (5.37856s) started
T01 << 1462347572.34295511 vbar (5.39508s) stopped
T01 >> 1462347572.34301901 XC 3D grid (4017.53575s) started
T01 >> 1462347572.51999903 van der Waals (3877.51690s) started
T01 >> 1462347572.56473088 semilocal (875.21805s) started
T01 << 1462347574.78267503 semilocal (877.43600s) stopped
T01 >> 1462347574.81492090 redistribute (429.64091s) started
T01 << 1462347575.19564605 redistribute (430.02164s) stopped
T01 >> 1462347575.19571710 libvdwxc nonlocal (2543.04149s) started
T01 << 1462347581.89702201 libvdwxc nonlocal (2549.74280s) stopped
T01 >> 1462347581.89708304 redistribute (430.02168s) started
T01 << 1462347582.54306412 redistribute (430.66766s) stopped
T01 << 1462347582.54418802 van der Waals (3887.54109s) stopped
T01 << 1462347582.72713900 XC 3D grid (4027.91987s) stopped
T01 >> 1462347582.72718906 Poisson (832.31592s) started
T01 << 1462347583.93969011 Poisson (833.52842s) stopped
T01 >> 1462347583.93981504 Hartree integrate/restrict (31.78151s) started
T01 << 1462347583.95889306 Hartree integrate/restrict (31.80059s) stopped
T01 >> 1462347583.95901108 Hartree integrate/restrict (31.80067s) started
T01 << 1462347584.02135491 Hartree integrate/restrict (31.86301s) stopped
T01 >> 1462347584.04097509 Atomic (2475.53645s) started
T01 >> 1462347584.05138493 XC Correction (2470.47220s) started
T01 << 1462347590.55296612 XC Correction (2476.97379s) stopped
T01 << 1462347590.55610394 Atomic (2482.05158s) stopped
T01 >> 1462347590.55626106 Communicate (1877.04032s) started
T01 << 1462347594.99958611 Communicate (1881.48365s) stopped
T01 << 1462347594.99961209 Hamiltonian (9270.60945s) stopped
T01 >> 1462347594.99970603 LCAO eigensolver (3322.74499s) started
T01 >> 1462347594.99972010 Potential matrix (106.28158s) started
T01 << 1462347595.25963092 Potential matrix (106.54149s) stopped
T01 >> 1462347595.25970888 DistributedAtomicCorrection (551.01295s) started
T01 << 1462347596.61497903 DistributedAtomicCorrection (552.36822s) stopped
T01 >> 1462347596.61504197 Distribute overlap matrix (478.12599s) started
T01 >> 1462347596.61506391 blocked summation (453.28694s) started
T01 << 1462347597.67659807 blocked summation (454.34848s) stopped
T01 >> 1462347597.67894101 Scalapack redistribute (24.21092s) started
T01 << 1462347597.73738909 Scalapack redistribute (24.26937s) stopped
T01 << 1462347597.73746800 Distribute overlap matrix (479.24842s) stopped
T01 >> 1462347597.73807406 Blacs Orbital Layouts (1139.62852s) started
T01 >> 1462347597.73943806 General diagonalize (1117.01684s) started
T01 << 1462347600.46727204 General diagonalize (1119.74467s) stopped
T01 >> 1462347600.46733499 Redistribute coefs (1.21347s) started
T01 << 1462347600.47000289 Redistribute coefs (1.21614s) stopped
T01 >> 1462347600.47008491 Send coefs to domains (20.77183s) started
T01 << 1462347600.52007103 Send coefs to domains (20.82182s) stopped
T01 << 1462347600.52037096 Blacs Orbital Layouts (1142.41081s) stopped
T01 >> 1462347600.52043104 Calculate projections (1047.34736s) started
T01 << 1462347603.04382205 Calculate projections (1049.87075s) stopped
T01 << 1462347603.04426694 LCAO eigensolver (3330.78955s) stopped
T01 >> 1462347603.04501009 Density (815.11254s) started
T01 >> 1462347603.04502296 Pseudo density (673.74864s) started
T01 >> 1462347603.04553008 Calculate density matrix (605.57598s) started
T01 << 1462347604.59445810 Calculate density matrix (607.12491s) stopped
T01 >> 1462347604.59454703 Construct density (67.23081s) started
T01 << 1462347604.77106309 Construct density (67.40732s) stopped
T01 >> 1462347604.77246809 Symmetrize density (0.01698s) started
T01 << 1462347604.77250099 Symmetrize density (0.01701s) stopped
T01 << 1462347604.77295589 Pseudo density (675.47657s) stopped
T01 >> 1462347604.77297711 Atomic density matrices (93.51084s) started
T01 << 1462347605.01307702 Atomic density matrices (93.75094s) stopped
T01 >> 1462347605.01311803 Multipole moments (1.51524s) started
T01 << 1462347605.01709509 Multipole moments (1.51922s) stopped
T01 >> 1462347605.01711798 Normalize (0.41601s) started
T01 << 1462347605.01830101 Normalize (0.41720s) stopped
T01 >> 1462347605.01833701 Mix (45.89606s) started
T01 << 1462347605.13753009 Mix (46.01526s) stopped
T01 << 1462347605.13759398 Density (817.20513s) stopped
T01 >> 1462347605.13767600 Hamiltonian (9270.60947s) started
T01 >> 1462347605.13769603 vbar (5.39511s) started
T01 << 1462347605.15486908 vbar (5.41229s) stopped
T01 >> 1462347605.15494394 XC 3D grid (4027.91991s) started
T01 >> 1462347605.33024311 van der Waals (3887.54114s) started
T01 >> 1462347605.37490702 semilocal (877.43611s) started
T01 << 1462347607.60243106 semilocal (879.66363s) stopped
T01 >> 1462347607.63609791 redistribute (430.66771s) started
T01 << 1462347608.03454399 redistribute (431.06615s) stopped
T01 >> 1462347608.03461099 libvdwxc nonlocal (2549.74283s) started
T01 << 1462347614.74447393 libvdwxc nonlocal (2556.45269s) stopped
T01 >> 1462347614.74453998 redistribute (431.06619s) started
T01 << 1462347615.39179707 redistribute (431.71345s) stopped
T01 << 1462347615.39281297 van der Waals (3897.60371s) stopped
T01 << 1462347615.57553911 XC 3D grid (4038.34050s) stopped
T01 >> 1462347615.57558298 Poisson (833.52852s) started
T01 << 1462347617.37718391 Poisson (835.33012s) stopped
T01 >> 1462347617.37729001 Hartree integrate/restrict (31.86309s) started
T01 << 1462347617.39622211 Hartree integrate/restrict (31.88203s) stopped
T01 >> 1462347617.39629006 Hartree integrate/restrict (31.88207s) started
T01 << 1462347617.45877790 Hartree integrate/restrict (31.94456s) stopped
T01 >> 1462347617.47821093 Atomic (2482.05160s) started
T01 >> 1462347617.48864889 XC Correction (2476.97381s) started
T01 << 1462347623.94689393 XC Correction (2483.43206s) stopped
T01 << 1462347623.95002890 Atomic (2488.52342s) stopped
T01 >> 1462347623.95018005 Communicate (1881.48366s) started
T01 << 1462347628.44801998 Communicate (1885.98150s) stopped
T01 << 1462347628.44804692 Hamiltonian (9293.91984s) stopped
T01 >> 1462347628.44814396 LCAO eigensolver (3330.78957s) started
T01 >> 1462347628.44815803 Potential matrix (106.54153s) started
T01 << 1462347628.70924592 Potential matrix (106.80262s) stopped
T01 >> 1462347628.70931792 DistributedAtomicCorrection (552.36826s) started
T01 << 1462347630.07721710 DistributedAtomicCorrection (553.73615s) stopped
T01 >> 1462347630.07728004 Distribute overlap matrix (479.24843s) started
T01 >> 1462347630.07730198 blocked summation (454.34852s) started
T01 << 1462347631.12876010 blocked summation (455.39997s) stopped
T01 >> 1462347631.13075900 Scalapack redistribute (24.26941s) started
T01 << 1462347631.18944502 Scalapack redistribute (24.32809s) stopped
T01 << 1462347631.18952489 Distribute overlap matrix (480.36067s) stopped
T01 >> 1462347631.19011497 Blacs Orbital Layouts (1142.41083s) started
T01 >> 1462347631.19142890 General diagonalize (1119.74471s) started
T01 << 1462347633.88931894 General diagonalize (1122.44260s) stopped
T01 >> 1462347633.88938093 Redistribute coefs (1.21617s) started
T01 << 1462347633.89204192 Redistribute coefs (1.21883s) stopped
T01 >> 1462347633.89212608 Send coefs to domains (20.82186s) started
T01 << 1462347633.94346499 Send coefs to domains (20.87320s) stopped
T01 << 1462347633.94379401 Blacs Orbital Layouts (1145.16451s) stopped
T01 >> 1462347633.94385004 Calculate projections (1049.87080s) started
T01 << 1462347636.46715999 Calculate projections (1052.39411s) stopped
T01 << 1462347636.46743798 LCAO eigensolver (3338.80886s) stopped
T01 << 1462347636.46814895 SCF-cycle (13450.27715s) stopped
T01 >> 1462347637.31246090 Force calculation (627.40189s) started
T01 >> 1462347637.31251693 LCAO forces (397.13010s) started
T01 >> 1462347637.31287193 Initial (0.00047s) started
T01 << 1462347637.31288290 Initial (0.00048s) stopped
T01 >> 1462347637.31712008 Get density matrix (77.08417s) started
T01 << 1462347637.92063999 Get density matrix (77.68769s) stopped
T01 >> 1462347637.92069101 Potential (28.45970s) started
T01 << 1462347639.30955195 Potential (29.84856s) stopped
T01 >> 1462347639.30960488 Get density matrix (77.68773s) started
T01 << 1462347642.53102589 Get density matrix (80.90916s) stopped
T01 >> 1462347642.53109193 Prepare TCI loop (39.71360s) started
T01 >> 1462347642.53159690 Get neighbors (35.69730s) started
T01 << 1462347644.32862592 Get neighbors (37.49433s) stopped
T01 >> 1462347644.32885504 broadcast dH (4.00213s) started
T01 << 1462347644.45515800 broadcast dH (4.12843s) stopped
T01 << 1462347644.45520401 Prepare TCI loop (41.63771s) stopped
T01 >> 1462347644.45522189 Not so complicated loop (55.65771s) started
T01 << 1462347647.25255299 Not so complicated loop (58.45504s) stopped
T01 >> 1462347647.37548399 Complicated loop (193.47354s) started
T01 << 1462347656.85125494 Complicated loop (202.94931s) stopped
T01 >> 1462347656.87179208 Wait for sum (0.00115s) started
T01 << 1462347656.87183905 Wait for sum (0.00120s) stopped
T01 << 1462347656.87185311 LCAO forces (416.68944s) stopped
T01 << 1462347669.21093893 Force calculation (659.30036s) stopped
T01 >> 1462347669.22856593 Initialization (1095.23792s) started
T01 << 1462347669.22875595 Initialization (1095.23811s) stopped
T01 >> 1462347669.22900891 Initialization (1095.23813s) started
T01 << 1462347669.22914004 Initialization (1095.23826s) stopped
T01 >> 1462347669.22929502 Initialization (1095.23829s) started
T01 << 1462347669.22942495 Initialization (1095.23842s) stopped
T01 >> 1462347689.57754803 Initialization (1095.23844s) started
T01 >> 1462347689.65861201 Basic WFS set positions (2.10961s) started
T01 >> 1462347689.65863895 Redistribute (0.03799s) started
T01 << 1462347689.65879107 Redistribute (0.03814s) stopped
T01 << 1462347689.75378299 Basic WFS set positions (2.20479s) stopped
T01 >> 1462347689.75381494 Basis functions set positions (9.16538s) started
T01 << 1462347690.15981507 Basis functions set positions (9.57138s) stopped
T01 >> 1462347690.16075897 TCI: Calculate S, T, P (327.29305s) started
T01 << 1462347705.54937696 TCI: Calculate S, T, P (342.68167s) stopped
T01 >> 1462347705.54947591 blocked summation (86.73896s) started
T01 << 1462347709.04484391 blocked summation (90.23433s) stopped
T01 >> 1462347709.04673100 Scalapack redistribute (4.91061s) started
T01 << 1462347709.10658312 Scalapack redistribute (4.97046s) stopped
T01 >> 1462347709.10692596 blocked summation (90.23438s) started
T01 << 1462347709.27928400 blocked summation (90.40674s) stopped
T01 >> 1462347709.28104997 Scalapack redistribute (4.97053s) started
T01 << 1462347709.47869802 Scalapack redistribute (5.16818s) stopped
T01 >> 1462347709.48009801 Redistribute (0.04253s) started
T01 << 1462347709.48110890 Redistribute (0.04354s) stopped
T01 >> 1462347710.37909508 Redistribute (0.04355s) started
T01 << 1462347710.38008404 Redistribute (0.04454s) stopped
T01 >> 1462347710.39071393 LCAO WFS Initialize (641.38438s) started
T01 >> 1462347710.39074206 Density initialize from wavefunctions (25.36367s) started
T01 >> 1462347710.39117908 Calculate density matrix (14.74907s) started
T01 << 1462347711.09840894 Calculate density matrix (15.45630s) stopped
T01 >> 1462347711.09847593 Construct density (3.59696s) started
T01 << 1462347711.27422500 Construct density (3.77271s) stopped
T01 >> 1462347711.27586198 Symmetrize density (0.00089s) started
T01 << 1462347711.27589393 Symmetrize density (0.00092s) stopped
T01 << 1462347711.61014199 Density initialize from wavefunctions (26.58307s) stopped
T01 >> 1462347711.61067104 Hamiltonian (615.81323s) started
T01 >> 1462347711.61069798 vbar (0.30762s) started
T01 << 1462347711.62760711 vbar (0.32453s) stopped
T01 >> 1462347711.62768197 XC 3D grid (225.18456s) started
T01 >> 1462347711.80371690 van der Waals (217.35995s) started
T01 >> 1462347711.84714103 semilocal (48.78418s) started
T01 << 1462347714.07306790 semilocal (51.01011s) stopped
T01 >> 1462347714.10621405 redistribute (23.92365s) started
T01 << 1462347714.48658895 redistribute (24.30403s) stopped
T01 >> 1462347714.48663902 libvdwxc nonlocal (142.99501s) started
T01 << 1462347721.21031809 libvdwxc nonlocal (149.71869s) stopped
T01 >> 1462347721.21039009 redistribute (24.30407s) started
T01 << 1462347721.84598303 redistribute (24.93966s) stopped
T01 << 1462347721.84734797 van der Waals (227.40359s) stopped
T01 << 1462347722.02947092 XC 3D grid (235.58635s) stopped
T01 >> 1462347722.02951908 Poisson (104.87727s) started
T01 << 1462347726.75037098 Poisson (109.59812s) stopped
T01 >> 1462347726.75043893 Hartree integrate/restrict (1.76128s) started
T01 << 1462347726.76933599 Hartree integrate/restrict (1.78018s) stopped
T01 >> 1462347726.76941109 Hartree integrate/restrict (1.78023s) started
T01 << 1462347726.83607793 Hartree integrate/restrict (1.84690s) stopped
T01 >> 1462347726.85298896 Atomic (146.52705s) started
T01 >> 1462347726.86350703 XC Correction (146.23774s) started
T01 << 1462347733.68807602 XC Correction (153.06231s) stopped
T01 << 1462347733.69126010 Atomic (153.36532s) stopped
T01 >> 1462347733.69152093 Communicate (136.66746s) started
T01 << 1462347739.67338204 Communicate (142.64932s) stopped
T01 << 1462347739.67340994 Hamiltonian (643.87597s) stopped
T01 << 1462347739.67346311 LCAO WFS Initialize (670.66713s) stopped
T01 << 1462347739.68584991 Initialization (1145.34674s) stopped
T01 >> 1462347739.71095991 SCF-cycle (13450.27717s) started
T01 >> 1462347739.71100092 LCAO eigensolver (3338.80888s) started
T01 >> 1462347739.71101403 Potential matrix (106.80266s) started
T01 << 1462347739.97057891 Potential matrix (107.06223s) stopped
T01 >> 1462347739.97065592 DistributedAtomicCorrection (553.73619s) started
T01 << 1462347741.31465602 DistributedAtomicCorrection (555.08019s) stopped
T01 >> 1462347741.31474209 Distribute overlap matrix (480.36069s) started
T01 >> 1462347741.31476498 blocked summation (455.40002s) started
T01 << 1462347742.39635897 blocked summation (456.48161s) stopped
T01 >> 1462347742.39775300 Scalapack redistribute (24.32813s) started
T01 << 1462347742.45536995 Scalapack redistribute (24.38575s) stopped
T01 << 1462347742.45544910 Distribute overlap matrix (481.50139s) stopped
T01 >> 1462347742.45602608 Blacs Orbital Layouts (1145.16453s) started
T01 >> 1462347742.45704699 General diagonalize (1122.44264s) started
T01 << 1462347745.17811704 General diagonalize (1125.16371s) stopped
T01 >> 1462347745.17816901 Redistribute coefs (1.21887s) started
T01 << 1462347745.18117809 Redistribute coefs (1.22188s) stopped
T01 >> 1462347745.18122196 Send coefs to domains (20.87324s) started
T01 << 1462347745.23194695 Send coefs to domains (20.92397s) stopped
T01 << 1462347745.23200297 Blacs Orbital Layouts (1147.94050s) stopped
T01 >> 1462347745.23202896 Calculate projections (1052.39416s) started
T01 << 1462347747.75557303 Calculate projections (1054.91771s) stopped
T01 << 1462347747.75565290 LCAO eigensolver (3346.85353s) stopped
T01 >> 1462347747.75632191 Density (817.20514s) started
T01 >> 1462347747.75633502 Pseudo density (675.47658s) started
T01 >> 1462347747.75673294 Calculate density matrix (607.12495s) started
T01 << 1462347749.28729010 Calculate density matrix (608.65551s) stopped
T01 >> 1462347749.28735590 Construct density (67.40736s) started
T01 << 1462347749.46350694 Construct density (67.58351s) stopped
T01 >> 1462347749.46493602 Symmetrize density (0.01703s) started
T01 << 1462347749.46496892 Symmetrize density (0.01706s) stopped
T01 << 1462347749.46544290 Pseudo density (677.18569s) stopped
T01 >> 1462347749.46546292 Atomic density matrices (93.75097s) started
T01 << 1462347749.70716596 Atomic density matrices (93.99267s) stopped
T01 >> 1462347749.70720696 Multipole moments (1.51924s) started
T01 << 1462347749.71107697 Multipole moments (1.52311s) stopped
T01 >> 1462347749.71110010 Normalize (0.41722s) started
T01 << 1462347749.71216607 Normalize (0.41829s) stopped
T01 >> 1462347749.71220112 Mix (46.01532s) started
T01 << 1462347749.81422591 Mix (46.11734s) stopped
T01 << 1462347749.81431890 Density (819.26314s) stopped
T01 >> 1462347749.81440711 Hamiltonian (9293.91985s) started
T01 >> 1462347749.81442595 vbar (5.41233s) started
T01 << 1462347749.83075190 vbar (5.42866s) stopped
T01 >> 1462347749.83095407 XC 3D grid (4038.34054s) started
T01 >> 1462347750.00625491 van der Waals (3897.60374s) started
T01 >> 1462347750.04855609 semilocal (879.66372s) started
T01 << 1462347752.27489996 semilocal (881.89006s) stopped
T01 >> 1462347752.30802298 redistribute (431.71349s) started
T01 << 1462347752.69152498 redistribute (432.09699s) stopped
T01 >> 1462347752.69159007 libvdwxc nonlocal (2556.45273s) started
T01 << 1462347759.40852189 libvdwxc nonlocal (2563.16967s) stopped
T01 >> 1462347759.40860510 redistribute (432.09703s) started
T01 << 1462347760.05238891 redistribute (432.74082s) stopped
T01 << 1462347760.05355906 van der Waals (3907.65104s) stopped
T01 << 1462347760.23279905 XC 3D grid (4048.74239s) stopped
T01 >> 1462347760.23284507 Poisson (835.33021s) started
T01 << 1462347762.61307907 Poisson (837.71044s) stopped
T01 >> 1462347762.61315703 Hartree integrate/restrict (31.94459s) started
T01 << 1462347762.63210607 Hartree integrate/restrict (31.96354s) stopped
T01 >> 1462347762.63217092 Hartree integrate/restrict (31.96359s) started
T01 << 1462347762.69470596 Hartree integrate/restrict (32.02612s) stopped
T01 >> 1462347762.71774507 Atomic (2488.52343s) started
T01 >> 1462347762.72797608 XC Correction (2483.43208s) started
T01 << 1462347769.55512309 XC Correction (2490.25923s) stopped
T01 << 1462347769.55825996 Atomic (2495.36395s) stopped
T01 >> 1462347769.55841303 Communicate (1885.98152s) started
T01 << 1462347775.26199508 Communicate (1891.68511s) stopped
T01 << 1462347775.26202393 Hamiltonian (9319.36747s) stopped
T01 >> 1462347775.26211810 LCAO eigensolver (3346.85355s) started
T01 >> 1462347775.26213193 Potential matrix (107.06227s) started
T01 << 1462347775.52327704 Potential matrix (107.32341s) stopped
T01 >> 1462347775.52335000 DistributedAtomicCorrection (555.08023s) started
T01 << 1462347776.85759211 DistributedAtomicCorrection (556.41447s) stopped
T01 >> 1462347776.85767698 Distribute overlap matrix (481.50140s) started
T01 >> 1462347776.85770106 blocked summation (456.48165s) started
T01 << 1462347777.94029999 blocked summation (457.56425s) stopped
T01 >> 1462347777.94172812 Scalapack redistribute (24.38578s) started
T01 << 1462347777.99934196 Scalapack redistribute (24.44339s) stopped
T01 << 1462347777.99941897 Distribute overlap matrix (482.64315s) stopped
T01 >> 1462347778.00000095 Blacs Orbital Layouts (1147.94052s) started
T01 >> 1462347778.00113010 General diagonalize (1125.16375s) started
T01 << 1462347780.70389891 General diagonalize (1127.86652s) stopped
T01 >> 1462347780.70396304 Redistribute coefs (1.22191s) started
T01 << 1462347780.70692110 Redistribute coefs (1.22487s) stopped
T01 >> 1462347780.70699906 Send coefs to domains (20.92401s) started
T01 << 1462347780.75816393 Send coefs to domains (20.97517s) stopped
T01 << 1462347780.75821710 Blacs Orbital Layouts (1150.69873s) stopped
T01 >> 1462347780.75826192 Calculate projections (1054.91776s) started
T01 << 1462347783.28202105 Calculate projections (1057.44152s) stopped
T01 << 1462347783.28210211 LCAO eigensolver (3354.87353s) stopped
T01 >> 1462347783.28274393 Density (819.26316s) started
T01 >> 1462347783.28275609 Pseudo density (677.18570s) started
T01 >> 1462347783.28316092 Calculate density matrix (608.65555s) started
T01 << 1462347784.81090593 Calculate density matrix (610.18330s) stopped
T01 >> 1462347784.81097293 Construct density (67.58354s) started
T01 << 1462347784.98708105 Construct density (67.75965s) stopped
T01 >> 1462347784.98852301 Symmetrize density (0.01707s) started
T01 << 1462347784.98855591 Symmetrize density (0.01710s) stopped
T01 << 1462347784.98903108 Pseudo density (678.89198s) stopped
T01 >> 1462347784.98904991 Atomic density matrices (93.99270s) started
T01 << 1462347785.22970104 Atomic density matrices (94.23335s) stopped
T01 >> 1462347785.22974300 Multipole moments (1.52312s) started
T01 << 1462347785.23361301 Multipole moments (1.52699s) stopped
T01 >> 1462347785.23363590 Normalize (0.41831s) started
T01 << 1462347785.23470998 Normalize (0.41939s) stopped
T01 >> 1462347785.23474598 Mix (46.11743s) started
T01 << 1462347785.33987808 Mix (46.22256s) stopped
T01 << 1462347785.33993196 Density (821.32035s) stopped
T01 >> 1462347785.34001589 Hamiltonian (9319.36748s) started
T01 >> 1462347785.34003592 vbar (5.42877s) started
T01 << 1462347785.35644293 vbar (5.44518s) stopped
T01 >> 1462347785.35654211 XC 3D grid (4048.74242s) started
T01 >> 1462347785.53891301 van der Waals (3907.65108s) started
T01 >> 1462347785.58264899 semilocal (881.89018s) started
T01 << 1462347787.81316090 semilocal (884.12069s) stopped
T01 >> 1462347787.84549093 redistribute (432.74086s) started
T01 << 1462347788.22099495 redistribute (433.11636s) stopped
T01 >> 1462347788.22106194 libvdwxc nonlocal (2563.16972s) started
T01 << 1462347794.92734790 libvdwxc nonlocal (2569.87601s) stopped
T01 >> 1462347794.92743301 redistribute (433.11640s) started
T01 << 1462347795.57087493 redistribute (433.75984s) stopped
T01 << 1462347795.57203293 van der Waals (3917.68420s) stopped
T01 << 1462347795.75166297 XC 3D grid (4059.13754s) stopped
T01 >> 1462347795.75171399 Poisson (837.71050s) started
T01 << 1462347798.13690400 Poisson (840.09569s) stopped
T01 >> 1462347798.13699603 Hartree integrate/restrict (32.02615s) started
T01 << 1462347798.15609789 Hartree integrate/restrict (32.04525s) stopped
T01 >> 1462347798.15614510 Hartree integrate/restrict (32.04529s) started
T01 << 1462347798.21822500 Hartree integrate/restrict (32.10737s) stopped
T01 >> 1462347798.24015403 Atomic (2495.36397s) started
T01 >> 1462347798.25024700 XC Correction (2490.25928s) started
T01 << 1462347804.73235989 XC Correction (2496.74139s) stopped
T01 << 1462347804.73546290 Atomic (2501.85927s) stopped
T01 >> 1462347804.73561001 Communicate (1891.68512s) started
T01 << 1462347810.07516193 Communicate (1897.02468s) stopped
T01 << 1462347810.07519102 Hamiltonian (9344.10265s) stopped
T01 >> 1462347810.07528496 LCAO eigensolver (3354.87355s) started
T01 >> 1462347810.07529902 Potential matrix (107.32345s) started
T01 << 1462347810.33566999 Potential matrix (107.58382s) stopped
T01 >> 1462347810.33574510 DistributedAtomicCorrection (556.41451s) started
T01 << 1462347811.66954708 DistributedAtomicCorrection (557.74831s) stopped
T01 >> 1462347811.66962910 Distribute overlap matrix (482.64316s) started
T01 >> 1462347811.66965199 blocked summation (457.56429s) started
T01 << 1462347812.74056911 blocked summation (458.63521s) stopped
T01 >> 1462347812.74195504 Scalapack redistribute (24.44343s) started
T01 << 1462347812.79964709 Scalapack redistribute (24.50112s) stopped
T01 << 1462347812.79973292 Distribute overlap matrix (483.77326s) stopped
T01 >> 1462347812.80030107 Blacs Orbital Layouts (1150.69874s) started
T01 >> 1462347812.80117702 General diagonalize (1127.86656s) started
T01 << 1462347815.50469089 General diagonalize (1130.57007s) stopped
T01 >> 1462347815.50475502 Redistribute coefs (1.22490s) started
T01 << 1462347815.50747895 Redistribute coefs (1.22763s) stopped
T01 >> 1462347815.50755906 Send coefs to domains (20.97522s) started
T01 << 1462347815.55826402 Send coefs to domains (21.02592s) stopped
T01 << 1462347815.55832005 Blacs Orbital Layouts (1153.45676s) stopped
T01 >> 1462347815.55836606 Calculate projections (1057.44157s) started
T01 << 1462347818.08169699 Calculate projections (1059.96490s) stopped
T01 << 1462347818.08177805 LCAO eigensolver (3362.88004s) stopped
T01 >> 1462347818.08251905 Density (821.32036s) started
T01 >> 1462347818.08253288 Pseudo density (678.89199s) started
T01 >> 1462347818.08294201 Calculate density matrix (610.18334s) started
T01 << 1462347819.61434007 Calculate density matrix (611.71474s) stopped
T01 >> 1462347819.61442709 Construct density (67.75969s) started
T01 << 1462347819.78988504 Construct density (67.93515s) stopped
T01 >> 1462347819.79132509 Symmetrize density (0.01711s) started
T01 << 1462347819.79135609 Symmetrize density (0.01714s) stopped
T01 << 1462347819.79183197 Pseudo density (680.60129s) stopped
T01 >> 1462347819.79185200 Atomic density matrices (94.23338s) started
T01 << 1462347820.03406000 Atomic density matrices (94.47559s) stopped
T01 >> 1462347820.03410006 Multipole moments (1.52701s) started
T01 << 1462347820.03794408 Multipole moments (1.53085s) stopped
T01 >> 1462347820.03796697 Normalize (0.41941s) started
T01 << 1462347820.03902602 Normalize (0.42047s) stopped
T01 >> 1462347820.03906202 Mix (46.22262s) started
T01 << 1462347820.14725399 Mix (46.33081s) stopped
T01 << 1462347820.14729905 Density (823.38514s) stopped
T01 >> 1462347820.14737511 Hamiltonian (9344.10267s) started
T01 >> 1462347820.14739394 vbar (5.44523s) started
T01 << 1462347820.16397095 vbar (5.46181s) stopped
T01 >> 1462347820.16411400 XC 3D grid (4059.13758s) started
T01 >> 1462347820.34738207 van der Waals (3917.68424s) started
T01 >> 1462347820.38943195 semilocal (884.12077s) started
T01 << 1462347822.64738607 semilocal (886.37872s) stopped
T01 >> 1462347822.67821789 redistribute (433.75989s) started
T01 << 1462347823.05164289 redistribute (434.13331s) stopped
T01 >> 1462347823.05171204 libvdwxc nonlocal (2569.87606s) started
T01 << 1462347829.74505401 libvdwxc nonlocal (2576.56941s) stopped
T01 >> 1462347829.74513793 redistribute (434.13336s) started
T01 << 1462347830.39622593 redistribute (434.78444s) stopped
T01 << 1462347830.39742398 van der Waals (3927.73428s) stopped
T01 << 1462347830.57914495 XC 3D grid (4069.55261s) stopped
T01 >> 1462347830.57922792 Poisson (840.09576s) started
T01 << 1462347832.96256208 Poisson (842.47909s) stopped
T01 >> 1462347832.96263409 Hartree integrate/restrict (32.10741s) started
T01 << 1462347832.98171902 Hartree integrate/restrict (32.12649s) stopped
T01 >> 1462347832.98178005 Hartree integrate/restrict (32.12653s) started
T01 << 1462347833.04381394 Hartree integrate/restrict (32.18857s) stopped
T01 >> 1462347833.06732988 Atomic (2501.85929s) started
T01 >> 1462347833.07746196 XC Correction (2496.74142s) started
T01 << 1462347839.41322708 XC Correction (2503.07718s) stopped
T01 << 1462347839.41634011 Atomic (2508.20830s) stopped
T01 >> 1462347839.41649103 Communicate (1897.02470s) started
T01 << 1462347844.30152297 Communicate (1901.90973s) stopped
T01 << 1462347844.30155206 Hamiltonian (9368.25684s) stopped
T01 >> 1462347844.30165005 LCAO eigensolver (3362.88005s) started
T01 >> 1462347844.30166698 Potential matrix (107.58386s) started
T01 << 1462347844.56190705 Potential matrix (107.84410s) stopped
T01 >> 1462347844.56198001 DistributedAtomicCorrection (557.74835s) started
T01 << 1462347845.89255095 DistributedAtomicCorrection (559.07892s) stopped
T01 >> 1462347845.89263391 Distribute overlap matrix (483.77327s) started
T01 >> 1462347845.89265800 blocked summation (458.63525s) started
T01 << 1462347846.96162796 blocked summation (459.70422s) stopped
T01 >> 1462347846.96306205 Scalapack redistribute (24.50116s) started
T01 << 1462347847.02049303 Scalapack redistribute (24.55859s) stopped
T01 << 1462347847.02057195 Distribute overlap matrix (484.90121s) stopped
T01 >> 1462347847.02113795 Blacs Orbital Layouts (1153.45677s) started
T01 >> 1462347847.02220893 General diagonalize (1130.57011s) started
T01 << 1462347849.70689392 General diagonalize (1133.25479s) stopped
T01 >> 1462347849.70695901 Redistribute coefs (1.22766s) started
T01 << 1462347849.70965600 Redistribute coefs (1.23036s) stopped
T01 >> 1462347849.70973897 Send coefs to domains (21.02597s) started
T01 << 1462347849.76079011 Send coefs to domains (21.07702s) stopped
T01 << 1462347849.76084208 Blacs Orbital Layouts (1156.19648s) stopped
T01 >> 1462347849.76089311 Calculate projections (1059.96496s) started
T01 << 1462347852.28465605 Calculate projections (1062.48872s) stopped
T01 << 1462347852.28473711 LCAO eigensolver (3370.86314s) stopped
T01 >> 1462347852.28549099 Density (823.38515s) started
T01 >> 1462347852.28550410 Pseudo density (680.60131s) started
T01 >> 1462347852.28591704 Calculate density matrix (611.71478s) started
T01 << 1462347853.81255889 Calculate density matrix (613.24142s) stopped
T01 >> 1462347853.81264091 Construct density (67.93518s) started
T01 << 1462347853.98878193 Construct density (68.11132s) stopped
T01 >> 1462347853.99021506 Symmetrize density (0.01716s) started
T01 << 1462347853.99024796 Symmetrize density (0.01719s) stopped
T01 << 1462347853.99072695 Pseudo density (682.30653s) stopped
T01 >> 1462347853.99074697 Atomic density matrices (94.47562s) started
T01 << 1462347854.23193908 Atomic density matrices (94.71681s) stopped
T01 >> 1462347854.23198104 Multipole moments (1.53087s) started
T01 << 1462347854.23583794 Multipole moments (1.53472s) stopped
T01 >> 1462347854.23586106 Normalize (0.42050s) started
T01 << 1462347854.23693705 Normalize (0.42157s) stopped
T01 >> 1462347854.23697209 Mix (46.33085s) started
T01 << 1462347854.34938407 Mix (46.44326s) stopped
T01 << 1462347854.34945107 Density (825.44911s) stopped
T01 >> 1462347854.34953594 Hamiltonian (9368.25686s) started
T01 >> 1462347854.34955502 vbar (5.46190s) started
T01 << 1462347854.36584711 vbar (5.47819s) stopped
T01 >> 1462347854.36594510 XC 3D grid (4069.55269s) started
T01 >> 1462347854.54235411 van der Waals (3927.73433s) started
T01 >> 1462347854.58502293 semilocal (886.37881s) started
T01 << 1462347856.81272507 semilocal (888.60651s) stopped
T01 >> 1462347856.84495091 redistribute (434.78449s) started
T01 << 1462347857.22292089 redistribute (435.16246s) stopped
T01 >> 1462347857.22298789 libvdwxc nonlocal (2576.56946s) started
T01 << 1462347863.90850496 libvdwxc nonlocal (2583.25498s) stopped
T01 >> 1462347863.90859008 redistribute (435.16250s) started
T01 << 1462347864.55209398 redistribute (435.80600s) stopped
T01 << 1462347864.55326509 van der Waals (3937.74524s) stopped
T01 << 1462347864.73367095 XC 3D grid (4079.92041s) stopped
T01 >> 1462347864.73372293 Poisson (842.47914s) started
T01 << 1462347867.11284900 Poisson (844.85827s) stopped
T01 >> 1462347867.11292100 Hartree integrate/restrict (32.18860s) started
T01 << 1462347867.13219500 Hartree integrate/restrict (32.20788s) stopped
T01 >> 1462347867.13225889 Hartree integrate/restrict (32.20792s) started
T01 << 1462347867.19403410 Hartree integrate/restrict (32.26970s) stopped
T01 >> 1462347867.21673703 Atomic (2508.20832s) started
T01 >> 1462347867.22685099 XC Correction (2503.07721s) started
T01 << 1462347873.58973789 XC Correction (2509.44009s) stopped
T01 << 1462347873.59286809 Atomic (2514.58445s) stopped
T01 >> 1462347873.59301805 Communicate (1901.90975s) started
T01 << 1462347878.24219894 Communicate (1906.55893s) stopped
T01 << 1462347878.24222803 Hamiltonian (9392.14955s) stopped
T01 >> 1462347878.24232197 LCAO eigensolver (3370.86316s) started
T01 >> 1462347878.24233603 Potential matrix (107.84414s) started
T01 << 1462347878.50426412 Potential matrix (108.10607s) stopped
T01 >> 1462347878.50433707 DistributedAtomicCorrection (559.07896s) started
T01 << 1462347879.83956695 DistributedAtomicCorrection (560.41419s) stopped
T01 >> 1462347879.83964801 Distribute overlap matrix (484.90122s) started
T01 >> 1462347879.83967495 blocked summation (459.70425s) started
T01 << 1462347880.92275095 blocked summation (460.78733s) stopped
T01 >> 1462347880.92418504 Scalapack redistribute (24.55863s) started
T01 << 1462347880.98254395 Scalapack redistribute (24.61699s) stopped
T01 << 1462347880.98262095 Distribute overlap matrix (486.04420s) stopped
T01 >> 1462347880.98318911 Blacs Orbital Layouts (1156.19649s) started
T01 >> 1462347880.98431802 General diagonalize (1133.25483s) started
T01 << 1462347883.65968609 General diagonalize (1135.93020s) stopped
T01 >> 1462347883.65975094 Redistribute coefs (1.23039s) started
T01 << 1462347883.66341209 Redistribute coefs (1.23406s) stopped
T01 >> 1462347883.66346002 Send coefs to domains (21.07706s) started
T01 << 1462347883.71347308 Send coefs to domains (21.12707s) stopped
T01 << 1462347883.71352911 Blacs Orbital Layouts (1158.92683s) stopped
T01 >> 1462347883.71357989 Calculate projections (1062.48878s) started
T01 << 1462347886.23723197 Calculate projections (1065.01243s) stopped
T01 << 1462347886.23731303 LCAO eigensolver (3378.85815s) stopped
T01 >> 1462347886.23804688 Density (825.44913s) started
T01 >> 1462347886.23806000 Pseudo density (682.30655s) started
T01 >> 1462347886.23846006 Calculate density matrix (613.24146s) started
T01 << 1462347887.77554488 Calculate density matrix (614.77855s) stopped
T01 >> 1462347887.77563190 Construct density (68.11136s) started
T01 << 1462347887.95180106 Construct density (68.28753s) stopped
T01 >> 1462347887.95325208 Symmetrize density (0.01720s) started
T01 << 1462347887.95328403 Symmetrize density (0.01723s) stopped
T01 << 1462347887.95375991 Pseudo density (684.02225s) stopped
T01 >> 1462347887.95377994 Atomic density matrices (94.71684s) started
T01 << 1462347888.19462800 Atomic density matrices (94.95768s) stopped
T01 >> 1462347888.19467306 Multipole moments (1.53474s) started
T01 << 1462347888.19853306 Multipole moments (1.53860s) stopped
T01 >> 1462347888.19855595 Normalize (0.42160s) started
T01 << 1462347888.19962001 Normalize (0.42266s) stopped
T01 >> 1462347888.19965601 Mix (46.44333s) started
T01 << 1462347888.31564999 Mix (46.55932s) stopped
T01 << 1462347888.31569910 Density (827.52678s) stopped
T01 >> 1462347888.31577706 Hamiltonian (9392.14956s) started
T01 >> 1462347888.31579494 vbar (5.47824s) started
T01 << 1462347888.33219504 vbar (5.49464s) stopped
T01 >> 1462347888.33232498 XC 3D grid (4079.92045s) started
T01 >> 1462347888.51616597 van der Waals (3937.74528s) started
T01 >> 1462347888.55925608 semilocal (888.60655s) started
T01 << 1462347890.78942704 semilocal (890.83673s) stopped
T01 >> 1462347890.82113504 redistribute (435.80605s) started
T01 << 1462347891.19263911 redistribute (436.17756s) stopped
T01 >> 1462347891.19270897 libvdwxc nonlocal (2583.25503s) started
T01 << 1462347897.86576891 libvdwxc nonlocal (2589.92809s) stopped
T01 >> 1462347897.86584997 redistribute (436.17760s) started
T01 << 1462347898.51201296 redistribute (436.82376s) stopped
T01 << 1462347898.51321912 van der Waals (3947.74234s) stopped
T01 << 1462347898.69380307 XC 3D grid (4090.28193s) stopped
T01 >> 1462347898.69384789 Poisson (844.85832s) started
T01 << 1462347901.08012009 Poisson (847.24459s) stopped
T01 >> 1462347901.08020091 Hartree integrate/restrict (32.26974s) started
T01 << 1462347901.09914207 Hartree integrate/restrict (32.28868s) stopped
T01 >> 1462347901.09920597 Hartree integrate/restrict (32.28873s) started
T01 << 1462347901.16169405 Hartree integrate/restrict (32.35121s) stopped
T01 >> 1462347901.18200302 Atomic (2514.58447s) started
T01 >> 1462347901.19217706 XC Correction (2509.44012s) started
T01 << 1462347907.59400892 XC Correction (2515.84195s) stopped
T01 << 1462347907.59712505 Atomic (2520.99959s) stopped
T01 >> 1462347907.59728098 Communicate (1906.55895s) started
T01 << 1462347912.23811293 Communicate (1911.19978s) stopped
T01 << 1462347912.23814011 Hamiltonian (9416.07192s) stopped
T01 >> 1462347912.23823690 LCAO eigensolver (3378.85816s) started
T01 >> 1462347912.23825002 Potential matrix (108.10611s) started
T01 << 1462347912.49824810 Potential matrix (108.36611s) stopped
T01 >> 1462347912.49832296 DistributedAtomicCorrection (560.41423s) started
T01 << 1462347913.86544895 DistributedAtomicCorrection (561.78135s) stopped
T01 >> 1462347913.86552906 Distribute overlap matrix (486.04421s) started
T01 >> 1462347913.86555195 blocked summation (460.78737s) started
T01 << 1462347914.88843298 blocked summation (461.81025s) stopped
T01 >> 1462347914.88980508 Scalapack redistribute (24.61702s) started
T01 << 1462347914.94888997 Scalapack redistribute (24.67611s) stopped
T01 << 1462347914.94897008 Distribute overlap matrix (487.12765s) stopped
T01 >> 1462347914.94953108 Blacs Orbital Layouts (1158.92684s) started
T01 >> 1462347914.95067191 General diagonalize (1135.93024s) started
T01 << 1462347917.64540005 General diagonalize (1138.62497s) stopped
T01 >> 1462347917.64546394 Redistribute coefs (1.23409s) started
T01 << 1462347917.64918590 Redistribute coefs (1.23782s) stopped
T01 >> 1462347917.64923406 Send coefs to domains (21.12712s) started
T01 << 1462347917.69858289 Send coefs to domains (21.17646s) stopped
T01 << 1462347917.69887304 Blacs Orbital Layouts (1161.67619s) stopped
T01 >> 1462347917.69893408 Calculate projections (1065.01248s) started
T01 << 1462347920.22258091 Calculate projections (1067.53613s) stopped
T01 << 1462347920.22266507 LCAO eigensolver (3386.84259s) stopped
T01 >> 1462347920.22339106 Density (827.52679s) started
T01 >> 1462347920.22340393 Pseudo density (684.02226s) started
T01 >> 1462347920.22381496 Calculate density matrix (614.77859s) started
T01 << 1462347921.76246905 Calculate density matrix (616.31724s) stopped
T01 >> 1462347921.76255989 Construct density (68.28756s) started
T01 << 1462347921.93809700 Construct density (68.46310s) stopped
T01 >> 1462347921.93953991 Symmetrize density (0.01724s) started
T01 << 1462347921.93957210 Symmetrize density (0.01728s) stopped
T01 << 1462347921.94004607 Pseudo density (685.73890s) stopped
T01 >> 1462347921.94006610 Atomic density matrices (94.95771s) started
T01 << 1462347922.18198895 Atomic density matrices (95.19964s) stopped
T01 >> 1462347922.18202901 Multipole moments (1.53861s) started
T01 << 1462347922.18587995 Multipole moments (1.54247s) stopped
T01 >> 1462347922.18590307 Normalize (0.42269s) started
T01 << 1462347922.18696594 Normalize (0.42375s) stopped
T01 >> 1462347922.18700194 Mix (46.55937s) started
T01 << 1462347922.30379105 Mix (46.67616s) stopped
T01 << 1462347922.30388594 Density (829.60729s) stopped
T01 >> 1462347922.30397511 Hamiltonian (9416.07194s) started
T01 >> 1462347922.30399489 vbar (5.49472s) started
T01 << 1462347922.32045889 vbar (5.51118s) stopped
T01 >> 1462347922.32062507 XC 3D grid (4090.28197s) started
T01 >> 1462347922.50304103 van der Waals (3947.74239s) started
T01 >> 1462347922.54616404 semilocal (890.83681s) started
T01 << 1462347924.78874493 semilocal (893.07939s) stopped
T01 >> 1462347924.81952500 redistribute (436.82381s) started
T01 << 1462347925.18643188 redistribute (437.19072s) stopped
T01 >> 1462347925.18649912 libvdwxc nonlocal (2589.92815s) started
T01 << 1462347931.89627194 libvdwxc nonlocal (2596.63792s) stopped
T01 >> 1462347931.89634895 redistribute (437.19076s) started
T01 << 1462347932.54821706 redistribute (437.84262s) stopped
T01 << 1462347932.54968691 van der Waals (3957.78903s) stopped
T01 << 1462347932.72733092 XC 3D grid (4100.68867s) stopped
T01 >> 1462347932.72739100 Poisson (847.24465s) started
T01 << 1462347935.11246610 Poisson (849.62973s) stopped
T01 >> 1462347935.11255193 Hartree integrate/restrict (32.35125s) started
T01 << 1462347935.13197494 Hartree integrate/restrict (32.37067s) stopped
T01 >> 1462347935.13203692 Hartree integrate/restrict (32.37071s) started
T01 << 1462347935.19371200 Hartree integrate/restrict (32.43239s) stopped
T01 >> 1462347935.21562910 Atomic (2520.99961s) started
T01 >> 1462347935.22586012 XC Correction (2515.84197s) started
T01 << 1462347941.66707706 XC Correction (2522.28319s) stopped
T01 << 1462347941.67017889 Atomic (2527.45416s) stopped
T01 >> 1462347941.67033005 Communicate (1911.19980s) started
T01 << 1462347946.24534607 Communicate (1915.77482s) stopped
T01 << 1462347946.24537301 Hamiltonian (9440.01333s) stopped
T01 >> 1462347946.24546790 LCAO eigensolver (3386.84260s) started
T01 >> 1462347946.24548197 Potential matrix (108.36615s) started
T01 << 1462347946.50798392 Potential matrix (108.62865s) stopped
T01 >> 1462347946.50805807 DistributedAtomicCorrection (561.78139s) started
T01 << 1462347947.87444091 DistributedAtomicCorrection (563.14777s) stopped
T01 >> 1462347947.87452197 Distribute overlap matrix (487.12766s) started
T01 >> 1462347947.87454391 blocked summation (461.81029s) started
T01 << 1462347948.92811894 blocked summation (462.86386s) stopped
T01 >> 1462347948.93010402 Scalapack redistribute (24.67614s) started
T01 << 1462347948.98830104 Scalapack redistribute (24.73434s) stopped
T01 << 1462347948.98839092 Distribute overlap matrix (488.24153s) stopped
T01 >> 1462347948.98903894 Blacs Orbital Layouts (1161.67620s) started
T01 >> 1462347948.99051094 General diagonalize (1138.62501s) started
T01 << 1462347951.67784500 General diagonalize (1141.31234s) stopped
T01 >> 1462347951.67790890 Redistribute coefs (1.23785s) started
T01 << 1462347951.68087196 Redistribute coefs (1.24082s) stopped
T01 >> 1462347951.68092108 Send coefs to domains (21.17651s) started
T01 << 1462347951.73083591 Send coefs to domains (21.22642s) stopped
T01 << 1462347951.73116398 Blacs Orbital Layouts (1164.41833s) stopped
T01 >> 1462347951.73122096 Calculate projections (1067.53618s) started
T01 << 1462347954.25484395 Calculate projections (1070.05981s) stopped
T01 << 1462347954.25526810 LCAO eigensolver (3394.85240s) stopped
T01 >> 1462347954.25598788 Density (829.60730s) started
T01 >> 1462347954.25600100 Pseudo density (685.73892s) started
T01 >> 1462347954.25640607 Calculate density matrix (616.31729s) started
T01 << 1462347955.79544902 Calculate density matrix (617.85633s) stopped
T01 >> 1462347955.79553795 Construct density (68.46314s) started
T01 << 1462347955.97172308 Construct density (68.63932s) stopped
T01 >> 1462347955.97315097 Symmetrize density (0.01729s) started
T01 << 1462347955.97318196 Symmetrize density (0.01732s) stopped
T01 << 1462347955.97364807 Pseudo density (687.45656s) stopped
T01 >> 1462347955.97367096 Atomic density matrices (95.19966s) started
T01 << 1462347956.21521592 Atomic density matrices (95.44121s) stopped
T01 >> 1462347956.21525693 Multipole moments (1.54248s) started
T01 << 1462347956.21908808 Multipole moments (1.54631s) stopped
T01 >> 1462347956.21911097 Normalize (0.42377s) started
T01 << 1462347956.22016811 Normalize (0.42483s) stopped
T01 >> 1462347956.22020507 Mix (46.67625s) started
T01 << 1462347956.33667803 Mix (46.79272s) stopped
T01 << 1462347956.33677793 Density (831.68809s) stopped
T01 >> 1462347956.33686996 Hamiltonian (9440.01335s) started
T01 >> 1462347956.33688807 vbar (5.51128s) started
T01 << 1462347956.35345006 vbar (5.52784s) stopped
T01 >> 1462347956.35358405 XC 3D grid (4100.68872s) started
T01 >> 1462347956.53340507 van der Waals (3957.78909s) started
T01 >> 1462347956.57650208 semilocal (893.07947s) started
T01 << 1462347958.79317188 semilocal (895.29614s) stopped
T01 >> 1462347958.82396197 redistribute (437.84271s) started
T01 << 1462347959.19717789 redistribute (438.21593s) stopped
T01 >> 1462347959.19724488 libvdwxc nonlocal (2596.63797s) started
T01 << 1462347965.86796498 libvdwxc nonlocal (2603.30869s) stopped
T01 >> 1462347965.86803889 redistribute (438.21596s) started
T01 << 1462347966.51858711 redistribute (438.86651s) stopped
T01 << 1462347966.51974201 van der Waals (3967.77543s) stopped
T01 << 1462347966.69802999 XC 3D grid (4111.03317s) stopped
T01 >> 1462347966.69807410 Poisson (849.62979s) started
T01 << 1462347969.08058500 Poisson (852.01230s) stopped
T01 >> 1462347969.08065891 Hartree integrate/restrict (32.43242s) started
T01 << 1462347969.09955692 Hartree integrate/restrict (32.45132s) stopped
T01 >> 1462347969.09963489 Hartree integrate/restrict (32.45138s) started
T01 << 1462347969.16239405 Hartree integrate/restrict (32.51413s) stopped
T01 >> 1462347969.18121099 Atomic (2527.45418s) started
T01 >> 1462347969.19145989 XC Correction (2522.28322s) started
T01 << 1462347975.65358210 XC Correction (2528.74534s) stopped
T01 << 1462347975.65671706 Atomic (2533.92968s) stopped
T01 >> 1462347975.65686607 Communicate (1915.77483s) started
T01 << 1462347980.18108201 Communicate (1920.29905s) stopped
T01 << 1462347980.18110895 Hamiltonian (9463.85759s) stopped
T01 >> 1462347980.18120098 LCAO eigensolver (3394.85242s) started
T01 >> 1462347980.18121409 Potential matrix (108.62869s) started
T01 << 1462347980.44228411 Potential matrix (108.88976s) stopped
T01 >> 1462347980.44235897 DistributedAtomicCorrection (563.14781s) started
T01 << 1462347981.80862093 DistributedAtomicCorrection (564.51407s) stopped
T01 >> 1462347981.80870509 Distribute overlap matrix (488.24154s) started
T01 >> 1462347981.80872893 blocked summation (462.86390s) started
T01 << 1462347982.84617090 blocked summation (463.90134s) stopped
T01 >> 1462347982.84771991 Scalapack redistribute (24.73438s) started
T01 << 1462347982.90730906 Scalapack redistribute (24.79397s) stopped
T01 << 1462347982.90738893 Distribute overlap matrix (489.34023s) stopped
T01 >> 1462347982.90800595 Blacs Orbital Layouts (1164.41834s) started
T01 >> 1462347982.90992999 General diagonalize (1141.31238s) started
T01 << 1462347985.59568810 General diagonalize (1143.99814s) stopped
T01 >> 1462347985.59575295 Redistribute coefs (1.24085s) started
T01 << 1462347985.59878707 Redistribute coefs (1.24389s) stopped
T01 >> 1462347985.59883499 Send coefs to domains (21.22646s) started
T01 << 1462347985.64871597 Send coefs to domains (21.27635s) stopped
T01 << 1462347985.64916492 Blacs Orbital Layouts (1167.15950s) stopped
T01 >> 1462347985.64922500 Calculate projections (1070.05986s) started
T01 << 1462347988.17285299 Calculate projections (1072.58349s) stopped
T01 << 1462347988.17312288 LCAO eigensolver (3402.84434s) stopped
T01 >> 1462347988.17382193 Density (831.68811s) started
T01 >> 1462347988.17383599 Pseudo density (687.45658s) started
T01 >> 1462347988.17423606 Calculate density matrix (617.85637s) started
T01 << 1462347989.71102095 Calculate density matrix (619.39316s) stopped
T01 >> 1462347989.71111393 Construct density (68.63936s) started
T01 << 1462347989.88732696 Construct density (68.81557s) stopped
T01 >> 1462347989.88875890 Symmetrize density (0.01733s) started
T01 << 1462347989.88879204 Symmetrize density (0.01736s) stopped
T01 << 1462347989.88925505 Pseudo density (689.17200s) stopped
T01 >> 1462347989.88927507 Atomic density matrices (95.44124s) started
T01 << 1462347990.13260102 Atomic density matrices (95.68456s) stopped
T01 >> 1462347990.13264108 Multipole moments (1.54633s) started
T01 << 1462347990.13648605 Multipole moments (1.55017s) stopped
T01 >> 1462347990.13650799 Normalize (0.42486s) started
T01 << 1462347990.13756800 Normalize (0.42592s) stopped
T01 >> 1462347990.13760495 Mix (46.79282s) started
T01 << 1462347990.25399995 Mix (46.90921s) stopped
T01 << 1462347990.25405788 Density (833.76835s) stopped
T01 >> 1462347990.25413799 Hamiltonian (9463.85760s) started
T01 >> 1462347990.25415707 vbar (5.52792s) started
T01 << 1462347990.27054691 vbar (5.54431s) stopped
T01 >> 1462347990.27065706 XC 3D grid (4111.03320s) started
T01 >> 1462347990.45347095 van der Waals (3967.77547s) started
T01 >> 1462347990.49698400 semilocal (895.29622s) started
T01 << 1462347992.71541500 semilocal (897.51465s) stopped
T01 >> 1462347992.74712801 redistribute (438.86656s) started
T01 << 1462347993.11852908 redistribute (439.23796s) stopped
T01 >> 1462347993.11859608 libvdwxc nonlocal (2603.30874s) started
T01 << 1462347999.81506109 libvdwxc nonlocal (2610.00521s) stopped
T01 >> 1462347999.81512499 redistribute (439.23800s) started
T01 << 1462348000.47155094 redistribute (439.89442s) stopped
T01 << 1462348000.47273397 van der Waals (3977.79474s) stopped
T01 << 1462348000.65337992 XC 3D grid (4121.41592s) stopped
T01 >> 1462348000.65342498 Poisson (852.01236s) started
T01 << 1462348002.45028210 Poisson (853.80921s) stopped
T01 >> 1462348002.45036888 Hartree integrate/restrict (32.51417s) started
T01 << 1462348002.46955490 Hartree integrate/restrict (32.53336s) stopped
T01 >> 1462348002.46963310 Hartree integrate/restrict (32.53341s) started
T01 << 1462348002.53214407 Hartree integrate/restrict (32.59593s) stopped
T01 >> 1462348002.55379796 Atomic (2533.92970s) started
T01 >> 1462348002.56404209 XC Correction (2528.74536s) started
T01 << 1462348009.03282809 XC Correction (2535.21415s) stopped
T01 << 1462348009.03594303 Atomic (2540.41184s) stopped
T01 >> 1462348009.03609490 Communicate (1920.29907s) started
T01 << 1462348013.60684896 Communicate (1924.86982s) stopped
T01 << 1462348013.60687494 Hamiltonian (9487.21034s) stopped
T01 >> 1462348013.60696912 LCAO eigensolver (3402.84436s) started
T01 >> 1462348013.60698199 Potential matrix (108.88980s) started
T01 << 1462348013.86862397 Potential matrix (109.15144s) stopped
T01 >> 1462348013.86870193 DistributedAtomicCorrection (564.51411s) started
T01 << 1462348015.23875093 DistributedAtomicCorrection (565.88416s) stopped
T01 >> 1462348015.23883200 Distribute overlap matrix (489.34024s) started
T01 >> 1462348015.23885393 blocked summation (463.90138s) started
T01 << 1462348016.26036000 blocked summation (464.92289s) stopped
T01 >> 1462348016.26217604 Scalapack redistribute (24.79401s) started
T01 << 1462348016.32228899 Scalapack redistribute (24.85412s) stopped
T01 << 1462348016.32238293 Distribute overlap matrix (490.42379s) stopped
T01 >> 1462348016.32300401 Blacs Orbital Layouts (1167.15952s) started
T01 >> 1462348016.32448006 General diagonalize (1143.99818s) started
T01 << 1462348019.00972891 General diagonalize (1146.68343s) stopped
T01 >> 1462348019.00979304 Redistribute coefs (1.24393s) started
T01 << 1462348019.01336002 Redistribute coefs (1.24749s) stopped
T01 >> 1462348019.01340795 Send coefs to domains (21.27639s) started
T01 << 1462348019.06274796 Send coefs to domains (21.32573s) stopped
T01 << 1462348019.06309009 Blacs Orbital Layouts (1169.89961s) stopped
T01 >> 1462348019.06314611 Calculate projections (1072.58354s) started
T01 << 1462348021.58644199 Calculate projections (1075.10684s) stopped
T01 << 1462348021.58672309 LCAO eigensolver (3410.82412s) stopped
T01 >> 1462348021.58742499 Density (833.76836s) started
T01 >> 1462348021.58743811 Pseudo density (689.17202s) started
T01 >> 1462348021.58785510 Calculate density matrix (619.39321s) started
T01 << 1462348023.12565398 Calculate density matrix (620.93101s) stopped
T01 >> 1462348023.12574697 Construct density (68.81561s) started
T01 << 1462348023.30132699 Construct density (68.99119s) stopped
T01 >> 1462348023.30277705 Symmetrize density (0.01737s) started
T01 << 1462348023.30280900 Symmetrize density (0.01741s) stopped
T01 << 1462348023.30327296 Pseudo density (690.88785s) stopped
T01 >> 1462348023.30329299 Atomic density matrices (95.68459s) started
T01 << 1462348023.54472494 Atomic density matrices (95.92602s) stopped
T01 >> 1462348023.54476690 Multipole moments (1.55019s) started
T01 << 1462348023.54860091 Multipole moments (1.55402s) stopped
T01 >> 1462348023.54862499 Normalize (0.42595s) started
T01 << 1462348023.54966998 Normalize (0.42699s) stopped
T01 >> 1462348023.54970789 Mix (46.90927s) started
T01 << 1462348023.66731000 Mix (47.02687s) stopped
T01 << 1462348023.66735911 Density (835.84830s) stopped
T01 >> 1462348023.66743588 Hamiltonian (9487.21035s) started
T01 >> 1462348023.66745400 vbar (5.54437s) started
T01 << 1462348023.68417597 vbar (5.56110s) stopped
T01 >> 1462348023.68426204 XC 3D grid (4121.41596s) started
T01 >> 1462348023.86379910 van der Waals (3977.79478s) started
T01 >> 1462348023.90671492 semilocal (897.51474s) started
T01 << 1462348026.12801194 semilocal (899.73603s) stopped
T01 >> 1462348026.15998912 redistribute (439.89447s) started
T01 << 1462348026.53909707 redistribute (440.27358s) stopped
T01 >> 1462348026.53916502 libvdwxc nonlocal (2610.00525s) started
T01 << 1462348033.21377611 libvdwxc nonlocal (2616.67986s) stopped
T01 >> 1462348033.21385598 redistribute (440.27361s) started
T01 << 1462348033.85683894 redistribute (440.91660s) stopped
T01 << 1462348033.85803294 van der Waals (3987.78901s) stopped
T01 << 1462348034.03849101 XC 3D grid (4131.77019s) stopped
T01 >> 1462348034.03853703 Poisson (853.80928s) started
T01 << 1462348035.83407903 Poisson (855.60482s) stopped
T01 >> 1462348035.83415008 Hartree integrate/restrict (32.59596s) started
T01 << 1462348035.85320807 Hartree integrate/restrict (32.61502s) stopped
T01 >> 1462348035.85327196 Hartree integrate/restrict (32.61507s) started
T01 << 1462348035.91483808 Hartree integrate/restrict (32.67663s) stopped
T01 >> 1462348035.93546891 Atomic (2540.41186s) started
T01 >> 1462348035.94572902 XC Correction (2535.21417s) started
T01 << 1462348042.37555504 XC Correction (2541.64400s) stopped
T01 << 1462348042.37866998 Atomic (2546.85506s) stopped
T01 >> 1462348042.37881589 Communicate (1924.86984s) started
T01 << 1462348047.00451398 Communicate (1929.49554s) stopped
T01 << 1462348047.00454211 Hamiltonian (9510.54745s) stopped
T01 >> 1462348047.00463700 LCAO eigensolver (3410.82413s) started
T01 >> 1462348047.00465107 Potential matrix (109.15148s) started
T01 << 1462348047.26625991 Potential matrix (109.41309s) stopped
T01 >> 1462348047.26633406 DistributedAtomicCorrection (565.88420s) started
T01 << 1462348048.63003111 DistributedAtomicCorrection (567.24789s) stopped
T01 >> 1462348048.63011098 Distribute overlap matrix (490.42380s) started
T01 >> 1462348048.63013411 blocked summation (464.92293s) started
T01 << 1462348049.70731091 blocked summation (466.00010s) stopped
T01 >> 1462348049.70943499 Scalapack redistribute (24.85417s) started
T01 << 1462348049.76764107 Scalapack redistribute (24.91237s) stopped
T01 << 1462348049.76774001 Distribute overlap matrix (491.56143s) stopped
T01 >> 1462348049.76838303 Blacs Orbital Layouts (1169.89963s) started
T01 >> 1462348049.76987100 General diagonalize (1146.68347s) started
T01 << 1462348052.46023893 General diagonalize (1149.37383s) stopped
T01 >> 1462348052.46030402 Redistribute coefs (1.24753s) started
T01 << 1462348052.46289110 Redistribute coefs (1.25012s) stopped
T01 >> 1462348052.46297503 Send coefs to domains (21.32577s) started
T01 << 1462348052.51301289 Send coefs to domains (21.37581s) stopped
T01 << 1462348052.51333189 Blacs Orbital Layouts (1172.64458s) stopped
T01 >> 1462348052.51338601 Calculate projections (1075.10689s) started
T01 << 1462348055.03688693 Calculate projections (1077.63039s) stopped
T01 << 1462348055.03731894 LCAO eigensolver (3418.85682s) stopped
T01 >> 1462348055.03804708 Density (835.84831s) started
T01 >> 1462348055.03805995 Pseudo density (690.88787s) started
T01 >> 1462348055.03846002 Calculate density matrix (620.93105s) started
T01 << 1462348056.57413697 Calculate density matrix (622.46673s) stopped
T01 >> 1462348056.57422400 Construct density (68.99123s) started
T01 << 1462348056.75028706 Construct density (69.16729s) stopped
T01 >> 1462348056.75172400 Symmetrize density (0.01742s) started
T01 << 1462348056.75175595 Symmetrize density (0.01745s) stopped
T01 << 1462348056.75222707 Pseudo density (692.60203s) stopped
T01 >> 1462348056.75224710 Atomic density matrices (95.92605s) started
T01 << 1462348056.99474502 Atomic density matrices (96.16855s) stopped
T01 >> 1462348056.99478698 Multipole moments (1.55404s) started
T01 << 1462348056.99861097 Multipole moments (1.55786s) stopped
T01 >> 1462348056.99863410 Normalize (0.42702s) started
T01 << 1462348056.99969411 Normalize (0.42808s) stopped
T01 >> 1462348056.99973106 Mix (47.02692s) started
T01 << 1462348057.11702704 Mix (47.14422s) stopped
T01 << 1462348057.11711502 Density (837.92738s) stopped
T01 >> 1462348057.11720204 Hamiltonian (9510.54747s) started
T01 >> 1462348057.11721992 vbar (5.56114s) started
T01 << 1462348057.13376403 vbar (5.57769s) stopped
T01 >> 1462348057.13392210 XC 3D grid (4131.77022s) started
T01 >> 1462348057.31560802 van der Waals (3987.78907s) started
T01 >> 1462348057.35844803 semilocal (899.73612s) started
T01 << 1462348059.59812403 semilocal (901.97580s) stopped
T01 >> 1462348059.62857509 redistribute (440.91665s) started
T01 << 1462348059.99768400 redistribute (441.28576s) stopped
T01 >> 1462348059.99774790 libvdwxc nonlocal (2616.67991s) started
T01 << 1462348066.70730591 libvdwxc nonlocal (2623.38947s) stopped
T01 >> 1462348066.70738101 redistribute (441.28579s) started
T01 << 1462348067.34974194 redistribute (441.92815s) stopped
T01 << 1462348067.35087800 van der Waals (3997.82434s) stopped
T01 << 1462348067.53201699 XC 3D grid (4142.16832s) stopped
T01 >> 1462348067.53208208 Poisson (855.60488s) started
T01 << 1462348069.33269095 Poisson (857.40548s) stopped
T01 >> 1462348069.33278298 Hartree integrate/restrict (32.67668s) started
T01 << 1462348069.35200310 Hartree integrate/restrict (32.69590s) stopped
T01 >> 1462348069.35208797 Hartree integrate/restrict (32.69596s) started
T01 << 1462348069.41382599 Hartree integrate/restrict (32.75770s) stopped
T01 >> 1462348069.43674397 Atomic (2546.85508s) started
T01 >> 1462348069.44697309 XC Correction (2541.64402s) started
T01 << 1462348075.87331295 XC Correction (2548.07036s) stopped
T01 << 1462348075.87644506 Atomic (2553.29478s) stopped
T01 >> 1462348075.87659788 Communicate (1929.49556s) started
T01 << 1462348080.53542495 Communicate (1934.15438s) stopped
T01 << 1462348080.53545499 Hamiltonian (9533.96572s) stopped
T01 >> 1462348080.53555202 LCAO eigensolver (3418.85683s) started
T01 >> 1462348080.53556609 Potential matrix (109.41313s) started
T01 << 1462348080.79763508 Potential matrix (109.67520s) stopped
T01 >> 1462348080.79771304 DistributedAtomicCorrection (567.24793s) started
T01 << 1462348082.16326594 DistributedAtomicCorrection (568.61348s) stopped
T01 >> 1462348082.16334701 Distribute overlap matrix (491.56144s) started
T01 >> 1462348082.16336989 blocked summation (466.00014s) started
T01 << 1462348083.19588900 blocked summation (467.03266s) stopped
T01 >> 1462348083.19765091 Scalapack redistribute (24.91242s) started
T01 << 1462348083.25674701 Scalapack redistribute (24.97152s) stopped
T01 << 1462348083.25682712 Distribute overlap matrix (492.65492s) stopped
T01 >> 1462348083.25739598 Blacs Orbital Layouts (1172.64459s) started
T01 >> 1462348083.25921106 General diagonalize (1149.37387s) started
T01 << 1462348085.94853091 General diagonalize (1152.06319s) stopped
T01 >> 1462348085.94859505 Redistribute coefs (1.25015s) started
T01 << 1462348085.95121193 Redistribute coefs (1.25277s) stopped
T01 >> 1462348085.95129800 Send coefs to domains (21.37585s) started
T01 << 1462348086.00105405 Send coefs to domains (21.42561s) stopped
T01 << 1462348086.00156999 Blacs Orbital Layouts (1175.38877s) stopped
T01 >> 1462348086.00162792 Calculate projections (1077.63045s) started
T01 << 1462348088.52525210 Calculate projections (1080.15407s) stopped
T01 << 1462348088.52553105 LCAO eigensolver (3426.84681s) stopped
T01 >> 1462348088.52625608 Density (837.92740s) started
T01 >> 1462348088.52626896 Pseudo density (692.60205s) started
T01 >> 1462348088.52667093 Calculate density matrix (622.46677s) started
T01 << 1462348090.06118894 Calculate density matrix (624.00129s) stopped
T01 >> 1462348090.06128001 Construct density (69.16733s) started
T01 << 1462348090.23755789 Construct density (69.34361s) stopped
T01 >> 1462348090.23900604 Symmetrize density (0.01746s) started
T01 << 1462348090.23903799 Symmetrize density (0.01749s) stopped
T01 << 1462348090.23950291 Pseudo density (694.31528s) stopped
T01 >> 1462348090.23952293 Atomic density matrices (96.16858s) started
T01 << 1462348090.48117709 Atomic density matrices (96.41023s) stopped
T01 >> 1462348090.48121595 Multipole moments (1.55788s) started
T01 << 1462348090.48506188 Multipole moments (1.56172s) stopped
T01 >> 1462348090.48508501 Normalize (0.42810s) started
T01 << 1462348090.48616099 Normalize (0.42918s) stopped
T01 >> 1462348090.48619699 Mix (47.14430s) started
T01 << 1462348090.60323811 Mix (47.26134s) stopped
T01 << 1462348090.60330796 Density (840.00445s) stopped
T01 >> 1462348090.60338807 Hamiltonian (9533.96573s) started
T01 >> 1462348090.60340500 vbar (5.57778s) started
T01 << 1462348090.61980700 vbar (5.59419s) stopped
T01 >> 1462348090.61994696 XC 3D grid (4142.16837s) started
T01 >> 1462348090.79918194 van der Waals (3997.82438s) started
T01 >> 1462348090.84286404 semilocal (901.97587s) started
T01 << 1462348093.06370807 semilocal (904.19671s) stopped
T01 >> 1462348093.09493494 redistribute (441.92820s) started
T01 << 1462348093.46639895 redistribute (442.29967s) stopped
T01 >> 1462348093.46646595 libvdwxc nonlocal (2623.38952s) started
T01 << 1462348100.16504192 libvdwxc nonlocal (2630.08809s) stopped
T01 >> 1462348100.16511512 redistribute (442.29971s) started
T01 << 1462348100.82290411 redistribute (442.95749s) stopped
T01 << 1462348100.82462597 van der Waals (4007.84982s) stopped
T01 << 1462348100.99650598 XC 3D grid (4152.54493s) stopped
T01 >> 1462348100.99655509 Poisson (857.40555s) started
T01 << 1462348102.79589295 Poisson (859.20489s) stopped
T01 >> 1462348102.79596591 Hartree integrate/restrict (32.75774s) started
T01 << 1462348102.81487393 Hartree integrate/restrict (32.77665s) stopped
T01 >> 1462348102.81493592 Hartree integrate/restrict (32.77669s) started
T01 << 1462348102.87952399 Hartree integrate/restrict (32.84128s) stopped
T01 >> 1462348102.89743996 Atomic (2553.29480s) started
T01 >> 1462348102.90763998 XC Correction (2548.07039s) started
T01 << 1462348109.30530310 XC Correction (2554.46805s) stopped
T01 << 1462348109.30843210 Atomic (2559.70579s) stopped
T01 >> 1462348109.30858111 Communicate (1934.15440s) started
T01 << 1462348114.02688193 Communicate (1938.87270s) stopped
T01 << 1462348114.02691007 Hamiltonian (9557.38925s) stopped
T01 >> 1462348114.02700496 LCAO eigensolver (3426.84683s) started
T01 >> 1462348114.02701902 Potential matrix (109.67524s) started
T01 << 1462348114.28655100 Potential matrix (109.93477s) stopped
T01 >> 1462348114.28662610 DistributedAtomicCorrection (568.61352s) started
T01 << 1462348115.64532208 DistributedAtomicCorrection (569.97222s) stopped
T01 >> 1462348115.64540291 Distribute overlap matrix (492.65494s) started
T01 >> 1462348115.64542603 blocked summation (467.03270s) started
T01 << 1462348116.69767904 blocked summation (468.08495s) stopped
T01 >> 1462348116.69957089 Scalapack redistribute (24.97156s) started
T01 << 1462348116.75994706 Scalapack redistribute (25.03193s) stopped
T01 << 1462348116.76002789 Distribute overlap matrix (493.76956s) stopped
T01 >> 1462348116.76062703 Blacs Orbital Layouts (1175.38878s) started
T01 >> 1462348116.76177812 General diagonalize (1152.06323s) started
T01 << 1462348119.45647407 General diagonalize (1154.75793s) stopped
T01 >> 1462348119.45653701 Redistribute coefs (1.25281s) started
T01 << 1462348119.46032691 Redistribute coefs (1.25660s) stopped
T01 >> 1462348119.46037602 Send coefs to domains (21.42569s) started
T01 << 1462348119.51077104 Send coefs to domains (21.47609s) stopped
T01 << 1462348119.51108193 Blacs Orbital Layouts (1178.13924s) stopped
T01 >> 1462348119.51113701 Calculate projections (1080.15413s) started
T01 << 1462348122.03453207 Calculate projections (1082.67752s) stopped
T01 << 1462348122.03480792 LCAO eigensolver (3434.85463s) stopped
T01 >> 1462348122.03552794 Density (840.00446s) started
T01 >> 1462348122.03554106 Pseudo density (694.31529s) started
T01 >> 1462348122.03594995 Calculate density matrix (624.00133s) started
T01 << 1462348123.58062410 Calculate density matrix (625.54601s) stopped
T01 >> 1462348123.58071089 Construct density (69.34365s) started
T01 << 1462348123.75631309 Construct density (69.51925s) stopped
T01 >> 1462348123.75865507 Symmetrize density (0.01750s) started
T01 << 1462348123.75869107 Symmetrize density (0.01754s) stopped
T01 << 1462348123.75915694 Pseudo density (696.03891s) stopped
T01 >> 1462348123.75917697 Atomic density matrices (96.41026s) started
T01 << 1462348124.00021601 Atomic density matrices (96.65130s) stopped
T01 >> 1462348124.00025606 Multipole moments (1.56174s) started
T01 << 1462348124.00413394 Multipole moments (1.56561s) stopped
T01 >> 1462348124.00415707 Normalize (0.42920s) started
T01 << 1462348124.00521994 Normalize (0.43027s) stopped
T01 >> 1462348124.00525498 Mix (47.26141s) started
T01 << 1462348124.12212491 Mix (47.37828s) stopped
T01 << 1462348124.12219906 Density (842.09114s) stopped
T01 >> 1462348124.12228703 Hamiltonian (9557.38927s) started
T01 >> 1462348124.12230802 vbar (5.59426s) started
T01 << 1462348124.13869190 vbar (5.61065s) stopped
T01 >> 1462348124.13879490 XC 3D grid (4152.54497s) started
T01 >> 1462348124.32011008 van der Waals (4007.84988s) started
T01 >> 1462348124.36317801 semilocal (904.19681s) started
T01 << 1462348126.58991599 semilocal (906.42354s) stopped
T01 >> 1462348126.62245607 redistribute (442.95762s) started
T01 << 1462348126.99362612 redistribute (443.32879s) stopped
T01 >> 1462348126.99369502 libvdwxc nonlocal (2630.08814s) started
T01 << 1462348133.69585299 libvdwxc nonlocal (2636.79030s) stopped
T01 >> 1462348133.69593000 redistribute (443.32883s) started
T01 << 1462348134.33597112 redistribute (443.96887s) stopped
T01 << 1462348134.33716011 van der Waals (4017.86693s) stopped
T01 << 1462348134.51910901 XC 3D grid (4162.92528s) stopped
T01 >> 1462348134.51917005 Poisson (859.20494s) started
T01 << 1462348135.73006892 Poisson (860.41584s) stopped
T01 >> 1462348135.73015904 Hartree integrate/restrict (32.84131s) started
T01 << 1462348135.74944592 Hartree integrate/restrict (32.86060s) stopped
T01 >> 1462348135.74952006 Hartree integrate/restrict (32.86066s) started
T01 << 1462348135.81075191 Hartree integrate/restrict (32.92189s) stopped
T01 >> 1462348135.83369088 Atomic (2559.70581s) started
T01 >> 1462348135.84393406 XC Correction (2554.46807s) started
T01 << 1462348142.25375605 XC Correction (2560.87789s) stopped
T01 << 1462348142.25687099 Atomic (2566.12899s) stopped
T01 >> 1462348142.25703001 Communicate (1938.87272s) started
T01 << 1462348146.96915197 Communicate (1943.58485s) stopped
T01 << 1462348146.96918106 Hamiltonian (9580.23616s) stopped
T01 >> 1462348146.96928000 LCAO eigensolver (3434.85465s) started
T01 >> 1462348146.96929502 Potential matrix (109.93481s) started
T01 << 1462348147.23319411 Potential matrix (110.19871s) stopped
T01 >> 1462348147.23326802 DistributedAtomicCorrection (569.97225s) started
T01 << 1462348148.60061693 DistributedAtomicCorrection (571.33960s) stopped
T01 >> 1462348148.60070205 Distribute overlap matrix (493.76957s) started
T01 >> 1462348148.60072494 blocked summation (468.08499s) started
T01 << 1462348149.63755298 blocked summation (469.12182s) stopped
T01 >> 1462348149.63989902 Scalapack redistribute (25.03197s) started
T01 << 1462348149.70083308 Scalapack redistribute (25.09290s) stopped
T01 << 1462348149.70094705 Distribute overlap matrix (494.86982s) stopped
T01 >> 1462348149.70157695 Blacs Orbital Layouts (1178.13926s) started
T01 >> 1462348149.70300794 General diagonalize (1154.75797s) started
T01 << 1462348152.39069009 General diagonalize (1157.44565s) stopped
T01 >> 1462348152.39075398 Redistribute coefs (1.25664s) started
T01 << 1462348152.39347696 Redistribute coefs (1.25936s) stopped
T01 >> 1462348152.39356399 Send coefs to domains (21.47613s) started
T01 << 1462348152.44412899 Send coefs to domains (21.52669s) stopped
T01 << 1462348152.44444394 Blacs Orbital Layouts (1180.88212s) stopped
T01 >> 1462348152.44450212 Calculate projections (1082.67757s) started
T01 << 1462348154.96803188 Calculate projections (1085.20110s) stopped
T01 << 1462348154.96846199 LCAO eigensolver (3442.85383s) stopped
T01 << 1462348154.96918297 SCF-cycle (13865.53539s) stopped
T01 >> 1462348155.81329799 Force calculation (659.30039s) started
T01 >> 1462348155.81335592 LCAO forces (416.68945s) started
T01 >> 1462348155.81370902 Initial (0.00049s) started
T01 << 1462348155.81371999 Initial (0.00050s) stopped
T01 >> 1462348155.81803489 Get density matrix (80.90919s) started
T01 << 1462348156.41697907 Get density matrix (81.50814s) stopped
T01 >> 1462348156.41704512 Potential (29.84860s) started
T01 << 1462348157.81171703 Potential (31.24327s) stopped
T01 >> 1462348157.81178308 Get density matrix (81.50817s) started
T01 << 1462348160.98919296 Get density matrix (84.68558s) stopped
T01 >> 1462348160.98932409 Prepare TCI loop (41.63772s) started
T01 >> 1462348160.98981309 Get neighbors (37.49439s) started
T01 << 1462348162.79246902 Get neighbors (39.29704s) stopped
T01 >> 1462348162.79269600 broadcast dH (4.12845s) started
T01 << 1462348162.98058200 broadcast dH (4.31634s) stopped
T01 << 1462348162.98062801 Prepare TCI loop (43.62902s) stopped
T01 >> 1462348162.98064590 Not so complicated loop (58.45508s) started
T01 << 1462348165.78256989 Not so complicated loop (61.25700s) stopped
T01 >> 1462348165.90688705 Complicated loop (202.94936s) started
T01 << 1462348175.39269996 Complicated loop (212.43517s) stopped
T01 >> 1462348175.40676308 Wait for sum (0.00121s) started
T01 << 1462348175.40680695 Wait for sum (0.00126s) stopped
T01 << 1462348175.40682006 LCAO forces (436.28292s) stopped
T01 << 1462348187.87805009 Force calculation (691.36515s) stopped
T01 >> 1462348187.89588094 Initialization (1145.34676s) started
T01 << 1462348187.89606595 Initialization (1145.34694s) stopped
T01 >> 1462348187.89629889 Initialization (1145.34696s) started
T01 << 1462348187.89642811 Initialization (1145.34709s) stopped
T01 >> 1462348187.89656091 Initialization (1145.34711s) started
T01 << 1462348187.89669299 Initialization (1145.34724s) stopped
T01 >> 1462348208.21334696 Initialization (1145.34725s) started
T01 >> 1462348208.32793593 Basic WFS set positions (2.20481s) started
T01 >> 1462348208.32796311 Redistribute (0.03815s) started
T01 << 1462348208.32810402 Redistribute (0.03830s) stopped
T01 << 1462348208.42341805 Basic WFS set positions (2.30029s) stopped
T01 >> 1462348208.42344689 Basis functions set positions (9.57141s) started
T01 << 1462348208.82976794 Basis functions set positions (9.97773s) stopped
T01 >> 1462348208.83049607 TCI: Calculate S, T, P (342.68171s) started
T01 << 1462348224.03051496 TCI: Calculate S, T, P (357.88173s) stopped
T01 >> 1462348224.03062391 blocked summation (90.40680s) started
T01 << 1462348227.67758393 blocked summation (94.05376s) stopped
T01 >> 1462348227.67929697 Scalapack redistribute (5.16823s) started
T01 << 1462348227.73894095 Scalapack redistribute (5.22787s) stopped
T01 >> 1462348227.73929191 blocked summation (94.05380s) started
T01 << 1462348227.90804291 blocked summation (94.22256s) stopped
T01 >> 1462348227.90994906 Scalapack redistribute (5.22794s) started
T01 << 1462348228.11041999 Scalapack redistribute (5.42841s) stopped
T01 >> 1462348228.11202693 Redistribute (0.04458s) started
T01 << 1462348228.11302590 Redistribute (0.04558s) stopped
T01 >> 1462348229.01238489 Redistribute (0.04560s) started
T01 << 1462348229.01342607 Redistribute (0.04664s) stopped
T01 >> 1462348229.02282500 LCAO WFS Initialize (670.66714s) started
T01 >> 1462348229.02285504 Density initialize from wavefunctions (26.58312s) started
T01 >> 1462348229.02327895 Calculate density matrix (15.45635s) started
T01 << 1462348229.74339700 Calculate density matrix (16.17647s) stopped
T01 >> 1462348229.74346495 Construct density (3.77275s) started
T01 << 1462348229.91913700 Construct density (3.94842s) stopped
T01 >> 1462348229.92078710 Symmetrize density (0.00093s) started
T01 << 1462348229.92082095 Symmetrize density (0.00097s) stopped
T01 << 1462348230.26244998 Density initialize from wavefunctions (27.82271s) stopped
T01 >> 1462348230.26306605 Hamiltonian (643.87598s) started
T01 >> 1462348230.26310205 vbar (0.32457s) started
T01 << 1462348230.27858090 vbar (0.34005s) stopped
T01 >> 1462348230.27867198 XC 3D grid (235.58638s) started
T01 >> 1462348230.45776606 van der Waals (227.40364s) started
T01 >> 1462348230.49949789 semilocal (51.01019s) started
T01 << 1462348232.73126197 semilocal (53.24195s) stopped
T01 >> 1462348232.76380992 redistribute (24.93971s) started
T01 << 1462348233.14581108 redistribute (25.32171s) stopped
T01 >> 1462348233.14586210 libvdwxc nonlocal (149.71875s) started
T01 << 1462348239.72612691 libvdwxc nonlocal (156.29901s) stopped
T01 >> 1462348239.72617888 redistribute (25.32175s) started
T01 << 1462348240.36211109 redistribute (25.95768s) stopped
T01 << 1462348240.36320400 van der Waals (237.30907s) stopped
T01 << 1462348240.54640698 XC 3D grid (245.85412s) stopped
T01 >> 1462348240.54645801 Poisson (109.59817s) started
T01 << 1462348245.25486398 Poisson (114.30658s) stopped
T01 >> 1462348245.25495791 Hartree integrate/restrict (1.84695s) started
T01 << 1462348245.27205396 Hartree integrate/restrict (1.86404s) stopped
T01 >> 1462348245.27213693 Hartree integrate/restrict (1.86411s) started
T01 << 1462348245.33445597 Hartree integrate/restrict (1.92643s) stopped
T01 >> 1462348245.35511708 Atomic (153.36534s) started
T01 >> 1462348245.36590505 XC Correction (153.06233s) started
T01 << 1462348252.28475595 XC Correction (159.98118s) stopped
T01 << 1462348252.28795695 Atomic (160.29818s) stopped
T01 >> 1462348252.28821898 Communicate (142.64934s) started
T01 << 1462348258.25693488 Communicate (148.61805s) stopped
T01 << 1462348258.25697207 Hamiltonian (671.86989s) stopped
T01 << 1462348258.25703096 LCAO WFS Initialize (699.90134s) stopped
T01 << 1462348258.26959801 Initialization (1195.40351s) stopped
T01 >> 1462348258.29490495 SCF-cycle (13865.53540s) started
T01 >> 1462348258.29494596 LCAO eigensolver (3442.85385s) started
T01 >> 1462348258.29495907 Potential matrix (110.19875s) started
T01 << 1462348258.55493212 Potential matrix (110.45872s) stopped
T01 >> 1462348258.55501008 DistributedAtomicCorrection (571.33964s) started
T01 << 1462348259.90155602 DistributedAtomicCorrection (572.68619s) stopped
T01 >> 1462348259.90164304 Distribute overlap matrix (494.86983s) started
T01 >> 1462348259.90166998 blocked summation (469.12186s) started
T01 << 1462348260.99816608 blocked summation (470.21835s) stopped
T01 >> 1462348260.99968195 Scalapack redistribute (25.09297s) started
T01 << 1462348261.06052899 Scalapack redistribute (25.15382s) stopped
T01 << 1462348261.06061411 Distribute overlap matrix (496.02880s) stopped
T01 >> 1462348261.06119299 Blacs Orbital Layouts (1180.88214s) started
T01 >> 1462348261.06237698 General diagonalize (1157.44569s) started
T01 << 1462348263.78952193 General diagonalize (1160.17283s) stopped
T01 >> 1462348263.78957391 Redistribute coefs (1.25940s) started
T01 << 1462348263.79287004 Redistribute coefs (1.26269s) stopped
T01 >> 1462348263.79291391 Send coefs to domains (21.52674s) started
T01 << 1462348263.84702611 Send coefs to domains (21.58085s) stopped
T01 << 1462348263.84707904 Blacs Orbital Layouts (1183.66803s) stopped
T01 >> 1462348263.84710312 Calculate projections (1085.20116s) started
T01 << 1462348266.37194610 Calculate projections (1087.72600s) stopped
T01 << 1462348266.37201595 LCAO eigensolver (3450.93092s) stopped
T01 >> 1462348266.37284708 Density (842.09115s) started
T01 >> 1462348266.37285995 Pseudo density (696.03893s) started
T01 >> 1462348266.37328100 Calculate density matrix (625.54605s) started
T01 << 1462348267.90848899 Calculate density matrix (627.08126s) stopped
T01 >> 1462348267.90857291 Construct density (69.51929s) started
T01 << 1462348268.08381009 Construct density (69.69452s) stopped
T01 >> 1462348268.08539295 Symmetrize density (0.01755s) started
T01 << 1462348268.08542705 Symmetrize density (0.01758s) stopped
T01 << 1462348268.08588099 Pseudo density (697.75195s) stopped
T01 >> 1462348268.08590102 Atomic density matrices (96.65133s) started
T01 << 1462348268.33847404 Atomic density matrices (96.90390s) stopped
T01 >> 1462348268.33851600 Multipole moments (1.56563s) started
T01 << 1462348268.34241295 Multipole moments (1.56953s) stopped
T01 >> 1462348268.34243608 Normalize (0.43029s) started
T01 << 1462348268.34356403 Normalize (0.43142s) stopped
T01 >> 1462348268.34360003 Mix (47.37835s) started
T01 << 1462348268.44893003 Mix (47.48368s) stopped
T01 << 1462348268.44901109 Density (844.16731s) stopped
T01 >> 1462348268.44909310 Hamiltonian (9580.23617s) started
T01 >> 1462348268.44911003 vbar (5.61071s) started
T01 << 1462348268.46428204 vbar (5.62588s) stopped
T01 >> 1462348268.46438909 XC 3D grid (4162.92533s) started
T01 >> 1462348268.64306593 van der Waals (4017.86698s) started
T01 >> 1462348268.68615794 semilocal (906.42361s) started
T01 << 1462348270.91622996 semilocal (908.65368s) stopped
T01 >> 1462348270.94847703 redistribute (443.96892s) started
T01 << 1462348271.32168889 redistribute (444.34213s) stopped
T01 >> 1462348271.32175708 libvdwxc nonlocal (2636.79035s) started
T01 << 1462348277.90290093 libvdwxc nonlocal (2643.37149s) stopped
T01 >> 1462348277.90297699 redistribute (444.34217s) started
T01 << 1462348278.55080509 redistribute (444.99000s) stopped
T01 << 1462348278.55210495 van der Waals (4027.77602s) stopped
T01 << 1462348278.73701501 XC 3D grid (4173.19796s) stopped
T01 >> 1462348278.73707795 Poisson (860.41591s) started
T01 << 1462348281.09632206 Poisson (862.77516s) stopped
T01 >> 1462348281.09643292 Hartree integrate/restrict (32.92193s) started
T01 << 1462348281.11341095 Hartree integrate/restrict (32.93890s) stopped
T01 >> 1462348281.11352897 Hartree integrate/restrict (32.93899s) started
T01 << 1462348281.17782092 Hartree integrate/restrict (33.00328s) stopped
T01 >> 1462348281.20197010 Atomic (2566.12900s) started
T01 >> 1462348281.21247005 XC Correction (2560.87792s) started
T01 << 1462348288.08988094 XC Correction (2567.75533s) stopped
T01 << 1462348288.09298992 Atomic (2573.02002s) stopped
T01 >> 1462348288.09313989 Communicate (1943.58487s) started
T01 << 1462348293.77670693 Communicate (1949.26843s) stopped
T01 << 1462348293.77674294 Hamiltonian (9605.56382s) stopped
T01 >> 1462348293.77686191 LCAO eigensolver (3450.93097s) started
T01 >> 1462348293.77687597 Potential matrix (110.45877s) started
T01 << 1462348294.03835011 Potential matrix (110.72024s) stopped
T01 >> 1462348294.03842592 DistributedAtomicCorrection (572.68622s) started
T01 << 1462348295.37962890 DistributedAtomicCorrection (574.02743s) stopped
T01 >> 1462348295.37971902 Distribute overlap matrix (496.02881s) started
T01 >> 1462348295.37974191 blocked summation (470.21839s) started
T01 << 1462348296.48353601 blocked summation (471.32219s) stopped
T01 >> 1462348296.48505998 Scalapack redistribute (25.15385s) started
T01 << 1462348296.54395199 Scalapack redistribute (25.21274s) stopped
T01 << 1462348296.54403496 Distribute overlap matrix (497.19313s) stopped
T01 >> 1462348296.54461408 Blacs Orbital Layouts (1183.66804s) started
T01 >> 1462348296.54579997 General diagonalize (1160.17287s) started
T01 << 1462348299.27814293 General diagonalize (1162.90522s) stopped
T01 >> 1462348299.27820706 Redistribute coefs (1.26273s) started
T01 << 1462348299.28139400 Redistribute coefs (1.26591s) stopped
T01 >> 1462348299.28147507 Send coefs to domains (21.58089s) started
T01 << 1462348299.33532906 Send coefs to domains (21.63474s) stopped
T01 << 1462348299.33538508 Blacs Orbital Layouts (1186.45881s) stopped
T01 >> 1462348299.33542800 Calculate projections (1087.72605s) started
T01 << 1462348301.86026812 Calculate projections (1090.25089s) stopped
T01 << 1462348301.86033797 LCAO eigensolver (3459.01444s) stopped
T01 >> 1462348301.86097503 Density (844.16733s) started
T01 >> 1462348301.86098790 Pseudo density (697.75196s) started
T01 >> 1462348301.86141706 Calculate density matrix (627.08131s) started
T01 << 1462348303.40378094 Calculate density matrix (628.62367s) stopped
T01 >> 1462348303.40385509 Construct density (69.69456s) started
T01 << 1462348303.57965708 Construct density (69.87036s) stopped
T01 >> 1462348303.58107901 Symmetrize density (0.01760s) started
T01 << 1462348303.58111191 Symmetrize density (0.01763s) stopped
T01 << 1462348303.58155107 Pseudo density (699.47253s) stopped
T01 >> 1462348303.58157110 Atomic density matrices (96.90393s) started
T01 << 1462348303.83450007 Atomic density matrices (97.15686s) stopped
T01 >> 1462348303.83454108 Multipole moments (1.56954s) started
T01 << 1462348303.83843207 Multipole moments (1.57343s) stopped
T01 >> 1462348303.83845401 Normalize (0.43145s) started
T01 << 1462348303.83958411 Normalize (0.43258s) stopped
T01 >> 1462348303.83961892 Mix (47.48376s) started
T01 << 1462348303.94953895 Mix (47.59368s) stopped
T01 << 1462348303.94961905 Density (846.25597s) stopped
T01 >> 1462348303.94970489 Hamiltonian (9605.56384s) started
T01 >> 1462348303.94972706 vbar (5.62594s) started
T01 << 1462348303.96433711 vbar (5.64055s) stopped
T01 >> 1462348303.96444201 XC 3D grid (4173.19801s) started
T01 >> 1462348304.13619089 van der Waals (4027.77606s) started
T01 >> 1462348304.17924500 semilocal (908.65380s) started
T01 << 1462348306.38972497 semilocal (910.86428s) stopped
T01 >> 1462348306.42181110 redistribute (444.99004s) started
T01 << 1462348306.82298398 redistribute (445.39121s) stopped
T01 >> 1462348306.82305193 libvdwxc nonlocal (2643.37154s) started
T01 << 1462348313.40110493 libvdwxc nonlocal (2649.94959s) stopped
T01 >> 1462348313.40118098 redistribute (445.39125s) started
T01 << 1462348314.04931593 redistribute (446.03939s) stopped
T01 << 1462348314.05038095 van der Waals (4037.69025s) stopped
T01 << 1462348314.23162198 XC 3D grid (4183.46519s) stopped
T01 >> 1462348314.23167396 Poisson (862.77524s) started
T01 << 1462348316.01567197 Poisson (864.55924s) stopped
T01 >> 1462348316.01576996 Hartree integrate/restrict (33.00332s) started
T01 << 1462348316.03281593 Hartree integrate/restrict (33.02037s) stopped
T01 >> 1462348316.03289795 Hartree integrate/restrict (33.02043s) started
T01 << 1462348316.09725499 Hartree integrate/restrict (33.08479s) stopped
T01 >> 1462348316.11705494 Atomic (2573.02004s) started
T01 >> 1462348316.12745810 XC Correction (2567.75536s) started
T01 << 1462348322.62210488 XC Correction (2574.25000s) stopped
T01 << 1462348322.62519693 Atomic (2579.52818s) stopped
T01 >> 1462348322.62534904 Communicate (1949.26846s) started
T01 << 1462348328.03837705 Communicate (1954.68149s) stopped
T01 << 1462348328.03841090 Hamiltonian (9629.65254s) stopped
T01 >> 1462348328.03853011 LCAO eigensolver (3459.01446s) started
T01 >> 1462348328.03854394 Potential matrix (110.72028s) started
T01 << 1462348328.30143404 Potential matrix (110.98317s) stopped
T01 >> 1462348328.30151105 DistributedAtomicCorrection (574.02747s) started
T01 << 1462348329.63843298 DistributedAtomicCorrection (575.36439s) stopped
T01 >> 1462348329.63851905 Distribute overlap matrix (497.19314s) started
T01 >> 1462348329.63854194 blocked summation (471.32223s) started
T01 << 1462348330.74298811 blocked summation (472.42668s) stopped
T01 >> 1462348330.74450302 Scalapack redistribute (25.21278s) started
T01 << 1462348330.80294704 Scalapack redistribute (25.27122s) stopped
T01 << 1462348330.80303097 Distribute overlap matrix (498.35765s) stopped
T01 >> 1462348330.80359793 Blacs Orbital Layouts (1186.45882s) started
T01 >> 1462348330.80478501 General diagonalize (1162.90525s) started
T01 << 1462348333.53696394 General diagonalize (1165.63743s) stopped
T01 >> 1462348333.53702903 Redistribute coefs (1.26595s) started
T01 << 1462348333.54006910 Redistribute coefs (1.26899s) stopped
T01 >> 1462348333.54011703 Send coefs to domains (21.63479s) started
T01 << 1462348333.59491801 Send coefs to domains (21.68959s) stopped
T01 << 1462348333.59497309 Blacs Orbital Layouts (1189.25020s) stopped
T01 >> 1462348333.59501600 Calculate projections (1090.25093s) started
T01 << 1462348336.11972809 Calculate projections (1092.77564s) stopped
T01 << 1462348336.11979890 LCAO eigensolver (3467.09572s) stopped
T01 >> 1462348336.12051010 Density (846.25599s) started
T01 >> 1462348336.12052298 Pseudo density (699.47254s) started
T01 >> 1462348336.12094688 Calculate density matrix (628.62372s) started
T01 << 1462348337.66676998 Calculate density matrix (630.16954s) stopped
T01 >> 1462348337.66686511 Construct density (69.87040s) started
T01 << 1462348337.84215689 Construct density (70.04569s) stopped
T01 >> 1462348337.84357905 Symmetrize density (0.01764s) started
T01 << 1462348337.84361291 Symmetrize density (0.01767s) stopped
T01 << 1462348337.84406304 Pseudo density (701.19608s) stopped
T01 >> 1462348337.84408307 Atomic density matrices (97.15689s) started
T01 << 1462348338.09799409 Atomic density matrices (97.41080s) stopped
T01 >> 1462348338.09803510 Multipole moments (1.57345s) started
T01 << 1462348338.10190296 Multipole moments (1.57732s) stopped
T01 >> 1462348338.10192490 Normalize (0.43260s) started
T01 << 1462348338.10305309 Normalize (0.43373s) stopped
T01 >> 1462348338.10308909 Mix (47.59376s) started
T01 << 1462348338.21701503 Mix (47.70768s) stopped
T01 << 1462348338.21709490 Density (848.35258s) stopped
T01 >> 1462348338.21717811 Hamiltonian (9629.65256s) started
T01 >> 1462348338.21719694 vbar (5.64062s) started
T01 << 1462348338.23189807 vbar (5.65532s) stopped
T01 >> 1462348338.23199391 XC 3D grid (4183.46523s) started
T01 >> 1462348338.40623212 van der Waals (4037.69029s) started
T01 >> 1462348338.44941998 semilocal (910.86439s) started
T01 << 1462348340.67820096 semilocal (913.09317s) stopped
T01 >> 1462348340.71101999 redistribute (446.03943s) started
T01 << 1462348341.10169411 redistribute (446.43010s) stopped
T01 >> 1462348341.10176301 libvdwxc nonlocal (2649.94964s) started
T01 << 1462348347.67200208 libvdwxc nonlocal (2656.51988s) stopped
T01 >> 1462348347.67207694 redistribute (446.43014s) started
T01 << 1462348348.32127309 redistribute (447.07934s) stopped
T01 << 1462348348.32231212 van der Waals (4047.60637s) stopped
T01 << 1462348348.50089598 XC 3D grid (4193.73413s) stopped
T01 >> 1462348348.50094199 Poisson (864.55931s) started
T01 << 1462348350.86681390 Poisson (866.92518s) stopped
T01 >> 1462348350.86689806 Hartree integrate/restrict (33.08483s) started
T01 << 1462348350.88386106 Hartree integrate/restrict (33.10180s) stopped
T01 >> 1462348350.88394809 Hartree integrate/restrict (33.10186s) started
T01 << 1462348350.94773293 Hartree integrate/restrict (33.16564s) stopped
T01 >> 1462348350.96765208 Atomic (2579.52820s) started
T01 >> 1462348350.97804403 XC Correction (2574.25003s) started
T01 << 1462348357.37100005 XC Correction (2580.64298s) stopped
T01 << 1462348357.37410998 Atomic (2585.93466s) stopped
T01 >> 1462348357.37426090 Communicate (1954.68151s) started
T01 << 1462348362.33303189 Communicate (1959.64028s) stopped
T01 << 1462348362.33306599 Hamiltonian (9653.76844s) stopped
T01 >> 1462348362.33318210 LCAO eigensolver (3467.09574s) started
T01 >> 1462348362.33319592 Potential matrix (110.98321s) started
T01 << 1462348362.59516191 Potential matrix (111.24518s) stopped
T01 >> 1462348362.59523797 DistributedAtomicCorrection (575.36443s) started
T01 << 1462348363.96395206 DistributedAtomicCorrection (576.73315s) stopped
T01 >> 1462348363.96403790 Distribute overlap matrix (498.35767s) started
T01 >> 1462348363.96406102 blocked summation (472.42672s) started
T01 << 1462348365.03386211 blocked summation (473.49652s) stopped
T01 >> 1462348365.03539801 Scalapack redistribute (25.27126s) started
T01 << 1462348365.09215093 Scalapack redistribute (25.32801s) stopped
T01 << 1462348365.09223008 Distribute overlap matrix (499.48586s) stopped
T01 >> 1462348365.09279799 Blacs Orbital Layouts (1189.25021s) started
T01 >> 1462348365.09398007 General diagonalize (1165.63747s) started
T01 << 1462348367.80858707 General diagonalize (1168.35208s) stopped
T01 >> 1462348367.80865097 Redistribute coefs (1.26902s) started
T01 << 1462348367.81170297 Redistribute coefs (1.27208s) stopped
T01 >> 1462348367.81175208 Send coefs to domains (21.68963s) started
T01 << 1462348367.86544108 Send coefs to domains (21.74332s) stopped
T01 << 1462348367.86549711 Blacs Orbital Layouts (1192.02291s) stopped
T01 >> 1462348367.86554098 Calculate projections (1092.77569s) started
T01 << 1462348370.39043903 Calculate projections (1095.30058s) stopped
T01 << 1462348370.39051008 LCAO eigensolver (3475.15306s) stopped
T01 >> 1462348370.39141607 Density (848.35259s) started
T01 >> 1462348370.39142895 Pseudo density (701.19609s) started
T01 >> 1462348370.39185691 Calculate density matrix (630.16959s) started
T01 << 1462348371.93460989 Calculate density matrix (631.71234s) stopped
T01 >> 1462348371.93471003 Construct density (70.04572s) started
T01 << 1462348372.10997510 Construct density (70.22099s) stopped
T01 >> 1462348372.11155009 Symmetrize density (0.01769s) started
T01 << 1462348372.11158299 Symmetrize density (0.01772s) stopped
T01 << 1462348372.11203790 Pseudo density (702.91670s) stopped
T01 >> 1462348372.11205697 Atomic density matrices (97.41082s) started
T01 << 1462348372.36549997 Atomic density matrices (97.66427s) stopped
T01 >> 1462348372.36554098 Multipole moments (1.57733s) started
T01 << 1462348372.36942101 Multipole moments (1.58121s) stopped
T01 >> 1462348372.36944509 Normalize (0.43375s) started
T01 << 1462348372.37055898 Normalize (0.43487s) stopped
T01 >> 1462348372.37059593 Mix (47.70776s) started
T01 << 1462348372.48664188 Mix (47.82381s) stopped
T01 << 1462348372.48673511 Density (850.44791s) stopped
T01 >> 1462348372.48682690 Hamiltonian (9653.76846s) started
T01 >> 1462348372.48684692 vbar (5.65537s) started
T01 << 1462348372.50207806 vbar (5.67060s) stopped
T01 >> 1462348372.50217104 XC 3D grid (4193.73416s) started
T01 >> 1462348372.67903090 van der Waals (4047.60643s) started
T01 >> 1462348372.72188902 semilocal (913.09328s) started
T01 << 1462348374.96607089 semilocal (915.33746s) stopped
T01 >> 1462348374.99853492 redistribute (447.07939s) started
T01 << 1462348375.37738490 redistribute (447.45824s) stopped
T01 >> 1462348375.37745309 libvdwxc nonlocal (2656.51993s) started
T01 << 1462348381.98847008 libvdwxc nonlocal (2663.13095s) stopped
T01 >> 1462348381.98854709 redistribute (447.45828s) started
T01 << 1462348382.63967299 redistribute (448.10940s) stopped
T01 << 1462348382.64086604 van der Waals (4057.56827s) stopped
T01 << 1462348382.82014298 XC 3D grid (4204.05214s) stopped
T01 >> 1462348382.82020497 Poisson (866.92525s) started
T01 << 1462348385.18302894 Poisson (869.28807s) stopped
T01 >> 1462348385.18314600 Hartree integrate/restrict (33.16568s) started
T01 << 1462348385.20000505 Hartree integrate/restrict (33.18253s) stopped
T01 >> 1462348385.20011497 Hartree integrate/restrict (33.18261s) started
T01 << 1462348385.26387191 Hartree integrate/restrict (33.24637s) stopped
T01 >> 1462348385.28355002 Atomic (2585.93467s) started
T01 >> 1462348385.29405093 XC Correction (2580.64301s) started
T01 << 1462348391.75029302 XC Correction (2587.09925s) stopped
T01 << 1462348391.75341892 Atomic (2592.40454s) stopped
T01 >> 1462348391.75357103 Communicate (1959.64031s) started
T01 << 1462348396.47288108 Communicate (1964.35962s) stopped
T01 << 1462348396.47291398 Hamiltonian (9677.75454s) stopped
T01 >> 1462348396.47303104 LCAO eigensolver (3475.15308s) started
T01 >> 1462348396.47304511 Potential matrix (111.24522s) started
T01 << 1462348396.73413992 Potential matrix (111.50631s) stopped
T01 >> 1462348396.73421693 DistributedAtomicCorrection (576.73318s) started
T01 << 1462348398.07783890 DistributedAtomicCorrection (578.07681s) stopped
T01 >> 1462348398.07795501 Distribute overlap matrix (499.48587s) started
T01 >> 1462348398.07797909 blocked summation (473.49656s) started
T01 << 1462348399.18511891 blocked summation (474.60370s) stopped
T01 >> 1462348399.18671608 Scalapack redistribute (25.32805s) started
T01 << 1462348399.24844503 Scalapack redistribute (25.38978s) stopped
T01 << 1462348399.24852610 Distribute overlap matrix (500.65644s) stopped
T01 >> 1462348399.24909711 Blacs Orbital Layouts (1192.02292s) started
T01 >> 1462348399.25127006 General diagonalize (1168.35212s) started
T01 << 1462348401.98583603 General diagonalize (1171.08669s) stopped
T01 >> 1462348401.98589897 Redistribute coefs (1.27211s) started
T01 << 1462348401.98910999 Redistribute coefs (1.27533s) stopped
T01 >> 1462348401.98915792 Send coefs to domains (21.74336s) started
T01 << 1462348402.04221606 Send coefs to domains (21.79642s) stopped
T01 << 1462348402.04273891 Blacs Orbital Layouts (1194.81656s) stopped
T01 >> 1462348402.04279399 Calculate projections (1095.30063s) started
T01 << 1462348404.56761289 Calculate projections (1097.82545s) stopped
T01 << 1462348404.56768799 LCAO eigensolver (3483.24774s) stopped
T01 >> 1462348404.56841111 Density (850.44793s) started
T01 >> 1462348404.56842399 Pseudo density (702.91672s) started
T01 >> 1462348404.56885409 Calculate density matrix (631.71239s) started
T01 << 1462348406.11358404 Calculate density matrix (633.25712s) stopped
T01 >> 1462348406.11370301 Construct density (70.22103s) started
T01 << 1462348406.28946304 Construct density (70.39679s) stopped
T01 >> 1462348406.29088092 Symmetrize density (0.01773s) started
T01 << 1462348406.29091406 Symmetrize density (0.01776s) stopped
T01 << 1462348406.29135299 Pseudo density (704.63965s) stopped
T01 >> 1462348406.29137206 Atomic density matrices (97.66429s) started
T01 << 1462348406.54562807 Atomic density matrices (97.91855s) stopped
T01 >> 1462348406.54567289 Multipole moments (1.58123s) started
T01 << 1462348406.54957390 Multipole moments (1.58513s) stopped
T01 >> 1462348406.54959702 Normalize (0.43489s) started
T01 << 1462348406.55071807 Normalize (0.43601s) stopped
T01 >> 1462348406.55075502 Mix (47.82390s) started
T01 << 1462348406.67114806 Mix (47.94429s) stopped
T01 << 1462348406.67125201 Density (852.55077s) stopped
T01 >> 1462348406.67134309 Hamiltonian (9677.75456s) started
T01 >> 1462348406.67136312 vbar (5.67066s) started
T01 << 1462348406.68647695 vbar (5.68577s) stopped
T01 >> 1462348406.68658090 XC 3D grid (4204.05219s) started
T01 >> 1462348406.86370301 van der Waals (4057.56832s) started
T01 >> 1462348406.90717697 semilocal (915.33755s) started
T01 << 1462348409.13811493 semilocal (917.56848s) stopped
T01 >> 1462348409.17110491 redistribute (448.10945s) started
T01 << 1462348409.55109310 redistribute (448.48944s) stopped
T01 >> 1462348409.55116105 libvdwxc nonlocal (2663.13100s) started
T01 << 1462348416.15289307 libvdwxc nonlocal (2669.73273s) stopped
T01 >> 1462348416.15297008 redistribute (448.48948s) started
T01 << 1462348416.80230308 redistribute (449.13881s) stopped
T01 << 1462348416.80328989 van der Waals (4067.50790s) stopped
T01 << 1462348416.98770499 XC 3D grid (4214.35331s) stopped
T01 >> 1462348416.98775291 Poisson (869.28816s) started
T01 << 1462348419.36403298 Poisson (871.66444s) stopped
T01 >> 1462348419.36412501 Hartree integrate/restrict (33.24641s) started
T01 << 1462348419.38095093 Hartree integrate/restrict (33.26323s) stopped
T01 >> 1462348419.38100410 Hartree integrate/restrict (33.26327s) started
T01 << 1462348419.44494009 Hartree integrate/restrict (33.32720s) stopped
T01 >> 1462348419.46491790 Atomic (2592.40456s) started
T01 >> 1462348419.47543907 XC Correction (2587.09928s) started
T01 << 1462348425.94324589 XC Correction (2593.56708s) stopped
T01 << 1462348425.94640708 Atomic (2598.88605s) stopped
T01 >> 1462348425.94655991 Communicate (1964.35964s) started
T01 << 1462348430.67021608 Communicate (1969.08329s) stopped
T01 << 1462348430.67025089 Hamiltonian (9701.75347s) stopped
T01 >> 1462348430.67037010 LCAO eigensolver (3483.24775s) started
T01 >> 1462348430.67038393 Potential matrix (111.50636s) started
T01 << 1462348430.93053293 Potential matrix (111.76651s) stopped
T01 >> 1462348430.93061090 DistributedAtomicCorrection (578.07687s) started
T01 << 1462348432.28441596 DistributedAtomicCorrection (579.43068s) stopped
T01 >> 1462348432.28450298 Distribute overlap matrix (500.65645s) started
T01 >> 1462348432.28452492 blocked summation (474.60374s) started
T01 << 1462348433.36416101 blocked summation (475.68338s) stopped
T01 >> 1462348433.36618996 Scalapack redistribute (25.38981s) started
T01 << 1462348433.42559290 Scalapack redistribute (25.44922s) stopped
T01 << 1462348433.42567992 Distribute overlap matrix (501.79763s) stopped
T01 >> 1462348433.42626595 Blacs Orbital Layouts (1194.81658s) started
T01 >> 1462348433.42741394 General diagonalize (1171.08672s) started
T01 << 1462348436.13348198 General diagonalize (1173.79279s) stopped
T01 >> 1462348436.13354397 Redistribute coefs (1.27536s) started
T01 << 1462348436.13631606 Redistribute coefs (1.27814s) stopped
T01 >> 1462348436.13636303 Send coefs to domains (21.79646s) started
T01 << 1462348436.19029093 Send coefs to domains (21.85039s) stopped
T01 << 1462348436.19056010 Blacs Orbital Layouts (1197.58087s) stopped
T01 >> 1462348436.19061303 Calculate projections (1097.82550s) started
T01 << 1462348438.71522999 Calculate projections (1100.35011s) stopped
T01 << 1462348438.71548891 LCAO eigensolver (3491.29287s) stopped
T01 >> 1462348438.71618009 Density (852.55079s) started
T01 >> 1462348438.71619201 Pseudo density (704.63966s) started
T01 >> 1462348438.71661401 Calculate density matrix (633.25717s) started
T01 << 1462348440.26706791 Calculate density matrix (634.80763s) stopped
T01 >> 1462348440.26716208 Construct density (70.39682s) started
T01 << 1462348440.44243789 Construct density (70.57210s) stopped
T01 >> 1462348440.44386697 Symmetrize density (0.01778s) started
T01 << 1462348440.44389892 Symmetrize density (0.01781s) stopped
T01 << 1462348440.44433498 Pseudo density (706.36780s) stopped
T01 >> 1462348440.44435501 Atomic density matrices (97.91858s) started
T01 << 1462348440.69741392 Atomic density matrices (98.17164s) stopped
T01 >> 1462348440.69745398 Multipole moments (1.58515s) started
T01 << 1462348440.70135999 Multipole moments (1.58905s) stopped
T01 >> 1462348440.70138311 Normalize (0.43604s) started
T01 << 1462348440.70250201 Normalize (0.43716s) stopped
T01 >> 1462348440.70253801 Mix (47.94439s) started
T01 << 1462348440.82380390 Mix (48.06565s) stopped
T01 << 1462348440.82388210 Density (854.65849s) stopped
T01 >> 1462348440.82399607 Hamiltonian (9701.75348s) started
T01 >> 1462348440.82401705 vbar (5.68583s) started
T01 << 1462348440.83903694 vbar (5.70085s) stopped
T01 >> 1462348440.83913803 XC 3D grid (4214.35335s) started
T01 >> 1462348441.01897097 van der Waals (4067.50794s) started
T01 >> 1462348441.06176710 semilocal (917.56857s) started
T01 << 1462348443.30763602 semilocal (919.81444s) stopped
T01 >> 1462348443.34283590 redistribute (449.13886s) started
T01 << 1462348443.73397708 redistribute (449.53000s) stopped
T01 >> 1462348443.73404598 libvdwxc nonlocal (2669.73278s) started
T01 << 1462348450.29678297 libvdwxc nonlocal (2676.29552s) stopped
T01 >> 1462348450.29684401 redistribute (449.53004s) started
T01 << 1462348450.96171188 redistribute (450.19490s) stopped
T01 << 1462348450.96284199 van der Waals (4077.45181s) stopped
T01 << 1462348451.13668799 XC 3D grid (4224.65090s) stopped
T01 >> 1462348451.13673806 Poisson (871.66451s) started
T01 << 1462348453.50568390 Poisson (874.03345s) stopped
T01 >> 1462348453.50575709 Hartree integrate/restrict (33.32724s) started
T01 << 1462348453.52280402 Hartree integrate/restrict (33.34428s) stopped
T01 >> 1462348453.52291608 Hartree integrate/restrict (33.34437s) started
T01 << 1462348453.58695889 Hartree integrate/restrict (33.40841s) stopped
T01 >> 1462348453.60615206 Atomic (2598.88607s) started
T01 >> 1462348453.61683011 XC Correction (2593.56711s) started
T01 << 1462348460.14419794 XC Correction (2600.09448s) stopped
T01 << 1462348460.14739609 Atomic (2605.42731s) stopped
T01 >> 1462348460.14754701 Communicate (1969.08332s) started
T01 << 1462348464.99824190 Communicate (1973.93401s) stopped
T01 << 1462348464.99828100 Hamiltonian (9725.92776s) stopped
T01 >> 1462348464.99841189 LCAO eigensolver (3491.29289s) started
T01 >> 1462348464.99842596 Potential matrix (111.76655s) started
T01 << 1462348465.26160908 Potential matrix (112.02973s) stopped
T01 >> 1462348465.26168990 DistributedAtomicCorrection (579.43072s) started
T01 << 1462348466.60501504 DistributedAtomicCorrection (580.77404s) stopped
T01 >> 1462348466.60509896 Distribute overlap matrix (501.79764s) started
T01 >> 1462348466.60512209 blocked summation (475.68342s) started
T01 << 1462348467.69351411 blocked summation (476.77181s) stopped
T01 >> 1462348467.69533396 Scalapack redistribute (25.44925s) started
T01 << 1462348467.75618792 Scalapack redistribute (25.51011s) stopped
T01 << 1462348467.75628304 Distribute overlap matrix (502.94883s) stopped
T01 >> 1462348467.75688004 Blacs Orbital Layouts (1197.58089s) started
T01 >> 1462348467.75802588 General diagonalize (1173.79283s) started
T01 << 1462348470.48350096 General diagonalize (1176.51830s) stopped
T01 >> 1462348470.48356605 Redistribute coefs (1.27817s) started
T01 << 1462348470.48729706 Redistribute coefs (1.28190s) stopped
T01 >> 1462348470.48734593 Send coefs to domains (21.85044s) started
T01 << 1462348470.54096389 Send coefs to domains (21.90406s) stopped
T01 << 1462348470.54128408 Blacs Orbital Layouts (1200.36530s) stopped
T01 >> 1462348470.54134107 Calculate projections (1100.35016s) started
T01 << 1462348473.06618309 Calculate projections (1102.87500s) stopped
T01 << 1462348473.06643701 LCAO eigensolver (3499.36091s) stopped
T01 >> 1462348473.06731606 Density (854.65851s) started
T01 >> 1462348473.06732893 Pseudo density (706.36782s) started
T01 >> 1462348473.06777096 Calculate density matrix (634.80767s) started
T01 << 1462348474.61547303 Calculate density matrix (636.35537s) stopped
T01 >> 1462348474.61556697 Construct density (70.57213s) started
T01 << 1462348474.79082298 Construct density (70.74739s) stopped
T01 >> 1462348474.79330707 Symmetrize density (0.01782s) started
T01 << 1462348474.79334092 Symmetrize density (0.01785s) stopped
T01 << 1462348474.79378796 Pseudo density (708.09428s) stopped
T01 >> 1462348474.79380798 Atomic density matrices (98.17167s) started
T01 << 1462348475.04613209 Atomic density matrices (98.42399s) stopped
T01 >> 1462348475.04617405 Multipole moments (1.58907s) started
T01 << 1462348475.05007410 Multipole moments (1.59297s) stopped
T01 >> 1462348475.05009699 Normalize (0.43718s) started
T01 << 1462348475.05121708 Normalize (0.43830s) stopped
T01 >> 1462348475.05125403 Mix (48.06573s) started
T01 << 1462348475.17326498 Mix (48.18774s) stopped
T01 << 1462348475.17334795 Density (856.76454s) stopped
T01 >> 1462348475.17344809 Hamiltonian (9725.92778s) started
T01 >> 1462348475.17346811 vbar (5.70091s) started
T01 << 1462348475.18856096 vbar (5.71600s) stopped
T01 >> 1462348475.18865705 XC 3D grid (4224.65093s) started
T01 >> 1462348475.36396909 van der Waals (4077.45187s) started
T01 >> 1462348475.40727711 semilocal (919.81451s) started
T01 << 1462348477.61191297 semilocal (922.01915s) stopped
T01 >> 1462348477.64571810 redistribute (450.19497s) started
T01 << 1462348478.06183100 redistribute (450.61108s) stopped
T01 >> 1462348478.06189895 libvdwxc nonlocal (2676.29555s) started
T01 << 1462348484.66898108 libvdwxc nonlocal (2682.90264s) stopped
T01 >> 1462348484.66904211 redistribute (450.61112s) started
T01 << 1462348485.32625294 redistribute (451.26833s) stopped
T01 << 1462348485.32739711 van der Waals (4087.41530s) stopped
T01 << 1462348485.50719190 XC 3D grid (4234.96947s) stopped
T01 >> 1462348485.50725698 Poisson (874.03351s) started
T01 << 1462348487.88473701 Poisson (876.41099s) stopped
T01 >> 1462348487.88485289 Hartree integrate/restrict (33.40844s) started
T01 << 1462348487.90180707 Hartree integrate/restrict (33.42540s) stopped
T01 >> 1462348487.90191197 Hartree integrate/restrict (33.42547s) started
T01 << 1462348487.96567392 Hartree integrate/restrict (33.48923s) stopped
T01 >> 1462348487.98602295 Atomic (2605.42733s) started
T01 >> 1462348487.99668407 XC Correction (2600.09453s) started
T01 << 1462348494.52991700 XC Correction (2606.62776s) stopped
T01 << 1462348494.53307605 Atomic (2611.97438s) stopped
T01 >> 1462348494.53323293 Communicate (1973.93404s) started
T01 << 1462348499.36208701 Communicate (1978.76289s) stopped
T01 << 1462348499.36212111 Hamiltonian (9750.11645s) stopped
T01 >> 1462348499.36223698 LCAO eigensolver (3499.36093s) started
T01 >> 1462348499.36225104 Potential matrix (112.02977s) started
T01 << 1462348499.62231898 Potential matrix (112.28984s) stopped
T01 >> 1462348499.62239599 DistributedAtomicCorrection (580.77408s) started
T01 << 1462348500.95810795 DistributedAtomicCorrection (582.10979s) stopped
T01 >> 1462348500.95819211 Distribute overlap matrix (502.94884s) started
T01 >> 1462348500.95821500 blocked summation (476.77185s) started
T01 << 1462348502.05893302 blocked summation (477.87257s) stopped
T01 >> 1462348502.06126094 Scalapack redistribute (25.51015s) started
T01 << 1462348502.12143612 Scalapack redistribute (25.57032s) stopped
T01 << 1462348502.12152791 Distribute overlap matrix (504.11218s) stopped
T01 >> 1462348502.12213111 Blacs Orbital Layouts (1200.36531s) started
T01 >> 1462348502.12338710 General diagonalize (1176.51834s) started
T01 << 1462348504.85194612 General diagonalize (1179.24690s) stopped
T01 >> 1462348504.85200906 Redistribute coefs (1.28194s) started
T01 << 1462348504.85497093 Redistribute coefs (1.28490s) stopped
T01 >> 1462348504.85502005 Send coefs to domains (21.90410s) started
T01 << 1462348504.90918994 Send coefs to domains (21.95827s) stopped
T01 << 1462348504.90952706 Blacs Orbital Layouts (1203.15271s) stopped
T01 >> 1462348504.90957904 Calculate projections (1102.87505s) started
T01 << 1462348507.43421888 Calculate projections (1105.39969s) stopped
T01 << 1462348507.43463612 LCAO eigensolver (3507.43333s) stopped
T01 >> 1462348507.43533993 Density (856.76455s) started
T01 >> 1462348507.43535209 Pseudo density (708.09429s) started
T01 >> 1462348507.43577790 Calculate density matrix (636.35542s) started
T01 << 1462348508.98698592 Calculate density matrix (637.90662s) stopped
T01 >> 1462348508.98708010 Construct density (70.74743s) started
T01 << 1462348509.16280198 Construct density (70.92315s) stopped
T01 >> 1462348509.16421795 Symmetrize density (0.01786s) started
T01 << 1462348509.16425109 Symmetrize density (0.01790s) stopped
T01 << 1462348509.16470098 Pseudo density (709.82364s) stopped
T01 >> 1462348509.16472101 Atomic density matrices (98.42402s) started
T01 << 1462348509.41790891 Atomic density matrices (98.67721s) stopped
T01 >> 1462348509.41794896 Multipole moments (1.59298s) started
T01 << 1462348509.42187190 Multipole moments (1.59691s) stopped
T01 >> 1462348509.42189503 Normalize (0.43833s) started
T01 << 1462348509.42302489 Normalize (0.43946s) stopped
T01 >> 1462348509.42305994 Mix (48.18782s) started
T01 << 1462348509.54392791 Mix (48.30869s) stopped
T01 << 1462348509.54402590 Density (858.87324s) stopped
T01 >> 1462348509.54412007 Hamiltonian (9750.11646s) started
T01 >> 1462348509.54414010 vbar (5.71606s) started
T01 << 1462348509.55913591 vbar (5.73105s) stopped
T01 >> 1462348509.55925107 XC 3D grid (4234.96952s) started
T01 >> 1462348509.73714209 van der Waals (4087.41535s) started
T01 >> 1462348509.78077507 semilocal (922.01930s) started
T01 << 1462348512.02632999 semilocal (924.26485s) stopped
T01 >> 1462348512.05797791 redistribute (451.26837s) started
T01 << 1462348512.43325400 redistribute (451.64365s) stopped
T01 >> 1462348512.43332291 libvdwxc nonlocal (2682.90267s) started
T01 << 1462348519.03452301 libvdwxc nonlocal (2689.50387s) stopped
T01 >> 1462348519.03459907 redistribute (451.64369s) started
T01 << 1462348519.68520808 redistribute (452.29430s) stopped
T01 << 1462348519.68628907 van der Waals (4097.36450s) stopped
T01 << 1462348519.86705995 XC 3D grid (4245.27733s) stopped
T01 >> 1462348519.86714411 Poisson (876.41107s) started
T01 << 1462348522.24217296 Poisson (878.78610s) stopped
T01 >> 1462348522.24230194 Hartree integrate/restrict (33.48928s) started
T01 << 1462348522.25955391 Hartree integrate/restrict (33.50654s) stopped
T01 >> 1462348522.25963998 Hartree integrate/restrict (33.50660s) started
T01 << 1462348522.32323289 Hartree integrate/restrict (33.57019s) stopped
T01 >> 1462348522.34289193 Atomic (2611.97440s) started
T01 >> 1462348522.35346699 XC Correction (2606.62779s) started
T01 << 1462348528.96833110 XC Correction (2613.24266s) stopped
T01 << 1462348528.97146010 Atomic (2618.60297s) stopped
T01 >> 1462348528.97161603 Communicate (1978.76291s) started
T01 << 1462348533.69955802 Communicate (1983.49086s) stopped
T01 << 1462348533.69959211 Hamiltonian (9774.27193s) stopped
T01 >> 1462348533.69971490 LCAO eigensolver (3507.43335s) started
T01 >> 1462348533.69972992 Potential matrix (112.28988s) started
T01 << 1462348533.96337795 Potential matrix (112.55353s) stopped
T01 >> 1462348533.96345305 DistributedAtomicCorrection (582.10983s) started
T01 << 1462348535.29642701 DistributedAtomicCorrection (583.44280s) stopped
T01 >> 1462348535.29651093 Distribute overlap matrix (504.11219s) started
T01 >> 1462348535.29653406 blocked summation (477.87261s) started
T01 << 1462348536.41581392 blocked summation (478.99189s) stopped
T01 >> 1462348536.41771793 Scalapack redistribute (25.57036s) started
T01 << 1462348536.47823596 Scalapack redistribute (25.63087s) stopped
T01 << 1462348536.47832799 Distribute overlap matrix (505.29400s) stopped
T01 >> 1462348536.47893190 Blacs Orbital Layouts (1203.15273s) started
T01 >> 1462348536.48010302 General diagonalize (1179.24694s) started
T01 << 1462348539.19405699 General diagonalize (1181.96090s) stopped
T01 >> 1462348539.19412088 Redistribute coefs (1.28494s) started
T01 << 1462348539.19695210 Redistribute coefs (1.28777s) stopped
T01 >> 1462348539.19701004 Send coefs to domains (21.95831s) started
T01 << 1462348539.25158811 Send coefs to domains (22.01289s) stopped
T01 << 1462348539.25191092 Blacs Orbital Layouts (1205.92571s) stopped
T01 >> 1462348539.25196195 Calculate projections (1105.39973s) started
T01 << 1462348541.77664399 Calculate projections (1107.92441s) stopped
T01 << 1462348541.77690411 LCAO eigensolver (3515.51054s) stopped
T01 >> 1462348541.77758098 Density (858.87326s) started
T01 >> 1462348541.77759409 Pseudo density (709.82366s) started
T01 >> 1462348541.77803302 Calculate density matrix (637.90667s) started
T01 << 1462348543.32721901 Calculate density matrix (639.45585s) stopped
T01 >> 1462348543.32732105 Construct density (70.92319s) started
T01 << 1462348543.50262809 Construct density (71.09849s) stopped
T01 >> 1462348543.50404096 Symmetrize density (0.01791s) started
T01 << 1462348543.50407290 Symmetrize density (0.01794s) stopped
T01 << 1462348543.50451112 Pseudo density (711.55057s) stopped
T01 >> 1462348543.50452995 Atomic density matrices (98.67723s) started
T01 << 1462348543.75823498 Atomic density matrices (98.93094s) stopped
T01 >> 1462348543.75827694 Multipole moments (1.59692s) started
T01 << 1462348543.76222992 Multipole moments (1.60087s) stopped
T01 >> 1462348543.76225305 Normalize (0.43948s) started
T01 << 1462348543.76337099 Normalize (0.44060s) stopped
T01 >> 1462348543.76340604 Mix (48.30878s) started
T01 << 1462348543.88437295 Mix (48.42975s) stopped
T01 << 1462348543.88445711 Density (860.98013s) stopped
T01 >> 1462348543.88456011 Hamiltonian (9774.27195s) started
T01 >> 1462348543.88458109 vbar (5.73112s) started
T01 << 1462348543.89972591 vbar (5.74627s) stopped
T01 >> 1462348543.89982510 XC 3D grid (4245.27740s) started
T01 >> 1462348544.08638000 van der Waals (4097.36454s) started
T01 >> 1462348544.12668991 semilocal (924.26493s) started
T01 << 1462348546.35661006 semilocal (926.49485s) stopped
T01 >> 1462348546.38808393 redistribute (452.29434s) started
T01 << 1462348546.76712799 redistribute (452.67338s) stopped
T01 >> 1462348546.76719689 libvdwxc nonlocal (2689.50392s) started
T01 << 1462348553.33576012 libvdwxc nonlocal (2696.07249s) stopped
T01 >> 1462348553.33581901 redistribute (452.67342s) started
T01 << 1462348553.99145103 redistribute (453.32905s) stopped
T01 << 1462348553.99242306 van der Waals (4107.27058s) stopped
T01 << 1462348554.17351794 XC 3D grid (4255.55109s) stopped
T01 >> 1462348554.17356896 Poisson (878.78620s) started
T01 << 1462348555.96056294 Poisson (880.57320s) stopped
T01 >> 1462348555.96063900 Hartree integrate/restrict (33.57024s) started
T01 << 1462348555.97745609 Hartree integrate/restrict (33.58706s) stopped
T01 >> 1462348555.97751498 Hartree integrate/restrict (33.58710s) started
T01 << 1462348556.04088712 Hartree integrate/restrict (33.65047s) stopped
T01 >> 1462348556.06431103 Atomic (2618.60298s) started
T01 >> 1462348556.07500696 XC Correction (2613.24268s) started
T01 << 1462348562.59738994 XC Correction (2619.76506s) stopped
T01 << 1462348562.60054994 Atomic (2625.13922s) stopped
T01 >> 1462348562.60070610 Communicate (1983.49088s) started
T01 << 1462348567.37289906 Communicate (1988.26307s) stopped
T01 << 1462348567.37293506 Hamiltonian (9797.76032s) stopped
T01 >> 1462348567.37305403 LCAO eigensolver (3515.51056s) started
T01 >> 1462348567.37306809 Potential matrix (112.55357s) started
T01 << 1462348567.63369894 Potential matrix (112.81420s) stopped
T01 >> 1462348567.63377500 DistributedAtomicCorrection (583.44284s) started
T01 << 1462348568.96869493 DistributedAtomicCorrection (584.77776s) stopped
T01 >> 1462348568.96878004 Distribute overlap matrix (505.29402s) started
T01 >> 1462348568.96880293 blocked summation (478.99193s) started
T01 << 1462348570.09710097 blocked summation (480.12023s) stopped
T01 >> 1462348570.09906101 Scalapack redistribute (25.63091s) started
T01 << 1462348570.15865111 Scalapack redistribute (25.69050s) stopped
T01 << 1462348570.15874505 Distribute overlap matrix (506.48398s) stopped
T01 >> 1462348570.15933394 Blacs Orbital Layouts (1205.92573s) started
T01 >> 1462348570.16048098 General diagonalize (1181.96094s) started
T01 << 1462348572.88915491 General diagonalize (1184.68961s) stopped
T01 >> 1462348572.88921905 Redistribute coefs (1.28781s) started
T01 << 1462348572.89286995 Redistribute coefs (1.29146s) stopped
T01 >> 1462348572.89292097 Send coefs to domains (22.01293s) started
T01 << 1462348572.94559789 Send coefs to domains (22.06561s) stopped
T01 << 1462348572.94590402 Blacs Orbital Layouts (1208.71230s) stopped
T01 >> 1462348572.94595504 Calculate projections (1107.92446s) started
T01 << 1462348575.47062397 Calculate projections (1110.44913s) stopped
T01 << 1462348575.47088408 LCAO eigensolver (3523.60839s) stopped
T01 >> 1462348575.47176909 Density (860.98015s) started
T01 >> 1462348575.47178197 Pseudo density (711.55059s) started
T01 >> 1462348575.47221804 Calculate density matrix (639.45590s) started
T01 << 1462348577.02189708 Calculate density matrix (641.00557s) stopped
T01 >> 1462348577.02198601 Construct density (71.09853s) started
T01 << 1462348577.19719601 Construct density (71.27374s) stopped
T01 >> 1462348577.19877601 Symmetrize density (0.01795s) started
T01 << 1462348577.19880795 Symmetrize density (0.01799s) stopped
T01 << 1462348577.19924808 Pseudo density (713.27805s) stopped
T01 >> 1462348577.19926810 Atomic density matrices (98.93097s) started
T01 << 1462348577.45273209 Atomic density matrices (99.18443s) stopped
T01 >> 1462348577.45277190 Multipole moments (1.60089s) started
T01 << 1462348577.45671892 Multipole moments (1.60484s) stopped
T01 >> 1462348577.45674109 Normalize (0.44063s) started
T01 << 1462348577.45786405 Normalize (0.44175s) stopped
T01 >> 1462348577.45789909 Mix (48.42983s) started
T01 << 1462348577.57874799 Mix (48.55068s) stopped
T01 << 1462348577.57883096 Density (863.08721s) stopped
T01 >> 1462348577.57892990 Hamiltonian (9797.76034s) started
T01 >> 1462348577.57894802 vbar (5.74632s) started
T01 << 1462348577.59392905 vbar (5.76130s) stopped
T01 >> 1462348577.59403801 XC 3D grid (4255.55113s) started
T01 >> 1462348577.77003407 van der Waals (4107.27062s) started
T01 >> 1462348577.81321406 semilocal (926.49498s) started
T01 << 1462348580.04518104 semilocal (928.72695s) stopped
T01 >> 1462348580.07754993 redistribute (453.32910s) started
T01 << 1462348580.45696998 redistribute (453.70852s) stopped
T01 >> 1462348580.45703912 libvdwxc nonlocal (2696.07252s) started
T01 << 1462348587.02417111 libvdwxc nonlocal (2702.63965s) stopped
T01 >> 1462348587.02423191 redistribute (453.70855s) started
T01 << 1462348587.69027305 redistribute (454.37459s) stopped
T01 << 1462348587.69149208 van der Waals (4117.19208s) stopped
T01 << 1462348587.86750102 XC 3D grid (4265.82460s) stopped
T01 >> 1462348587.86756706 Poisson (880.57325s) started
T01 << 1462348589.64775395 Poisson (882.35344s) stopped
T01 >> 1462348589.64787793 Hartree integrate/restrict (33.65051s) started
T01 << 1462348589.66495109 Hartree integrate/restrict (33.66758s) stopped
T01 >> 1462348589.66504788 Hartree integrate/restrict (33.66765s) started
T01 << 1462348589.72898293 Hartree integrate/restrict (33.73158s) stopped
T01 >> 1462348589.74783492 Atomic (2625.13924s) started
T01 >> 1462348589.75866199 XC Correction (2619.76509s) started
T01 << 1462348596.30778909 XC Correction (2626.31422s) stopped
T01 << 1462348596.31097102 Atomic (2631.70238s) stopped
T01 >> 1462348596.31112409 Communicate (1988.26310s) started
T01 << 1462348601.09361601 Communicate (1993.04559s) stopped
T01 << 1462348601.09365106 Hamiltonian (9821.27506s) stopped
T01 >> 1462348601.09377694 LCAO eigensolver (3523.60841s) started
T01 >> 1462348601.09379101 Potential matrix (112.81424s) started
T01 << 1462348601.35670209 Potential matrix (113.07715s) stopped
T01 >> 1462348601.35678005 DistributedAtomicCorrection (584.77780s) started
T01 << 1462348602.70717812 DistributedAtomicCorrection (586.12820s) stopped
T01 >> 1462348602.70726299 Distribute overlap matrix (506.48399s) started
T01 >> 1462348602.70728588 blocked summation (480.12027s) started
T01 << 1462348603.79170203 blocked summation (481.20468s) stopped
T01 >> 1462348603.79400110 Scalapack redistribute (25.69054s) started
T01 << 1462348603.85326910 Scalapack redistribute (25.74981s) stopped
T01 << 1462348603.85336590 Distribute overlap matrix (507.63010s) stopped
T01 >> 1462348603.85396791 Blacs Orbital Layouts (1208.71231s) started
T01 >> 1462348603.85540795 General diagonalize (1184.68965s) started
T01 << 1462348606.56573200 General diagonalize (1187.39997s) stopped
T01 >> 1462348606.56579494 Redistribute coefs (1.29150s) started
T01 << 1462348606.56890011 Redistribute coefs (1.29461s) stopped
T01 >> 1462348606.56894898 Send coefs to domains (22.06565s) started
T01 << 1462348606.62254095 Send coefs to domains (22.11924s) stopped
T01 << 1462348606.62285900 Blacs Orbital Layouts (1211.48120s) stopped
T01 >> 1462348606.62291193 Calculate projections (1110.44918s) started
T01 << 1462348609.14757800 Calculate projections (1112.97385s) stopped
T01 << 1462348609.14800501 LCAO eigensolver (3531.66263s) stopped
T01 >> 1462348609.14871693 Density (863.08723s) started
T01 >> 1462348609.14873004 Pseudo density (713.27807s) started
T01 >> 1462348609.14914989 Calculate density matrix (641.00561s) started
T01 << 1462348610.69702005 Calculate density matrix (642.55349s) stopped
T01 >> 1462348610.69711590 Construct density (71.27378s) started
T01 << 1462348610.87291098 Construct density (71.44957s) stopped
T01 >> 1462348610.87523389 Symmetrize density (0.01800s) started
T01 << 1462348610.87526894 Symmetrize density (0.01803s) stopped
T01 << 1462348610.87572289 Pseudo density (715.00506s) stopped
T01 >> 1462348610.87574196 Atomic density matrices (99.18446s) started
T01 << 1462348611.12774301 Atomic density matrices (99.43646s) stopped
T01 >> 1462348611.12778306 Multipole moments (1.60485s) started
T01 << 1462348611.13174295 Multipole moments (1.60881s) stopped
T01 >> 1462348611.13176608 Normalize (0.44178s) started
T01 << 1462348611.13291693 Normalize (0.44293s) stopped
T01 >> 1462348611.13295388 Mix (48.55076s) started
T01 << 1462348611.25478506 Mix (48.67259s) stopped
T01 << 1462348611.25488591 Density (865.19340s) stopped
T01 >> 1462348611.25499701 Hamiltonian (9821.27507s) started
T01 >> 1462348611.25501490 vbar (5.76137s) started
T01 << 1462348611.27003789 vbar (5.77639s) stopped
T01 >> 1462348611.27013993 XC 3D grid (4265.82465s) started
T01 >> 1462348611.44841695 van der Waals (4117.19211s) started
T01 >> 1462348611.49164295 semilocal (928.72701s) started
T01 << 1462348613.72675610 semilocal (930.96212s) stopped
T01 >> 1462348613.75889802 redistribute (454.37465s) started
T01 << 1462348614.13432097 redistribute (454.75008s) stopped
T01 >> 1462348614.13438892 libvdwxc nonlocal (2702.63969s) started
T01 << 1462348620.68423700 libvdwxc nonlocal (2709.18954s) stopped
T01 >> 1462348620.68429995 redistribute (454.75011s) started
T01 << 1462348621.34968710 redistribute (455.41550s) stopped
T01 << 1462348621.35075593 van der Waals (4127.09445s) stopped
T01 << 1462348621.52560091 XC 3D grid (4276.08011s) stopped
T01 >> 1462348621.52565002 Poisson (882.35353s) started
T01 << 1462348623.32111907 Poisson (884.14900s) stopped
T01 >> 1462348623.32119799 Hartree integrate/restrict (33.73162s) started
T01 << 1462348623.33812189 Hartree integrate/restrict (33.74855s) stopped
T01 >> 1462348623.33817601 Hartree integrate/restrict (33.74858s) started
T01 << 1462348623.40270901 Hartree integrate/restrict (33.81312s) stopped
T01 >> 1462348623.42574096 Atomic (2631.70239s) started
T01 >> 1462348623.43651390 XC Correction (2626.31425s) started
T01 << 1462348629.96807790 XC Correction (2632.84581s) stopped
T01 << 1462348629.97126889 Atomic (2638.24792s) stopped
T01 >> 1462348629.97142005 Communicate (1993.04561s) started
T01 << 1462348634.85781693 Communicate (1997.93201s) stopped
T01 << 1462348634.85785699 Hamiltonian (9844.87793s) stopped
T01 >> 1462348634.85798812 LCAO eigensolver (3531.66265s) started
T01 >> 1462348634.85800290 Potential matrix (113.07720s) started
T01 << 1462348635.11877990 Potential matrix (113.33797s) stopped
T01 >> 1462348635.11885810 DistributedAtomicCorrection (586.12824s) started
T01 << 1462348636.46813512 DistributedAtomicCorrection (587.47751s) stopped
T01 >> 1462348636.46822000 Distribute overlap matrix (507.63011s) started
T01 >> 1462348636.46824193 blocked summation (481.20472s) started
T01 << 1462348637.57451010 blocked summation (482.31099s) stopped
T01 >> 1462348637.57625294 Scalapack redistribute (25.74985s) started
T01 << 1462348637.63762808 Scalapack redistribute (25.81122s) stopped
T01 << 1462348637.63772106 Distribute overlap matrix (508.79961s) stopped
T01 >> 1462348637.63831496 Blacs Orbital Layouts (1211.48122s) started
T01 >> 1462348637.63946509 General diagonalize (1187.40001s) started
T01 << 1462348640.35819292 General diagonalize (1190.11874s) stopped
T01 >> 1462348640.35825801 Redistribute coefs (1.29465s) started
T01 << 1462348640.36207199 Redistribute coefs (1.29846s) stopped
T01 >> 1462348640.36211896 Send coefs to domains (22.11929s) started
T01 << 1462348640.41525507 Send coefs to domains (22.17242s) stopped
T01 << 1462348640.41554904 Blacs Orbital Layouts (1214.25846s) stopped
T01 >> 1462348640.41560507 Calculate projections (1112.97389s) started
T01 << 1462348642.94025302 Calculate projections (1115.49854s) stopped
T01 << 1462348642.94051695 LCAO eigensolver (3539.74518s) stopped
T01 >> 1462348642.94122696 Density (865.19341s) started
T01 >> 1462348642.94124007 Pseudo density (715.00507s) started
T01 >> 1462348642.94165897 Calculate density matrix (642.55353s) started
T01 << 1462348644.48722196 Calculate density matrix (644.09909s) stopped
T01 >> 1462348644.48731589 Construct density (71.44961s) started
T01 << 1462348644.66264105 Construct density (71.62493s) stopped
T01 >> 1462348644.66498590 Symmetrize density (0.01804s) started
T01 << 1462348644.66501904 Symmetrize density (0.01808s) stopped
T01 << 1462348644.66545200 Pseudo density (716.72929s) stopped
T01 >> 1462348644.66547203 Atomic density matrices (99.43649s) started
T01 << 1462348644.91763496 Atomic density matrices (99.68865s) stopped
T01 >> 1462348644.91767907 Multipole moments (1.60882s) started
T01 << 1462348644.92165303 Multipole moments (1.61280s) stopped
T01 >> 1462348644.92167711 Normalize (0.44295s) started
T01 << 1462348644.92281508 Normalize (0.44409s) stopped
T01 >> 1462348644.92285299 Mix (48.67268s) started
T01 << 1462348645.04364800 Mix (48.79348s) stopped
T01 << 1462348645.04372311 Density (867.29591s) stopped
T01 >> 1462348645.04381609 Hamiltonian (9844.87795s) started
T01 >> 1462348645.04383612 vbar (5.77645s) started
T01 << 1462348645.05862093 vbar (5.79124s) stopped
T01 >> 1462348645.05873489 XC 3D grid (4276.08015s) started
T01 >> 1462348645.24285293 van der Waals (4127.09449s) started
T01 >> 1462348645.28530908 semilocal (930.96219s) started
T01 << 1462348647.54243708 semilocal (933.21932s) stopped
T01 >> 1462348647.57536507 redistribute (455.41556s) started
T01 << 1462348647.95394993 redistribute (455.79415s) stopped
T01 >> 1462348647.95401907 libvdwxc nonlocal (2709.18958s) started
T01 << 1462348654.53591704 libvdwxc nonlocal (2715.77148s) stopped
T01 >> 1462348654.53597689 redistribute (455.79419s) started
T01 << 1462348655.20470190 redistribute (456.46291s) stopped
T01 << 1462348655.20589709 van der Waals (4137.05754s) stopped
T01 << 1462348655.38001800 XC 3D grid (4286.40143s) stopped
T01 >> 1462348655.38006401 Poisson (884.14906s) started
T01 << 1462348657.16741800 Poisson (885.93641s) stopped
T01 >> 1462348657.16750693 Hartree integrate/restrict (33.81315s) started
T01 << 1462348657.18460011 Hartree integrate/restrict (33.83025s) stopped
T01 >> 1462348657.18467498 Hartree integrate/restrict (33.83030s) started
T01 << 1462348657.25430202 Hartree integrate/restrict (33.89992s) stopped
T01 >> 1462348657.27051306 Atomic (2638.24794s) started
T01 >> 1462348657.28139806 XC Correction (2632.84583s) started
T01 << 1462348663.81027389 XC Correction (2639.37471s) stopped
T01 << 1462348663.81345105 Atomic (2644.79088s) stopped
T01 >> 1462348663.81360412 Communicate (1997.93203s) started
T01 << 1462348668.62936902 Communicate (2002.74780s) stopped
T01 << 1462348668.62940407 Hamiltonian (9868.46353s) stopped
T01 >> 1462348668.62952209 LCAO eigensolver (3539.74520s) started
T01 >> 1462348668.62953711 Potential matrix (113.33802s) started
T01 << 1462348668.89203000 Potential matrix (113.60051s) stopped
T01 >> 1462348668.89210606 DistributedAtomicCorrection (587.47755s) started
T01 << 1462348670.24871612 DistributedAtomicCorrection (588.83416s) stopped
T01 >> 1462348670.24880099 Distribute overlap matrix (508.79962s) started
T01 >> 1462348670.24882293 blocked summation (482.31103s) started
T01 << 1462348671.34349394 blocked summation (483.40570s) stopped
T01 >> 1462348671.34531903 Scalapack redistribute (25.81126s) started
T01 << 1462348671.40506196 Scalapack redistribute (25.87100s) stopped
T01 << 1462348671.40515590 Distribute overlap matrix (509.95598s) stopped
T01 >> 1462348671.40574503 Blacs Orbital Layouts (1214.25847s) started
T01 >> 1462348671.40732098 General diagonalize (1190.11878s) started
T01 << 1462348674.11739993 General diagonalize (1192.82886s) stopped
T01 >> 1462348674.11746311 Redistribute coefs (1.29850s) started
T01 << 1462348674.12053895 Redistribute coefs (1.30157s) stopped
T01 >> 1462348674.12058711 Send coefs to domains (22.17246s) started
T01 << 1462348674.17406106 Send coefs to domains (22.22594s) stopped
T01 << 1462348674.17453098 Blacs Orbital Layouts (1217.02726s) stopped
T01 >> 1462348674.17458892 Calculate projections (1115.49859s) started
T01 << 1462348676.69922709 Calculate projections (1118.02323s) stopped
T01 << 1462348676.69948292 LCAO eigensolver (3547.81516s) stopped
T01 >> 1462348676.70018506 Density (867.29593s) started
T01 >> 1462348676.70019794 Pseudo density (716.72930s) started
T01 >> 1462348676.70062089 Calculate density matrix (644.09914s) started
T01 << 1462348678.24851489 Calculate density matrix (645.64703s) stopped
T01 >> 1462348678.24864101 Construct density (71.62497s) started
T01 << 1462348678.42445993 Construct density (71.80079s) stopped
T01 >> 1462348678.42678690 Symmetrize density (0.01809s) started
T01 << 1462348678.42682004 Symmetrize density (0.01812s) stopped
T01 << 1462348678.42725897 Pseudo density (718.45636s) stopped
T01 >> 1462348678.42727804 Atomic density matrices (99.68868s) started
T01 << 1462348678.67894006 Atomic density matrices (99.94034s) stopped
T01 >> 1462348678.67897892 Multipole moments (1.61281s) started
T01 << 1462348678.68296909 Multipole moments (1.61681s) stopped
T01 >> 1462348678.68299198 Normalize (0.44412s) started
T01 << 1462348678.68410611 Normalize (0.44523s) stopped
T01 >> 1462348678.68414307 Mix (48.79355s) started
T01 << 1462348678.80438995 Mix (48.91380s) stopped
T01 << 1462348678.80448890 Density (869.40023s) stopped
T01 >> 1462348678.80459690 Hamiltonian (9868.46355s) started
T01 >> 1462348678.80461597 vbar (5.79131s) started
T01 << 1462348678.82009101 vbar (5.80678s) stopped
T01 >> 1462348678.82018995 XC 3D grid (4286.40146s) started
T01 >> 1462348678.99934101 van der Waals (4137.05759s) started
T01 >> 1462348679.04365206 semilocal (933.21940s) started
T01 << 1462348681.27708197 semilocal (935.45283s) stopped
T01 >> 1462348681.30986094 redistribute (456.46297s) started
T01 << 1462348681.69496894 redistribute (456.84807s) stopped
T01 >> 1462348681.69503808 libvdwxc nonlocal (2715.77151s) started
T01 << 1462348688.23420691 libvdwxc nonlocal (2722.31068s) stopped
T01 >> 1462348688.23427010 redistribute (456.84811s) started
T01 << 1462348688.89073491 redistribute (457.50458s) stopped
T01 << 1462348688.89174199 van der Waals (4146.94999s) stopped
T01 << 1462348689.07249498 XC 3D grid (4296.65377s) stopped
T01 >> 1462348689.07255602 Poisson (885.93648s) started
T01 << 1462348690.27817988 Poisson (887.14211s) stopped
T01 >> 1462348690.27828908 Hartree integrate/restrict (33.89996s) started
T01 << 1462348690.29540491 Hartree integrate/restrict (33.91707s) stopped
T01 >> 1462348690.29549503 Hartree integrate/restrict (33.91714s) started
T01 << 1462348690.35942888 Hartree integrate/restrict (33.98107s) stopped
T01 >> 1462348690.38332009 Atomic (2644.79089s) started
T01 >> 1462348690.39406204 XC Correction (2639.37474s) started
T01 << 1462348696.91586804 XC Correction (2645.89654s) stopped
T01 << 1462348696.91906691 Atomic (2651.32664s) stopped
T01 >> 1462348696.91921711 Communicate (2002.74782s) started
T01 << 1462348701.87101197 Communicate (2007.69962s) stopped
T01 << 1462348701.87104607 Hamiltonian (9891.53000s) stopped
T01 >> 1462348701.87116408 LCAO eigensolver (3547.81518s) started
T01 >> 1462348701.87117910 Potential matrix (113.60055s) started
T01 << 1462348702.13205409 Potential matrix (113.86143s) stopped
T01 >> 1462348702.13212991 DistributedAtomicCorrection (588.83420s) started
T01 << 1462348703.48118997 DistributedAtomicCorrection (590.18326s) stopped
T01 >> 1462348703.48127508 Distribute overlap matrix (509.95599s) started
T01 >> 1462348703.48129797 blocked summation (483.40574s) started
T01 << 1462348704.56313396 blocked summation (484.48758s) stopped
T01 >> 1462348704.56481099 Scalapack redistribute (25.87104s) started
T01 << 1462348704.62464595 Scalapack redistribute (25.93088s) stopped
T01 << 1462348704.62473297 Distribute overlap matrix (511.09945s) stopped
T01 >> 1462348704.62531900 Blacs Orbital Layouts (1217.02728s) started
T01 >> 1462348704.62647891 General diagonalize (1192.82890s) started
T01 << 1462348707.34399605 General diagonalize (1195.54641s) stopped
T01 >> 1462348707.34405994 Redistribute coefs (1.30161s) started
T01 << 1462348707.34774590 Redistribute coefs (1.30530s) stopped
T01 >> 1462348707.34779310 Send coefs to domains (22.22598s) started
T01 << 1462348707.40037704 Send coefs to domains (22.27857s) stopped
T01 << 1462348707.40063500 Blacs Orbital Layouts (1219.80259s) stopped
T01 >> 1462348707.40069103 Calculate projections (1118.02327s) started
T01 << 1462348709.92558193 Calculate projections (1120.54816s) stopped
T01 << 1462348709.92584395 LCAO eigensolver (3555.86986s) stopped
T01 << 1462348709.92655492 SCF-cycle (14317.16705s) stopped
T01 >> 1462348710.77013993 Force calculation (691.36517s) started
T01 >> 1462348710.77019691 LCAO forces (436.28293s) started
T01 >> 1462348710.77055001 Initial (0.00051s) started
T01 << 1462348710.77056098 Initial (0.00052s) stopped
T01 >> 1462348710.77480197 Get density matrix (84.68563s) started
T01 << 1462348711.38734889 Get density matrix (85.29818s) stopped
T01 >> 1462348711.38742495 Potential (31.24331s) started
T01 << 1462348712.79438996 Potential (32.65027s) stopped
T01 >> 1462348712.79445696 Get density matrix (85.29821s) started
T01 << 1462348716.01079893 Get density matrix (88.51456s) stopped
T01 >> 1462348716.01094007 Prepare TCI loop (43.62903s) started
T01 >> 1462348716.01141906 Get neighbors (39.29710s) started
T01 << 1462348717.79509497 Get neighbors (41.08077s) stopped
T01 >> 1462348717.79531693 broadcast dH (4.31636s) started
T01 << 1462348717.91807103 broadcast dH (4.43912s) stopped
T01 << 1462348717.91811609 Prepare TCI loop (45.53621s) stopped
T01 >> 1462348717.91813493 Not so complicated loop (61.25705s) started
T01 << 1462348720.72701097 Not so complicated loop (64.06592s) stopped
T01 >> 1462348720.85018110 Complicated loop (212.43521s) started
T01 << 1462348730.33859611 Complicated loop (221.92363s) stopped
T01 >> 1462348730.34980893 Wait for sum (0.00127s) started
T01 << 1462348730.34984803 Wait for sum (0.00131s) stopped
T01 << 1462348730.34985995 LCAO forces (455.86259s) stopped
T01 << 1462348743.03476691 Force calculation (723.62980s) stopped
T01 >> 1462348743.05284500 Initialization (1195.40352s) started
T01 << 1462348743.05303907 Initialization (1195.40372s) stopped
T01 >> 1462348743.05330896 Initialization (1195.40373s) started
T01 << 1462348743.05344105 Initialization (1195.40387s) stopped
T01 >> 1462348743.05357790 Initialization (1195.40388s) started
T01 << 1462348743.05371499 Initialization (1195.40402s) stopped
T01 >> 1462348763.41552806 Initialization (1195.40404s) started
T01 >> 1462348763.45777202 Basic WFS set positions (2.30031s) started
T01 >> 1462348763.45779800 Redistribute (0.03831s) started
T01 << 1462348763.45793700 Redistribute (0.03845s) stopped
T01 << 1462348763.55313110 Basic WFS set positions (2.39567s) stopped
T01 >> 1462348763.55316591 Basis functions set positions (9.97777s) started
T01 << 1462348763.96237302 Basis functions set positions (10.38697s) stopped
T01 >> 1462348763.96389389 TCI: Calculate S, T, P (357.88177s) started
T01 << 1462348779.18432212 TCI: Calculate S, T, P (373.10220s) stopped
T01 >> 1462348779.18443298 blocked summation (94.22262s) started
T01 << 1462348782.96635103 blocked summation (98.00453s) stopped
T01 >> 1462348782.96792197 Scalapack redistribute (5.42846s) started
T01 << 1462348783.02720690 Scalapack redistribute (5.48775s) stopped
T01 >> 1462348783.02760005 blocked summation (98.00458s) started
T01 << 1462348783.21449590 blocked summation (98.19147s) stopped
T01 >> 1462348783.21609092 Scalapack redistribute (5.48781s) started
T01 << 1462348783.41629410 Scalapack redistribute (5.68802s) stopped
T01 >> 1462348783.41769409 Redistribute (0.04667s) started
T01 << 1462348783.41868806 Redistribute (0.04767s) stopped
T01 >> 1462348784.32113290 Redistribute (0.04768s) started
T01 << 1462348784.32216692 Redistribute (0.04872s) stopped
T01 >> 1462348784.33135104 LCAO WFS Initialize (699.90136s) started
T01 >> 1462348784.33138108 Density initialize from wavefunctions (27.82278s) started
T01 >> 1462348784.33183408 Calculate density matrix (16.17651s) started
T01 << 1462348785.04668188 Calculate density matrix (16.89136s) stopped
T01 >> 1462348785.04674911 Construct density (3.94845s) started
T01 << 1462348785.22309208 Construct density (4.12480s) stopped
T01 >> 1462348785.22473001 Symmetrize density (0.00098s) started
T01 << 1462348785.22476196 Symmetrize density (0.00101s) stopped
T01 << 1462348785.56326199 Density initialize from wavefunctions (29.05466s) stopped
T01 >> 1462348785.56380892 Hamiltonian (671.86990s) started
T01 >> 1462348785.56383300 vbar (0.34010s) started
T01 << 1462348785.57966709 vbar (0.35593s) stopped
T01 >> 1462348785.57974005 XC 3D grid (245.85416s) started
T01 >> 1462348785.75965810 van der Waals (237.30912s) started
T01 >> 1462348785.80198193 semilocal (53.24203s) started
T01 << 1462348788.01625800 semilocal (55.45630s) stopped
T01 >> 1462348788.04703903 redistribute (25.95772s) started
T01 << 1462348788.44062901 redistribute (26.35131s) stopped
T01 >> 1462348788.44070292 libvdwxc nonlocal (156.29905s) started
T01 << 1462348795.02267408 libvdwxc nonlocal (162.88102s) stopped
T01 >> 1462348795.02274489 redistribute (26.35135s) started
T01 << 1462348795.66740608 redistribute (26.99601s) stopped
T01 << 1462348795.66850996 van der Waals (247.21797s) stopped
T01 << 1462348795.84956503 XC 3D grid (256.12398s) stopped
T01 >> 1462348795.84961104 Poisson (114.30665s) started
T01 << 1462348800.52918410 Poisson (118.98623s) stopped
T01 >> 1462348800.52927399 Hartree integrate/restrict (1.92647s) started
T01 << 1462348800.54636693 Hartree integrate/restrict (1.94356s) stopped
T01 >> 1462348800.54645991 Hartree integrate/restrict (1.94363s) started
T01 << 1462348800.60907292 Hartree integrate/restrict (2.00624s) stopped
T01 >> 1462348800.63354301 Atomic (160.29819s) started
T01 >> 1462348800.64426208 XC Correction (159.98121s) started
T01 << 1462348807.38046598 XC Correction (166.71741s) stopped
T01 << 1462348807.38366294 Atomic (167.04831s) stopped
T01 >> 1462348807.38392496 Communicate (148.61808s) started
T01 << 1462348813.78702402 Communicate (155.02118s) stopped
T01 << 1462348813.78706002 Hamiltonian (700.09315s) stopped
T01 << 1462348813.78711700 LCAO WFS Initialize (729.35712s) stopped
T01 << 1462348813.79965401 Initialization (1245.78816s) stopped
T01 >> 1462348813.82487607 SCF-cycle (14317.16706s) started
T01 >> 1462348813.82491708 LCAO eigensolver (3555.86988s) started
T01 >> 1462348813.82492995 Potential matrix (113.86147s) started
T01 << 1462348814.08998799 Potential matrix (114.12653s) stopped
T01 >> 1462348814.09006500 DistributedAtomicCorrection (590.18329s) started
T01 << 1462348815.43970394 DistributedAtomicCorrection (591.53293s) stopped
T01 >> 1462348815.43978810 Distribute overlap matrix (511.09946s) started
T01 >> 1462348815.43981099 blocked summation (484.48762s) started
T01 << 1462348816.56020594 blocked summation (485.60801s) stopped
T01 >> 1462348816.56161904 Scalapack redistribute (25.93092s) started
T01 << 1462348816.62028599 Scalapack redistribute (25.98958s) stopped
T01 << 1462348816.62036610 Distribute overlap matrix (512.28004s) stopped
T01 >> 1462348816.62093592 Blacs Orbital Layouts (1219.80261s) started
T01 >> 1462348816.62213898 General diagonalize (1195.54645s) started
T01 << 1462348819.32925701 General diagonalize (1198.25357s) stopped
T01 >> 1462348819.32930899 Redistribute coefs (1.30533s) started
T01 << 1462348819.33220506 Redistribute coefs (1.30823s) stopped
T01 >> 1462348819.33225107 Send coefs to domains (22.27861s) started
T01 << 1462348819.38627601 Send coefs to domains (22.33263s) stopped
T01 << 1462348819.38633108 Blacs Orbital Layouts (1222.56801s) stopped
T01 >> 1462348819.38635612 Calculate projections (1120.54821s) started
T01 << 1462348821.91130805 Calculate projections (1123.07316s) stopped
T01 << 1462348821.91138291 LCAO eigensolver (3563.95634s) stopped
T01 >> 1462348821.91201997 Density (869.40025s) started
T01 >> 1462348821.91203308 Pseudo density (718.45638s) started
T01 >> 1462348821.91245389 Calculate density matrix (645.64709s) started
T01 << 1462348823.47837305 Calculate density matrix (647.21301s) stopped
T01 >> 1462348823.47845697 Construct density (71.80083s) started
T01 << 1462348823.65486503 Construct density (71.97723s) stopped
T01 >> 1462348823.65629292 Symmetrize density (0.01813s) started
T01 << 1462348823.65632701 Symmetrize density (0.01817s) stopped
T01 << 1462348823.65678096 Pseudo density (720.20112s) stopped
T01 >> 1462348823.65680003 Atomic density matrices (99.94037s) started
T01 << 1462348823.90032196 Atomic density matrices (100.18389s) stopped
T01 >> 1462348823.90036297 Multipole moments (1.61682s) started
T01 << 1462348823.90438294 Multipole moments (1.62084s) stopped
T01 >> 1462348823.90440607 Normalize (0.44526s) started
T01 << 1462348823.90552211 Normalize (0.44637s) stopped
T01 >> 1462348823.90555692 Mix (48.91389s) started
T01 << 1462348824.01110101 Mix (49.01944s) stopped
T01 << 1462348824.01120210 Density (871.49943s) stopped
T01 >> 1462348824.01138902 Hamiltonian (9891.53001s) started
T01 >> 1462348824.01141000 vbar (5.80684s) started
T01 << 1462348824.02586603 vbar (5.82130s) stopped
T01 >> 1462348824.02598095 XC 3D grid (4296.65382s) started
T01 >> 1462348824.20630598 van der Waals (4146.95004s) started
T01 >> 1462348824.24854398 semilocal (935.45292s) started
T01 << 1462348826.50325990 semilocal (937.70764s) stopped
T01 >> 1462348826.53544497 redistribute (457.50462s) started
T01 << 1462348826.91404700 redistribute (457.88323s) stopped
T01 >> 1462348826.91411495 libvdwxc nonlocal (2722.31072s) started
T01 << 1462348833.46353292 libvdwxc nonlocal (2728.86014s) stopped
T01 >> 1462348833.46359491 redistribute (457.88327s) started
T01 << 1462348834.11067295 redistribute (458.53034s) stopped
T01 << 1462348834.11179495 van der Waals (4156.85553s) stopped
T01 << 1462348834.29568410 XC 3D grid (4306.92352s) stopped
T01 >> 1462348834.29573703 Poisson (887.14219s) started
T01 << 1462348836.07845211 Poisson (888.92490s) stopped
T01 >> 1462348836.07855392 Hartree integrate/restrict (33.98111s) started
T01 << 1462348836.09558797 Hartree integrate/restrict (33.99814s) stopped
T01 >> 1462348836.09568405 Hartree integrate/restrict (33.99821s) started
T01 << 1462348836.15928698 Hartree integrate/restrict (34.06181s) stopped
T01 >> 1462348836.18321609 Atomic (2651.32666s) started
T01 >> 1462348836.19356704 XC Correction (2645.89657s) started
T01 << 1462348842.95243406 XC Correction (2652.65544s) stopped
T01 << 1462348842.95556593 Atomic (2658.09901s) stopped
T01 >> 1462348842.95571899 Communicate (2007.69964s) started
T01 << 1462348849.11484194 Communicate (2013.85877s) stopped
T01 << 1462348849.11487794 Hamiltonian (9916.63350s) stopped
T01 >> 1462348849.11500096 LCAO eigensolver (3563.95636s) started
T01 >> 1462348849.11501503 Potential matrix (114.12657s) started
T01 << 1462348849.37708402 Potential matrix (114.38864s) stopped
T01 >> 1462348849.37716198 DistributedAtomicCorrection (591.53297s) started
T01 << 1462348850.73115706 DistributedAtomicCorrection (592.88697s) stopped
T01 >> 1462348850.73124099 Distribute overlap matrix (512.28005s) started
T01 >> 1462348850.73126197 blocked summation (485.60805s) started
T01 << 1462348851.83846402 blocked summation (486.71525s) stopped
T01 >> 1462348851.83989096 Scalapack redistribute (25.98962s) started
T01 << 1462348851.89836192 Scalapack redistribute (26.04809s) stopped
T01 << 1462348851.89843988 Distribute overlap matrix (513.44725s) stopped
T01 >> 1462348851.89902997 Blacs Orbital Layouts (1222.56802s) started
T01 >> 1462348851.90024590 General diagonalize (1198.25361s) started
T01 << 1462348854.59448409 General diagonalize (1200.94785s) stopped
T01 >> 1462348854.59453392 Redistribute coefs (1.30827s) started
T01 << 1462348854.59748602 Redistribute coefs (1.31122s) stopped
T01 >> 1462348854.59752893 Send coefs to domains (22.33268s) started
T01 << 1462348854.65117693 Send coefs to domains (22.38632s) stopped
T01 << 1462348854.65123105 Blacs Orbital Layouts (1225.32022s) stopped
T01 >> 1462348854.65127707 Calculate projections (1123.07321s) started
T01 << 1462348857.17629194 Calculate projections (1125.59822s) stopped
T01 << 1462348857.17636609 LCAO eigensolver (3572.01772s) stopped
T01 >> 1462348857.17701602 Density (871.49952s) started
T01 >> 1462348857.17702889 Pseudo density (720.20114s) started
T01 >> 1462348857.17744088 Calculate density matrix (647.21306s) started
T01 << 1462348858.75428605 Calculate density matrix (648.78990s) stopped
T01 >> 1462348858.75435495 Construct density (71.97727s) started
T01 << 1462348858.93075490 Construct density (72.15367s) stopped
T01 >> 1462348858.93223310 Symmetrize density (0.01818s) started
T01 << 1462348858.93226790 Symmetrize density (0.01821s) stopped
T01 << 1462348858.93272305 Pseudo density (721.95683s) stopped
T01 >> 1462348858.93274307 Atomic density matrices (100.18392s) started
T01 << 1462348859.17691493 Atomic density matrices (100.42809s) stopped
T01 >> 1462348859.17695689 Multipole moments (1.62086s) started
T01 << 1462348859.18094492 Multipole moments (1.62484s) stopped
T01 >> 1462348859.18096709 Normalize (0.44640s) started
T01 << 1462348859.18208408 Normalize (0.44752s) stopped
T01 >> 1462348859.18212008 Mix (49.01953s) started
T01 << 1462348859.29131198 Mix (49.12872s) stopped
T01 << 1462348859.29140091 Density (873.61391s) stopped
T01 >> 1462348859.29150605 Hamiltonian (9916.63352s) started
T01 >> 1462348859.29152489 vbar (5.82137s) started
T01 << 1462348859.30610108 vbar (5.83594s) stopped
T01 >> 1462348859.30619311 XC 3D grid (4306.92356s) started
T01 >> 1462348859.48429704 van der Waals (4156.85555s) started
T01 >> 1462348859.52831602 semilocal (937.70771s) started
T01 << 1462348861.75271201 semilocal (939.93211s) stopped
T01 >> 1462348861.78459501 redistribute (458.53038s) started
T01 << 1462348862.18475509 redistribute (458.93054s) stopped
T01 >> 1462348862.18482208 libvdwxc nonlocal (2728.86018s) started
T01 << 1462348868.76062393 libvdwxc nonlocal (2735.43599s) stopped
T01 >> 1462348868.76068902 redistribute (458.93058s) started
T01 << 1462348869.40980911 redistribute (459.57970s) stopped
T01 << 1462348869.41083407 van der Waals (4166.78209s) stopped
T01 << 1462348869.58955407 XC 3D grid (4317.20692s) stopped
T01 >> 1462348869.58960199 Poisson (888.92498s) started
T01 << 1462348871.37234998 Poisson (890.70773s) stopped
T01 >> 1462348871.37245011 Hartree integrate/restrict (34.06187s) started
T01 << 1462348871.38947797 Hartree integrate/restrict (34.07889s) stopped
T01 >> 1462348871.38955092 Hartree integrate/restrict (34.07895s) started
T01 << 1462348871.45365095 Hartree integrate/restrict (34.14305s) stopped
T01 >> 1462348871.47304201 Atomic (2658.09903s) started
T01 >> 1462348871.48329997 XC Correction (2652.65546s) started
T01 << 1462348877.88318610 XC Correction (2659.05535s) stopped
T01 << 1462348877.88632011 Atomic (2664.51230s) stopped
T01 >> 1462348877.88646889 Communicate (2013.85879s) started
T01 << 1462348883.65452909 Communicate (2019.62685s) stopped
T01 << 1462348883.65456200 Hamiltonian (9940.99657s) stopped
T01 >> 1462348883.65468502 LCAO eigensolver (3572.01773s) started
T01 >> 1462348883.65470004 Potential matrix (114.38868s) started
T01 << 1462348883.91615105 Potential matrix (114.65013s) stopped
T01 >> 1462348883.91622710 DistributedAtomicCorrection (592.88700s) started
T01 << 1462348885.26037908 DistributedAtomicCorrection (594.23116s) stopped
T01 >> 1462348885.26046300 Distribute overlap matrix (513.44726s) started
T01 >> 1462348885.26048493 blocked summation (486.71529s) started
T01 << 1462348886.39599299 blocked summation (487.85080s) stopped
T01 >> 1462348886.39741611 Scalapack redistribute (26.04812s) started
T01 << 1462348886.45789909 Scalapack redistribute (26.10861s) stopped
T01 << 1462348886.45797801 Distribute overlap matrix (514.64478s) stopped
T01 >> 1462348886.45855689 Blacs Orbital Layouts (1225.32023s) started
T01 >> 1462348886.45976210 General diagonalize (1200.94789s) started
T01 << 1462348889.17774391 General diagonalize (1203.66587s) stopped
T01 >> 1462348889.17780900 Redistribute coefs (1.31125s) started
T01 << 1462348889.18054509 Redistribute coefs (1.31399s) stopped
T01 >> 1462348889.18059111 Send coefs to domains (22.38637s) started
T01 << 1462348889.23346806 Send coefs to domains (22.43924s) stopped
T01 << 1462348889.23352504 Blacs Orbital Layouts (1228.09520s) stopped
T01 >> 1462348889.23357105 Calculate projections (1125.59827s) started
T01 << 1462348891.75850701 Calculate projections (1128.12321s) stopped
T01 << 1462348891.75857997 LCAO eigensolver (3580.12163s) stopped
T01 >> 1462348891.75928593 Density (873.61392s) started
T01 >> 1462348891.75929904 Pseudo density (721.95685s) started
T01 >> 1462348891.75973511 Calculate density matrix (648.78995s) started
T01 << 1462348893.33172107 Calculate density matrix (650.36193s) stopped
T01 >> 1462348893.33182907 Construct density (72.15370s) started
T01 << 1462348893.50812793 Construct density (72.33000s) stopped
T01 >> 1462348893.50956988 Symmetrize density (0.01823s) started
T01 << 1462348893.50960207 Symmetrize density (0.01826s) stopped
T01 << 1462348893.51007700 Pseudo density (723.70762s) stopped
T01 >> 1462348893.51009703 Atomic density matrices (100.42812s) started
T01 << 1462348893.75273108 Atomic density matrices (100.67076s) stopped
T01 >> 1462348893.75277209 Multipole moments (1.62486s) started
T01 << 1462348893.75673199 Multipole moments (1.62882s) stopped
T01 >> 1462348893.75675297 Normalize (0.44754s) started
T01 << 1462348893.75789499 Normalize (0.44868s) stopped
T01 >> 1462348893.75793195 Mix (49.12881s) started
T01 << 1462348893.87028790 Mix (49.24117s) stopped
T01 << 1462348893.87037611 Density (875.72501s) stopped
T01 >> 1462348893.87048197 Hamiltonian (9940.99658s) started
T01 >> 1462348893.87050295 vbar (5.83600s) started
T01 << 1462348893.88506007 vbar (5.85055s) stopped
T01 >> 1462348893.88514590 XC 3D grid (4317.20696s) started
T01 >> 1462348894.05864692 van der Waals (4166.78213s) started
T01 >> 1462348894.10152411 semilocal (939.93218s) started
T01 << 1462348896.31461811 semilocal (942.14527s) stopped
T01 >> 1462348896.34752393 redistribute (459.57975s) started
T01 << 1462348896.74521708 redistribute (459.97744s) stopped
T01 >> 1462348896.74528408 libvdwxc nonlocal (2735.43603s) started
T01 << 1462348903.31546211 libvdwxc nonlocal (2742.00621s) stopped
T01 >> 1462348903.31552792 redistribute (459.97748s) started
T01 << 1462348903.96049809 redistribute (460.62245s) stopped
T01 << 1462348903.96151710 van der Waals (4176.68500s) stopped
T01 << 1462348904.14208293 XC 3D grid (4327.46389s) stopped
T01 >> 1462348904.14213300 Poisson (890.70780s) started
T01 << 1462348906.50687790 Poisson (893.07255s) stopped
T01 >> 1462348906.50695610 Hartree integrate/restrict (34.14309s) started
T01 << 1462348906.52402997 Hartree integrate/restrict (34.16016s) stopped
T01 >> 1462348906.52408910 Hartree integrate/restrict (34.16020s) started
T01 << 1462348906.58703899 Hartree integrate/restrict (34.22315s) stopped
T01 >> 1462348906.60753489 Atomic (2664.51232s) started
T01 >> 1462348906.61787391 XC Correction (2659.05537s) started
T01 << 1462348912.92511797 XC Correction (2665.36262s) stopped
T01 << 1462348912.92827392 Atomic (2670.83306s) stopped
T01 >> 1462348912.92842507 Communicate (2019.62687s) started
T01 << 1462348918.24715400 Communicate (2024.94560s) stopped
T01 << 1462348918.24718904 Hamiltonian (9965.37329s) stopped
T01 >> 1462348918.24730706 LCAO eigensolver (3580.12164s) started
T01 >> 1462348918.24732089 Potential matrix (114.65017s) started
T01 << 1462348918.50859809 Potential matrix (114.91145s) stopped
T01 >> 1462348918.50867701 DistributedAtomicCorrection (594.23119s) started
T01 << 1462348919.85324001 DistributedAtomicCorrection (595.57576s) stopped
T01 >> 1462348919.85332489 Distribute overlap matrix (514.64479s) started
T01 >> 1462348919.85334706 blocked summation (487.85084s) started
T01 << 1462348920.97234607 blocked summation (488.96984s) stopped
T01 >> 1462348920.97379708 Scalapack redistribute (26.10864s) started
T01 << 1462348921.03102207 Scalapack redistribute (26.16587s) stopped
T01 << 1462348921.03109789 Distribute overlap matrix (515.82256s) stopped
T01 >> 1462348921.03165603 Blacs Orbital Layouts (1228.09521s) started
T01 >> 1462348921.03284502 General diagonalize (1203.66591s) started
T01 << 1462348923.75331903 General diagonalize (1206.38638s) stopped
T01 >> 1462348923.75338411 Redistribute coefs (1.31402s) started
T01 << 1462348923.75712299 Redistribute coefs (1.31776s) stopped
T01 >> 1462348923.75716805 Send coefs to domains (22.43929s) started
T01 << 1462348923.80925202 Send coefs to domains (22.49137s) stopped
T01 << 1462348923.80930901 Blacs Orbital Layouts (1230.87286s) stopped
T01 >> 1462348923.80935693 Calculate projections (1128.12326s) started
T01 << 1462348926.33444405 Calculate projections (1130.64834s) stopped
T01 << 1462348926.33451796 LCAO eigensolver (3588.20885s) stopped
T01 >> 1462348926.33524299 Density (875.72503s) started
T01 >> 1462348926.33525491 Pseudo density (723.70764s) started
T01 >> 1462348926.33567095 Calculate density matrix (650.36199s) started
T01 << 1462348927.90838194 Calculate density matrix (651.93470s) stopped
T01 >> 1462348927.90846300 Construct density (72.33004s) started
T01 << 1462348928.08479190 Construct density (72.50637s) stopped
T01 >> 1462348928.08625388 Symmetrize density (0.01830s) started
T01 << 1462348928.08628702 Symmetrize density (0.01833s) stopped
T01 << 1462348928.08674002 Pseudo density (725.45912s) stopped
T01 >> 1462348928.08676004 Atomic density matrices (100.67079s) started
T01 << 1462348928.33024597 Atomic density matrices (100.91427s) stopped
T01 >> 1462348928.33028603 Multipole moments (1.62883s) started
T01 << 1462348928.33422995 Multipole moments (1.63278s) stopped
T01 >> 1462348928.33425307 Normalize (0.44871s) started
T01 << 1462348928.33535600 Normalize (0.44981s) stopped
T01 >> 1462348928.33539391 Mix (49.24125s) started
T01 << 1462348928.45140195 Mix (49.35726s) stopped
T01 << 1462348928.45150495 Density (877.84129s) stopped
T01 >> 1462348928.45161104 Hamiltonian (9965.37331s) started
T01 >> 1462348928.45163107 vbar (5.85060s) started
T01 << 1462348928.46615696 vbar (5.86513s) stopped
T01 >> 1462348928.46625090 XC 3D grid (4327.46393s) started
T01 >> 1462348928.64498401 van der Waals (4176.68504s) started
T01 >> 1462348928.68758011 semilocal (942.14537s) started
T01 << 1462348930.91521692 semilocal (944.37301s) stopped
T01 >> 1462348930.94762897 redistribute (460.62249s) started
T01 << 1462348931.32155800 redistribute (460.99642s) stopped
T01 >> 1462348931.32162595 libvdwxc nonlocal (2742.00625s) started
T01 << 1462348937.90698290 libvdwxc nonlocal (2748.59161s) stopped
T01 >> 1462348937.90705705 redistribute (460.99646s) started
T01 << 1462348938.55526710 redistribute (461.64467s) stopped
T01 << 1462348938.55624700 van der Waals (4186.59630s) stopped
T01 << 1462348938.73549509 XC 3D grid (4337.73317s) stopped
T01 >> 1462348938.73555708 Poisson (893.07260s) started
T01 << 1462348941.10378504 Poisson (895.44083s) stopped
T01 >> 1462348941.10389400 Hartree integrate/restrict (34.22321s) started
T01 << 1462348941.12083793 Hartree integrate/restrict (34.24015s) stopped
T01 >> 1462348941.12094808 Hartree integrate/restrict (34.24022s) started
T01 << 1462348941.18461990 Hartree integrate/restrict (34.30390s) stopped
T01 >> 1462348941.20885706 Atomic (2670.83308s) started
T01 >> 1462348941.21916008 XC Correction (2665.36264s) started
T01 << 1462348947.60118294 XC Correction (2671.74467s) stopped
T01 << 1462348947.60435390 Atomic (2677.22858s) stopped
T01 >> 1462348947.60450292 Communicate (2024.94562s) started
T01 << 1462348952.59848595 Communicate (2029.93961s) stopped
T01 << 1462348952.59852004 Hamiltonian (9989.52021s) stopped
T01 >> 1462348952.59864092 LCAO eigensolver (3588.20886s) started
T01 >> 1462348952.59865594 Potential matrix (114.91149s) started
T01 << 1462348952.86119795 Potential matrix (115.17403s) stopped
T01 >> 1462348952.86127496 DistributedAtomicCorrection (595.57579s) started
T01 << 1462348954.20077205 DistributedAtomicCorrection (596.91529s) stopped
T01 >> 1462348954.20085692 Distribute overlap matrix (515.82258s) started
T01 >> 1462348954.20088005 blocked summation (488.96988s) started
T01 << 1462348955.32562304 blocked summation (490.09462s) stopped
T01 >> 1462348955.32708097 Scalapack redistribute (26.16590s) started
T01 << 1462348955.38623190 Scalapack redistribute (26.22505s) stopped
T01 << 1462348955.38631105 Distribute overlap matrix (517.00803s) stopped
T01 >> 1462348955.38689399 Blacs Orbital Layouts (1230.87288s) started
T01 >> 1462348955.38804793 General diagonalize (1206.38642s) started
T01 << 1462348958.11223888 General diagonalize (1209.11061s) stopped
T01 >> 1462348958.11230397 Redistribute coefs (1.31779s) started
T01 << 1462348958.11594009 Redistribute coefs (1.32143s) stopped
T01 >> 1462348958.11598706 Send coefs to domains (22.49142s) started
T01 << 1462348958.16928411 Send coefs to domains (22.54471s) stopped
T01 << 1462348958.16960907 Blacs Orbital Layouts (1233.65559s) stopped
T01 >> 1462348958.16966391 Calculate projections (1130.64840s) started
T01 << 1462348960.69474101 Calculate projections (1133.17347s) stopped
T01 << 1462348960.69484711 LCAO eigensolver (3596.30507s) stopped
T01 >> 1462348960.69555306 Density (877.84131s) started
T01 >> 1462348960.69556689 Pseudo density (725.45914s) started
T01 >> 1462348960.69598389 Calculate density matrix (651.93474s) started
T01 << 1462348962.27945590 Calculate density matrix (653.51821s) stopped
T01 >> 1462348962.27953696 Construct density (72.50640s) started
T01 << 1462348962.45591307 Construct density (72.68278s) stopped
T01 >> 1462348962.45735502 Symmetrize density (0.01834s) started
T01 << 1462348962.45738792 Symmetrize density (0.01838s) stopped
T01 << 1462348962.45784092 Pseudo density (727.22141s) stopped
T01 >> 1462348962.45786095 Atomic density matrices (100.91430s) started
T01 << 1462348962.70150495 Atomic density matrices (101.15794s) stopped
T01 >> 1462348962.70154595 Multipole moments (1.63279s) started
T01 << 1462348962.70552897 Multipole moments (1.63678s) stopped
T01 >> 1462348962.70555210 Normalize (0.44984s) started
T01 << 1462348962.70666504 Normalize (0.45095s) stopped
T01 >> 1462348962.70670009 Mix (49.35736s) started
T01 << 1462348962.82667708 Mix (49.47734s) stopped
T01 << 1462348962.82675004 Density (879.97251s) stopped
T01 >> 1462348962.82684588 Hamiltonian (9989.52023s) started
T01 >> 1462348962.82686591 vbar (5.86518s) started
T01 << 1462348962.84186101 vbar (5.88018s) stopped
T01 >> 1462348962.84193301 XC 3D grid (4337.73322s) started
T01 >> 1462348963.02226901 van der Waals (4186.59633s) started
T01 >> 1462348963.06581807 semilocal (944.37312s) started
T01 << 1462348965.28155208 semilocal (946.58885s) stopped
T01 >> 1462348965.31304789 redistribute (461.64471s) started
T01 << 1462348965.69975710 redistribute (462.03142s) stopped
T01 >> 1462348965.69982505 libvdwxc nonlocal (2748.59166s) started
T01 << 1462348972.30082893 libvdwxc nonlocal (2755.19266s) stopped
T01 >> 1462348972.30088592 redistribute (462.03146s) started
T01 << 1462348972.96496797 redistribute (462.69554s) stopped
T01 << 1462348972.96616793 van der Waals (4196.54023s) stopped
T01 << 1462348973.14138794 XC 3D grid (4348.03268s) stopped
T01 >> 1462348973.14143801 Poisson (895.44091s) started
T01 << 1462348975.51630092 Poisson (897.81578s) stopped
T01 >> 1462348975.51638389 Hartree integrate/restrict (34.30393s) started
T01 << 1462348975.53343010 Hartree integrate/restrict (34.32098s) stopped
T01 >> 1462348975.53347802 Hartree integrate/restrict (34.32101s) started
T01 << 1462348975.59856296 Hartree integrate/restrict (34.38610s) stopped
T01 >> 1462348975.62054992 Atomic (2677.22859s) started
T01 >> 1462348975.63101912 XC Correction (2671.74469s) started
T01 << 1462348982.04683995 XC Correction (2678.16051s) stopped
T01 << 1462348982.05000901 Atomic (2683.65805s) stopped
T01 >> 1462348982.05016088 Communicate (2029.93963s) started
T01 << 1462348986.96584010 Communicate (2034.85531s) stopped
T01 << 1462348986.96588111 Hamiltonian (10013.65926s) stopped
T01 >> 1462348986.96601295 LCAO eigensolver (3596.30508s) started
T01 >> 1462348986.96602798 Potential matrix (115.17408s) started
T01 << 1462348987.22863007 Potential matrix (115.43668s) stopped
T01 >> 1462348987.22870708 DistributedAtomicCorrection (596.91533s) started
T01 << 1462348988.59249496 DistributedAtomicCorrection (598.27912s) stopped
T01 >> 1462348988.59258008 Distribute overlap matrix (517.00804s) started
T01 >> 1462348988.59260297 blocked summation (490.09466s) started
T01 << 1462348989.66286492 blocked summation (491.16492s) stopped
T01 >> 1462348989.66460705 Scalapack redistribute (26.22509s) started
T01 << 1462348989.72306490 Scalapack redistribute (26.28355s) stopped
T01 << 1462348989.72314191 Distribute overlap matrix (518.13860s) stopped
T01 >> 1462348989.72374797 Blacs Orbital Layouts (1233.65561s) started
T01 >> 1462348989.72491097 General diagonalize (1209.11065s) started
T01 << 1462348992.43055797 General diagonalize (1211.81630s) stopped
T01 >> 1462348992.43060899 Redistribute coefs (1.32147s) started
T01 << 1462348992.43433809 Redistribute coefs (1.32520s) stopped
T01 >> 1462348992.43438411 Send coefs to domains (22.54476s) started
T01 << 1462348992.48692989 Send coefs to domains (22.59730s) stopped
T01 << 1462348992.48722005 Blacs Orbital Layouts (1236.41908s) stopped
T01 >> 1462348992.48727703 Calculate projections (1133.17355s) started
T01 << 1462348995.01221991 Calculate projections (1135.69850s) stopped
T01 << 1462348995.01249003 LCAO eigensolver (3604.35156s) stopped
T01 >> 1462348995.01321101 Density (879.97252s) started
T01 >> 1462348995.01322389 Pseudo density (727.22143s) started
T01 >> 1462348995.01363707 Calculate density matrix (653.51825s) started
T01 << 1462348996.59661698 Calculate density matrix (655.10123s) stopped
T01 >> 1462348996.59670997 Construct density (72.68281s) started
T01 << 1462348996.77304196 Construct density (72.85914s) stopped
T01 >> 1462348996.77537107 Symmetrize density (0.01839s) started
T01 << 1462348996.77540398 Symmetrize density (0.01842s) stopped
T01 << 1462348996.77585506 Pseudo density (728.98406s) stopped
T01 >> 1462348996.77587390 Atomic density matrices (101.15797s) started
T01 << 1462348997.01771212 Atomic density matrices (101.39981s) stopped
T01 >> 1462348997.01775408 Multipole moments (1.63679s) started
T01 << 1462348997.02167606 Multipole moments (1.64072s) stopped
T01 >> 1462348997.02169895 Normalize (0.45098s) started
T01 << 1462348997.02282310 Normalize (0.45210s) stopped
T01 >> 1462348997.02286005 Mix (49.47741s) started
T01 << 1462348997.14434195 Mix (49.59889s) stopped
T01 << 1462348997.14442396 Density (882.10373s) stopped
T01 >> 1462348997.14452291 Hamiltonian (10013.65928s) started
T01 >> 1462348997.14454508 vbar (5.88022s) started
T01 << 1462348997.15891004 vbar (5.89458s) stopped
T01 >> 1462348997.15900612 XC 3D grid (4348.03272s) started
T01 >> 1462348997.33745694 van der Waals (4196.54029s) started
T01 >> 1462348997.38030601 semilocal (946.58893s) started
T01 << 1462348999.61033607 semilocal (948.81896s) stopped
T01 >> 1462348999.64017510 redistribute (462.69560s) started
T01 << 1462349000.01589394 redistribute (463.07132s) stopped
T01 >> 1462349000.01596093 libvdwxc nonlocal (2755.19270s) started
T01 << 1462349006.58458710 libvdwxc nonlocal (2761.76132s) stopped
T01 >> 1462349006.58464789 redistribute (463.07136s) started
T01 << 1462349007.25006104 redistribute (463.73677s) stopped
T01 << 1462349007.25126195 van der Waals (4206.45409s) stopped
T01 << 1462349007.42406988 XC 3D grid (4358.29778s) stopped
T01 >> 1462349007.42411900 Poisson (897.81584s) started
T01 << 1462349009.79915500 Poisson (900.19087s) stopped
T01 >> 1462349009.79926300 Hartree integrate/restrict (34.38613s) started
T01 << 1462349009.81637192 Hartree integrate/restrict (34.40324s) stopped
T01 >> 1462349009.81645799 Hartree integrate/restrict (34.40330s) started
T01 << 1462349009.88006902 Hartree integrate/restrict (34.46691s) stopped
T01 >> 1462349009.90246391 Atomic (2683.65807s) started
T01 >> 1462349009.91302800 XC Correction (2678.16054s) started
T01 << 1462349016.37129903 XC Correction (2684.61881s) stopped
T01 << 1462349016.37446690 Atomic (2690.13007s) stopped
T01 >> 1462349016.37461591 Communicate (2034.85534s) started
T01 << 1462349021.28139496 Communicate (2039.76211s) stopped
T01 << 1462349021.28143096 Hamiltonian (10037.79618s) stopped
T01 >> 1462349021.28155088 LCAO eigensolver (3604.35158s) started
T01 >> 1462349021.28156590 Potential matrix (115.43672s) started
T01 << 1462349021.54387808 Potential matrix (115.69903s) stopped
T01 >> 1462349021.54395509 DistributedAtomicCorrection (598.27915s) started
T01 << 1462349022.92261505 DistributedAtomicCorrection (599.65781s) stopped
T01 >> 1462349022.92270303 Distribute overlap matrix (518.13862s) started
T01 >> 1462349022.92272711 blocked summation (491.16496s) started
T01 << 1462349023.98497891 blocked summation (492.22722s) stopped
T01 >> 1462349023.98672891 Scalapack redistribute (26.28359s) started
T01 << 1462349024.04682708 Scalapack redistribute (26.34368s) stopped
T01 << 1462349024.04690504 Distribute overlap matrix (519.26282s) stopped
T01 >> 1462349024.04748893 Blacs Orbital Layouts (1236.41910s) started
T01 >> 1462349024.04864097 General diagonalize (1211.81634s) started
T01 << 1462349026.75393605 General diagonalize (1214.52163s) stopped
T01 >> 1462349026.75399899 Redistribute coefs (1.32523s) started
T01 << 1462349026.75776100 Redistribute coefs (1.32899s) stopped
T01 >> 1462349026.75780702 Send coefs to domains (22.59734s) started
T01 << 1462349026.81027293 Send coefs to domains (22.64981s) stopped
T01 << 1462349026.81055188 Blacs Orbital Layouts (1239.18216s) stopped
T01 >> 1462349026.81060410 Calculate projections (1135.69855s) started
T01 << 1462349029.33548903 Calculate projections (1138.22343s) stopped
T01 << 1462349029.33575296 LCAO eigensolver (3612.40578s) stopped
T01 >> 1462349029.33647108 Density (882.10375s) started
T01 >> 1462349029.33648300 Pseudo density (728.98407s) started
T01 >> 1462349029.33690500 Calculate density matrix (655.10128s) started
T01 << 1462349030.91736293 Calculate density matrix (656.68173s) stopped
T01 >> 1462349030.91744709 Construct density (72.85918s) started
T01 << 1462349031.09387207 Construct density (73.03560s) stopped
T01 >> 1462349031.09618092 Symmetrize density (0.01843s) started
T01 << 1462349031.09621501 Symmetrize density (0.01847s) stopped
T01 << 1462349031.09665394 Pseudo density (730.74424s) stopped
T01 >> 1462349031.09667706 Atomic density matrices (101.39984s) started
T01 << 1462349031.33972311 Atomic density matrices (101.64288s) stopped
T01 >> 1462349031.33976412 Multipole moments (1.64073s) started
T01 << 1462349031.34369493 Multipole moments (1.64466s) stopped
T01 >> 1462349031.34371710 Normalize (0.45213s) started
T01 << 1462349031.34483194 Normalize (0.45324s) stopped
T01 >> 1462349031.34486699 Mix (49.59897s) started
T01 << 1462349031.46555901 Mix (49.71966s) stopped
T01 << 1462349031.46565390 Density (884.23293s) stopped
T01 >> 1462349031.46575189 Hamiltonian (10037.79620s) started
T01 >> 1462349031.46577191 vbar (5.89464s) started
T01 << 1462349031.48067307 vbar (5.90954s) stopped
T01 >> 1462349031.48074794 XC 3D grid (4358.29782s) started
T01 >> 1462349031.65862799 van der Waals (4206.45414s) started
T01 >> 1462349031.70207596 semilocal (948.81905s) started
T01 << 1462349033.93357301 semilocal (951.05055s) stopped
T01 >> 1462349033.96411204 redistribute (463.73691s) started
T01 << 1462349034.34233904 redistribute (464.11513s) stopped
T01 >> 1462349034.34240699 libvdwxc nonlocal (2761.76136s) started
T01 << 1462349040.91665506 libvdwxc nonlocal (2768.33561s) stopped
T01 >> 1462349040.91671610 redistribute (464.11517s) started
T01 << 1462349041.58057189 redistribute (464.77903s) stopped
T01 << 1462349041.58192706 van der Waals (4216.37744s) stopped
T01 << 1462349041.75469589 XC 3D grid (4368.57176s) stopped
T01 >> 1462349041.75475788 Poisson (900.19096s) started
T01 << 1462349044.13093996 Poisson (902.56714s) stopped
T01 >> 1462349044.13105512 Hartree integrate/restrict (34.46695s) started
T01 << 1462349044.14803505 Hartree integrate/restrict (34.48393s) stopped
T01 >> 1462349044.14811611 Hartree integrate/restrict (34.48398s) started
T01 << 1462349044.21218705 Hartree integrate/restrict (34.54805s) stopped
T01 >> 1462349044.23184204 Atomic (2690.13009s) started
T01 >> 1462349044.24236107 XC Correction (2684.61884s) started
T01 << 1462349050.70034289 XC Correction (2691.07682s) stopped
T01 << 1462349050.70352006 Atomic (2696.60177s) stopped
T01 >> 1462349050.70367193 Communicate (2039.76214s) started
T01 << 1462349055.55450511 Communicate (2044.61297s) stopped
T01 << 1462349055.55453897 Hamiltonian (10061.88498s) stopped
T01 >> 1462349055.55466294 LCAO eigensolver (3612.40580s) started
T01 >> 1462349055.55467892 Potential matrix (115.69908s) started
T01 << 1462349055.81499600 Potential matrix (115.95939s) stopped
T01 >> 1462349055.81507111 DistributedAtomicCorrection (599.65785s) started
T01 << 1462349057.17725205 DistributedAtomicCorrection (601.02003s) stopped
T01 >> 1462349057.17733598 Distribute overlap matrix (519.26283s) started
T01 >> 1462349057.17735791 blocked summation (492.22726s) started
T01 << 1462349058.26635194 blocked summation (493.31625s) stopped
T01 >> 1462349058.26805902 Scalapack redistribute (26.34372s) started
T01 << 1462349058.32731199 Scalapack redistribute (26.40297s) stopped
T01 << 1462349058.32739305 Distribute overlap matrix (520.41289s) stopped
T01 >> 1462349058.32799411 Blacs Orbital Layouts (1239.18218s) started
T01 >> 1462349058.32914495 General diagonalize (1214.52167s) started
T01 << 1462349061.03700900 General diagonalize (1217.22953s) stopped
T01 >> 1462349061.03707409 Redistribute coefs (1.32903s) started
T01 << 1462349061.04094505 Redistribute coefs (1.33290s) stopped
T01 >> 1462349061.04099107 Send coefs to domains (22.64985s) started
T01 << 1462349061.09389901 Send coefs to domains (22.70276s) stopped
T01 << 1462349061.09418511 Blacs Orbital Layouts (1241.94837s) stopped
T01 >> 1462349061.09424090 Calculate projections (1138.22348s) started
T01 << 1462349063.61916900 Calculate projections (1140.74841s) stopped
T01 << 1462349063.61943293 LCAO eigensolver (3620.47057s) stopped
T01 >> 1462349063.62013507 Density (884.23296s) started
T01 >> 1462349063.62014794 Pseudo density (730.74426s) started
T01 >> 1462349063.62055707 Calculate density matrix (656.68178s) started
T01 << 1462349065.19933009 Calculate density matrix (658.26055s) stopped
T01 >> 1462349065.19941902 Construct density (73.03564s) started
T01 << 1462349065.37578297 Construct density (73.21200s) stopped
T01 >> 1462349065.37809610 Symmetrize density (0.01848s) started
T01 << 1462349065.37812805 Symmetrize density (0.01851s) stopped
T01 << 1462349065.37856889 Pseudo density (732.50268s) stopped
T01 >> 1462349065.37858796 Atomic density matrices (101.64291s) started
T01 << 1462349065.62083197 Atomic density matrices (101.88515s) stopped
T01 >> 1462349065.62087202 Multipole moments (1.64468s) started
T01 << 1462349065.62479401 Multipole moments (1.64860s) stopped
T01 >> 1462349065.62481689 Normalize (0.45327s) started
T01 << 1462349065.62594891 Normalize (0.45440s) stopped
T01 >> 1462349065.62598491 Mix (49.71975s) started
T01 << 1462349065.74606395 Mix (49.83983s) stopped
T01 << 1462349065.74616289 Density (886.35899s) stopped
T01 >> 1462349065.74626493 Hamiltonian (10061.88500s) started
T01 >> 1462349065.74628401 vbar (5.90958s) started
T01 << 1462349065.76097798 vbar (5.92428s) stopped
T01 >> 1462349065.76105595 XC 3D grid (4368.57181s) started
T01 >> 1462349065.94411302 van der Waals (4216.37750s) started
T01 >> 1462349065.98758888 semilocal (951.05063s) started
T01 << 1462349068.21327710 semilocal (953.27632s) stopped
T01 >> 1462349068.24557400 redistribute (464.77915s) started
T01 << 1462349068.62797809 redistribute (465.16155s) stopped
T01 >> 1462349068.62804508 libvdwxc nonlocal (2768.33565s) started
T01 << 1462349075.17554498 libvdwxc nonlocal (2774.88315s) stopped
T01 >> 1462349075.17560291 redistribute (465.16159s) started
T01 << 1462349075.83976412 redistribute (465.82575s) stopped
T01 << 1462349075.84077191 van der Waals (4226.27415s) stopped
T01 << 1462349076.01481605 XC 3D grid (4378.82557s) stopped
T01 >> 1462349076.01486492 Poisson (902.56723s) started
T01 << 1462349078.38983011 Poisson (904.94219s) stopped
T01 >> 1462349078.38992190 Hartree integrate/restrict (34.54809s) started
T01 << 1462349078.40702009 Hartree integrate/restrict (34.56518s) stopped
T01 >> 1462349078.40709805 Hartree integrate/restrict (34.56524s) started
T01 << 1462349078.47162199 Hartree integrate/restrict (34.62977s) stopped
T01 >> 1462349078.49347997 Atomic (2696.60179s) started
T01 >> 1462349078.50401711 XC Correction (2691.07684s) started
T01 << 1462349084.91929293 XC Correction (2697.49212s) stopped
T01 << 1462349084.92245793 Atomic (2703.03076s) stopped
T01 >> 1462349084.92261100 Communicate (2044.61299s) started
T01 << 1462349089.80677605 Communicate (2049.49716s) stopped
T01 << 1462349089.80681205 Hamiltonian (10085.94554s) stopped
T01 >> 1462349089.80693603 LCAO eigensolver (3620.47059s) started
T01 >> 1462349089.80695009 Potential matrix (115.95943s) started
T01 << 1462349090.06993198 Potential matrix (116.22242s) stopped
T01 >> 1462349090.07000804 DistributedAtomicCorrection (601.02007s) started
T01 << 1462349091.45544696 DistributedAtomicCorrection (602.40551s) stopped
T01 >> 1462349091.45556402 Distribute overlap matrix (520.41290s) started
T01 >> 1462349091.45558810 blocked summation (493.31629s) started
T01 << 1462349092.52918911 blocked summation (494.38989s) stopped
T01 >> 1462349092.53100395 Scalapack redistribute (26.40301s) started
T01 << 1462349092.59072709 Scalapack redistribute (26.46274s) stopped
T01 << 1462349092.59080410 Distribute overlap matrix (521.54814s) stopped
T01 >> 1462349092.59139705 Blacs Orbital Layouts (1241.94839s) started
T01 >> 1462349092.59255195 General diagonalize (1217.22957s) started
T01 << 1462349095.28354692 General diagonalize (1219.92057s) stopped
T01 >> 1462349095.28361106 Redistribute coefs (1.33293s) started
T01 << 1462349095.28737402 Redistribute coefs (1.33670s) stopped
T01 >> 1462349095.28742003 Send coefs to domains (22.70280s) started
T01 << 1462349095.34042001 Send coefs to domains (22.75580s) stopped
T01 << 1462349095.34071398 Blacs Orbital Layouts (1244.69770s) stopped
T01 >> 1462349095.34076691 Calculate projections (1140.74846s) started
T01 << 1462349097.86595893 Calculate projections (1143.27365s) stopped
T01 << 1462349097.86622691 LCAO eigensolver (3628.52988s) stopped
T01 >> 1462349097.86695409 Density (886.35900s) started
T01 >> 1462349097.86696601 Pseudo density (732.50270s) started
T01 >> 1462349097.86737490 Calculate density matrix (658.26059s) started
T01 << 1462349099.44806409 Calculate density matrix (659.84128s) stopped
T01 >> 1462349099.44815397 Construct density (73.21203s) started
T01 << 1462349099.62454796 Construct density (73.38843s) stopped
T01 >> 1462349099.62688589 Symmetrize density (0.01852s) started
T01 << 1462349099.62691998 Symmetrize density (0.01856s) stopped
T01 << 1462349099.62736011 Pseudo density (734.26309s) stopped
T01 >> 1462349099.62737894 Atomic density matrices (101.88518s) started
T01 << 1462349099.86953592 Atomic density matrices (102.12734s) stopped
T01 >> 1462349099.86957693 Multipole moments (1.64861s) started
T01 << 1462349099.87352204 Multipole moments (1.65256s) stopped
T01 >> 1462349099.87354398 Normalize (0.45442s) started
T01 << 1462349099.87466598 Normalize (0.45555s) stopped
T01 >> 1462349099.87470293 Mix (49.83992s) started
T01 << 1462349099.99481297 Mix (49.96003s) stopped
T01 << 1462349099.99487591 Density (888.48693s) stopped
T01 >> 1462349099.99497390 Hamiltonian (10085.94556s) started
T01 >> 1462349099.99499393 vbar (5.92432s) started
T01 << 1462349100.00993395 vbar (5.93927s) stopped
T01 >> 1462349100.01000094 XC 3D grid (4378.82561s) started
T01 >> 1462349100.19112492 van der Waals (4226.27418s) started
T01 >> 1462349100.23436809 semilocal (953.27641s) started
T01 << 1462349102.46744609 semilocal (955.50949s) stopped
T01 >> 1462349102.49777699 redistribute (465.82581s) started
T01 << 1462349102.87011194 redistribute (466.19814s) stopped
T01 >> 1462349102.87017894 libvdwxc nonlocal (2774.88318s) started
T01 << 1462349109.46822810 libvdwxc nonlocal (2781.48123s) stopped
T01 >> 1462349109.46828508 redistribute (466.19818s) started
T01 << 1462349110.12985396 redistribute (466.85975s) stopped
T01 << 1462349110.13107705 van der Waals (4236.21414s) stopped
T01 << 1462349110.30609202 XC 3D grid (4389.12170s) stopped
T01 >> 1462349110.30614209 Poisson (904.94227s) started
T01 << 1462349112.08578491 Poisson (906.72191s) stopped
T01 >> 1462349112.08586192 Hartree integrate/restrict (34.62980s) started
T01 << 1462349112.10295200 Hartree integrate/restrict (34.64689s) stopped
T01 >> 1462349112.10302997 Hartree integrate/restrict (34.64693s) started
T01 << 1462349112.16750407 Hartree integrate/restrict (34.71141s) stopped
T01 >> 1462349112.19103909 Atomic (2703.03078s) started
T01 >> 1462349112.20159292 XC Correction (2697.49214s) started
T01 << 1462349118.60245800 XC Correction (2703.89301s) stopped
T01 << 1462349118.60565305 Atomic (2709.44539s) stopped
T01 >> 1462349118.60580707 Communicate (2049.49718s) started
T01 << 1462349123.54779506 Communicate (2054.43917s) stopped
T01 << 1462349123.54783106 Hamiltonian (10109.49841s) stopped
T01 >> 1462349123.54795289 LCAO eigensolver (3628.52990s) started
T01 >> 1462349123.54796696 Potential matrix (116.22246s) started
T01 << 1462349123.81079888 Potential matrix (116.48529s) stopped
T01 >> 1462349123.81087494 DistributedAtomicCorrection (602.40558s) started
T01 << 1462349125.18601704 DistributedAtomicCorrection (603.78072s) stopped
T01 >> 1462349125.18610096 Distribute overlap matrix (521.54815s) started
T01 >> 1462349125.18612289 blocked summation (494.38993s) started
T01 << 1462349126.27989411 blocked summation (495.48370s) stopped
T01 >> 1462349126.28162193 Scalapack redistribute (26.46277s) started
T01 << 1462349126.34032607 Scalapack redistribute (26.52148s) stopped
T01 << 1462349126.34040403 Distribute overlap matrix (522.70246s) stopped
T01 >> 1462349126.34099293 Blacs Orbital Layouts (1244.69772s) started
T01 >> 1462349126.34214306 General diagonalize (1219.92060s) started
T01 << 1462349129.06730103 General diagonalize (1222.64576s) stopped
T01 >> 1462349129.06734991 Redistribute coefs (1.33673s) started
T01 << 1462349129.07105088 Redistribute coefs (1.34043s) stopped
T01 >> 1462349129.07109809 Send coefs to domains (22.75585s) started
T01 << 1462349129.12317801 Send coefs to domains (22.80793s) stopped
T01 << 1462349129.12347603 Blacs Orbital Layouts (1247.48020s) stopped
T01 >> 1462349129.12353110 Calculate projections (1143.27370s) started
T01 << 1462349131.64839911 Calculate projections (1145.79857s) stopped
T01 << 1462349131.64866495 LCAO eigensolver (3636.63061s) stopped
T01 >> 1462349131.64937091 Density (888.48694s) started
T01 >> 1462349131.64938402 Pseudo density (734.26310s) started
T01 >> 1462349131.64980102 Calculate density matrix (659.84132s) started
T01 << 1462349133.23198390 Calculate density matrix (661.42350s) stopped
T01 >> 1462349133.23206806 Construct density (73.38846s) started
T01 << 1462349133.40843391 Construct density (73.56483s) stopped
T01 >> 1462349133.41074300 Symmetrize density (0.01857s) started
T01 << 1462349133.41077590 Symmetrize density (0.01860s) stopped
T01 << 1462349133.41121793 Pseudo density (736.02494s) stopped
T01 >> 1462349133.41123796 Atomic density matrices (102.12737s) started
T01 << 1462349133.65357208 Atomic density matrices (102.36970s) stopped
T01 >> 1462349133.65361309 Multipole moments (1.65257s) started
T01 << 1462349133.65756202 Multipole moments (1.65652s) stopped
T01 >> 1462349133.65758491 Normalize (0.45557s) started
T01 << 1462349133.65871811 Normalize (0.45671s) stopped
T01 >> 1462349133.65875411 Mix (49.96009s) started
T01 << 1462349133.77988005 Mix (50.08122s) stopped
T01 << 1462349133.77996898 Density (890.61754s) stopped
T01 >> 1462349133.78007889 Hamiltonian (10109.49843s) started
T01 >> 1462349133.78010106 vbar (5.93930s) started
T01 << 1462349133.79431510 vbar (5.95352s) stopped
T01 >> 1462349133.79443693 XC 3D grid (4389.12174s) started
T01 >> 1462349133.97282004 van der Waals (4236.21420s) started
T01 >> 1462349134.01620007 semilocal (955.50954s) started
T01 << 1462349136.25089598 semilocal (957.74423s) stopped
T01 >> 1462349136.28288293 redistribute (466.85988s) started
T01 << 1462349136.66807294 redistribute (467.24507s) stopped
T01 >> 1462349136.66814089 libvdwxc nonlocal (2781.48127s) started
T01 << 1462349143.25745606 libvdwxc nonlocal (2788.07058s) stopped
T01 >> 1462349143.25753808 redistribute (467.24511s) started
T01 << 1462349143.90949702 redistribute (467.89707s) stopped
T01 << 1462349143.91044593 van der Waals (4246.15183s) stopped
T01 << 1462349144.09070706 XC 3D grid (4399.41801s) stopped
T01 >> 1462349144.09075403 Poisson (906.72196s) started
T01 << 1462349145.87739396 Poisson (908.50860s) stopped
T01 >> 1462349145.87749410 Hartree integrate/restrict (34.71144s) started
T01 << 1462349145.89462090 Hartree integrate/restrict (34.72857s) stopped
T01 >> 1462349145.89468288 Hartree integrate/restrict (34.72861s) started
T01 << 1462349145.95718908 Hartree integrate/restrict (34.79112s) stopped
T01 >> 1462349145.98059893 Atomic (2709.44542s) started
T01 >> 1462349145.99111199 XC Correction (2703.89303s) started
T01 << 1462349152.38269401 XC Correction (2710.28461s) stopped
T01 << 1462349152.38591599 Atomic (2715.85073s) stopped
T01 >> 1462349152.38606906 Communicate (2054.43919s) started
T01 << 1462349157.36013603 Communicate (2059.41326s) stopped
T01 << 1462349157.36017299 Hamiltonian (10133.07852s) stopped
T01 >> 1462349157.36029410 LCAO eigensolver (3636.63063s) started
T01 >> 1462349157.36030793 Potential matrix (116.48533s) started
T01 << 1462349157.62081003 Potential matrix (116.74583s) stopped
T01 >> 1462349157.62088704 DistributedAtomicCorrection (603.78076s) started
T01 << 1462349158.98021793 DistributedAtomicCorrection (605.14009s) stopped
T01 >> 1462349158.98030305 Distribute overlap matrix (522.70247s) started
T01 >> 1462349158.98032594 blocked summation (495.48374s) started
T01 << 1462349160.09426308 blocked summation (496.59768s) stopped
T01 >> 1462349160.09594297 Scalapack redistribute (26.52151s) started
T01 << 1462349160.15543389 Scalapack redistribute (26.58100s) stopped
T01 << 1462349160.15551209 Distribute overlap matrix (523.87768s) stopped
T01 >> 1462349160.15611506 Blacs Orbital Layouts (1247.48022s) started
T01 >> 1462349160.15725899 General diagonalize (1222.64580s) started
T01 << 1462349162.86692095 General diagonalize (1225.35546s) stopped
T01 >> 1462349162.86697197 Redistribute coefs (1.34047s) started
T01 << 1462349162.86976790 Redistribute coefs (1.34326s) stopped
T01 >> 1462349162.86981511 Send coefs to domains (22.80798s) started
T01 << 1462349162.92428899 Send coefs to domains (22.86245s) stopped
T01 << 1462349162.92455912 Blacs Orbital Layouts (1250.24867s) stopped
T01 >> 1462349162.92461395 Calculate projections (1145.79862s) started
T01 << 1462349165.44936299 Calculate projections (1148.32337s) stopped
T01 << 1462349165.44962811 LCAO eigensolver (3644.71996s) stopped
T01 >> 1462349165.45033789 Density (890.61756s) started
T01 >> 1462349165.45035100 Pseudo density (736.02495s) started
T01 >> 1462349165.45076704 Calculate density matrix (661.42355s) started
T01 << 1462349167.02740192 Calculate density matrix (663.00018s) stopped
T01 >> 1462349167.02748895 Construct density (73.56486s) started
T01 << 1462349167.20396805 Construct density (73.74134s) stopped
T01 >> 1462349167.20540810 Symmetrize density (0.01861s) started
T01 << 1462349167.20544195 Symmetrize density (0.01865s) stopped
T01 << 1462349167.20589590 Pseudo density (737.78050s) stopped
T01 >> 1462349167.20591593 Atomic density matrices (102.36973s) started
T01 << 1462349167.44872904 Atomic density matrices (102.61254s) stopped
T01 >> 1462349167.44877005 Multipole moments (1.65654s) started
T01 << 1462349167.45275998 Multipole moments (1.66053s) stopped
T01 >> 1462349167.45278192 Normalize (0.45673s) started
T01 << 1462349167.45390391 Normalize (0.45785s) stopped
T01 >> 1462349167.45393896 Mix (50.08130s) started
T01 << 1462349167.57414699 Mix (50.20151s) stopped
T01 << 1462349167.57424688 Density (892.74147s) stopped
T01 >> 1462349167.57434511 Hamiltonian (10133.07853s) started
T01 >> 1462349167.57436609 vbar (5.95359s) started
T01 << 1462349167.58920288 vbar (5.96843s) stopped
T01 >> 1462349167.58928204 XC 3D grid (4399.41804s) started
T01 >> 1462349167.76633692 van der Waals (4246.15185s) started
T01 >> 1462349167.81018591 semilocal (957.74431s) started
T01 << 1462349170.01106191 semilocal (959.94518s) stopped
T01 >> 1462349170.04588008 redistribute (467.89712s) started
T01 << 1462349170.44762492 redistribute (468.29887s) stopped
T01 >> 1462349170.44769502 libvdwxc nonlocal (2788.07064s) started
T01 << 1462349177.02957296 libvdwxc nonlocal (2794.65252s) stopped
T01 >> 1462349177.02963305 redistribute (468.29891s) started
T01 << 1462349177.68241096 redistribute (468.95168s) stopped
T01 << 1462349177.68337798 van der Waals (4256.06890s) stopped
T01 << 1462349177.86293793 XC 3D grid (4409.69170s) stopped
T01 >> 1462349177.86300397 Poisson (908.50868s) started
T01 << 1462349179.06850600 Poisson (909.71418s) stopped
T01 >> 1462349179.06858802 Hartree integrate/restrict (34.79118s) started
T01 << 1462349179.08550310 Hartree integrate/restrict (34.80810s) stopped
T01 >> 1462349179.08562207 Hartree integrate/restrict (34.80818s) started
T01 << 1462349179.15477204 Hartree integrate/restrict (34.87733s) stopped
T01 >> 1462349179.17200494 Atomic (2715.85075s) started
T01 >> 1462349179.18243599 XC Correction (2710.28467s) started
T01 << 1462349185.56007910 XC Correction (2716.66231s) stopped
T01 << 1462349185.56325507 Atomic (2722.24200s) stopped
T01 >> 1462349185.56340504 Communicate (2059.41329s) started
T01 << 1462349190.56837392 Communicate (2064.41826s) stopped
T01 << 1462349190.56840801 Hamiltonian (10156.07260s) stopped
T01 >> 1462349190.56852889 LCAO eigensolver (3644.71998s) started
T01 >> 1462349190.56854296 Potential matrix (116.74587s) started
T01 << 1462349190.83102202 Potential matrix (117.00835s) stopped
T01 >> 1462349190.83109903 DistributedAtomicCorrection (605.14012s) started
T01 << 1462349192.19180393 DistributedAtomicCorrection (606.50083s) stopped
T01 >> 1462349192.19188905 Distribute overlap matrix (523.87769s) started
T01 >> 1462349192.19191098 blocked summation (496.59771s) started
T01 << 1462349193.34253812 blocked summation (497.74834s) stopped
T01 >> 1462349193.34458303 Scalapack redistribute (26.58104s) started
T01 << 1462349193.40427303 Scalapack redistribute (26.64073s) stopped
T01 << 1462349193.40435004 Distribute overlap matrix (525.09015s) stopped
T01 >> 1462349193.40495706 Blacs Orbital Layouts (1250.24868s) started
T01 >> 1462349193.40610790 General diagonalize (1225.35550s) started
T01 << 1462349196.10399795 General diagonalize (1228.05339s) stopped
T01 >> 1462349196.10406303 Redistribute coefs (1.34330s) started
T01 << 1462349196.10676193 Redistribute coefs (1.34600s) stopped
T01 >> 1462349196.10680890 Send coefs to domains (22.86249s) started
T01 << 1462349196.16050601 Send coefs to domains (22.91619s) stopped
T01 << 1462349196.16077900 Blacs Orbital Layouts (1253.00451s) stopped
T01 >> 1462349196.16083288 Calculate projections (1148.32341s) started
T01 << 1462349198.68581009 Calculate projections (1150.84839s) stopped
T01 << 1462349198.68607402 LCAO eigensolver (3652.83753s) stopped
T01 << 1462349198.68675494 SCF-cycle (14702.02894s) stopped
T01 >> 1462349199.56699109 Force calculation (723.62983s) started
T01 >> 1462349199.56704807 LCAO forces (455.86260s) started
T01 >> 1462349199.56739593 Initial (0.00056s) started
T01 << 1462349199.56740689 Initial (0.00057s) stopped
T01 >> 1462349199.57164598 Get density matrix (88.51460s) started
T01 << 1462349200.17069793 Get density matrix (89.11365s) stopped
T01 >> 1462349200.17076492 Potential (32.65032s) started
T01 << 1462349201.56460500 Potential (34.04416s) stopped
T01 >> 1462349201.56467390 Get density matrix (89.11369s) started
T01 << 1462349204.83285499 Get density matrix (92.38187s) stopped
T01 >> 1462349204.83298206 Prepare TCI loop (45.53622s) started
T01 >> 1462349204.83345795 Get neighbors (41.08083s) started
T01 << 1462349206.63145709 Get neighbors (42.87882s) stopped
T01 >> 1462349206.63167906 broadcast dH (4.43914s) started
T01 << 1462349206.73204398 broadcast dH (4.53950s) stopped
T01 << 1462349206.73209000 Prepare TCI loop (47.43533s) stopped
T01 >> 1462349206.73210812 Not so complicated loop (64.06597s) started
T01 << 1462349209.54636407 Not so complicated loop (66.88022s) stopped
T01 >> 1462349209.67454290 Complicated loop (221.92367s) started
T01 << 1462349219.15423799 Complicated loop (231.40337s) stopped
T01 >> 1462349219.17433190 Wait for sum (0.00132s) started
T01 << 1462349219.17438006 Wait for sum (0.00137s) stopped
T01 << 1462349219.17439294 LCAO forces (475.46994s) stopped
T01 << 1462349231.67105508 Force calculation (755.73389s) stopped
T01 >> 1462349231.68882895 Initialization (1245.78818s) started
T01 << 1462349231.68902111 Initialization (1245.78837s) stopped
T01 >> 1462349231.68925095 Initialization (1245.78839s) started
T01 << 1462349231.68938088 Initialization (1245.78852s) stopped
T01 >> 1462349231.68951297 Initialization (1245.78854s) started
T01 << 1462349231.68964100 Initialization (1245.78866s) stopped
T01 >> 1462349252.05502391 Initialization (1245.78868s) started
T01 >> 1462349252.10744309 Basic WFS set positions (2.39569s) started
T01 >> 1462349252.10746503 Redistribute (0.03846s) started
T01 << 1462349252.10759807 Redistribute (0.03859s) stopped
T01 << 1462349252.20615792 Basic WFS set positions (2.49440s) stopped
T01 >> 1462349252.20619297 Basis functions set positions (10.38701s) started
T01 << 1462349252.61156297 Basis functions set positions (10.79238s) stopped
T01 >> 1462349252.61228991 TCI: Calculate S, T, P (373.10223s) started
T01 << 1462349267.82621408 TCI: Calculate S, T, P (388.31616s) stopped
T01 >> 1462349267.82632399 blocked summation (98.19151s) started
T01 << 1462349271.72373009 blocked summation (102.08892s) stopped
T01 >> 1462349271.72568798 Scalapack redistribute (5.68806s) started
T01 << 1462349271.78410912 Scalapack redistribute (5.74648s) stopped
T01 >> 1462349271.78446007 blocked summation (102.08896s) started
T01 << 1462349271.96183896 blocked summation (102.26634s) stopped
T01 >> 1462349271.96382189 Scalapack redistribute (5.74655s) started
T01 << 1462349272.16508889 Scalapack redistribute (5.94781s) stopped
T01 >> 1462349272.16657901 Redistribute (0.04875s) started
T01 << 1462349272.16756797 Redistribute (0.04974s) stopped
T01 >> 1462349273.07041001 Redistribute (0.04976s) started
T01 << 1462349273.07149100 Redistribute (0.05084s) stopped
T01 >> 1462349273.08068895 LCAO WFS Initialize (729.35714s) started
T01 >> 1462349273.08071804 Density initialize from wavefunctions (29.05474s) started
T01 >> 1462349273.08112192 Calculate density matrix (16.89140s) started
T01 << 1462349273.79562593 Calculate density matrix (17.60590s) stopped
T01 >> 1462349273.79570103 Construct density (4.12483s) started
T01 << 1462349273.97173691 Construct density (4.30087s) stopped
T01 >> 1462349273.97337008 Symmetrize density (0.00102s) started
T01 << 1462349273.97340202 Symmetrize density (0.00105s) stopped
T01 << 1462349274.31071091 Density initialize from wavefunctions (30.28473s) stopped
T01 >> 1462349274.31131506 Hamiltonian (700.09317s) started
T01 >> 1462349274.31135011 vbar (0.35597s) started
T01 << 1462349274.32681608 vbar (0.37143s) stopped
T01 >> 1462349274.32689691 XC 3D grid (256.12402s) started
T01 >> 1462349274.50648999 van der Waals (247.21802s) started
T01 >> 1462349274.55016494 semilocal (55.45644s) started
T01 << 1462349276.75821590 semilocal (57.66449s) stopped
T01 >> 1462349276.78962588 redistribute (26.99606s) started
T01 << 1462349277.18424797 redistribute (27.39068s) stopped
T01 >> 1462349277.18431592 libvdwxc nonlocal (162.88108s) started
T01 << 1462349283.79088593 libvdwxc nonlocal (169.48765s) stopped
T01 >> 1462349283.79095507 redistribute (27.39071s) started
T01 << 1462349284.43509293 redistribute (28.03485s) stopped
T01 << 1462349284.43621492 van der Waals (257.14775s) stopped
T01 << 1462349284.61690092 XC 3D grid (266.41402s) stopped
T01 >> 1462349284.61694598 Poisson (118.98630s) started
T01 << 1462349289.29154706 Poisson (123.66090s) stopped
T01 >> 1462349289.29163504 Hartree integrate/restrict (2.00628s) started
T01 << 1462349289.30861211 Hartree integrate/restrict (2.02325s) stopped
T01 >> 1462349289.30870199 Hartree integrate/restrict (2.02332s) started
T01 << 1462349289.37235594 Hartree integrate/restrict (2.08697s) stopped
T01 >> 1462349289.39167690 Atomic (167.04833s) started
T01 >> 1462349289.40243793 XC Correction (166.71744s) started
T01 << 1462349296.23371291 XC Correction (173.54872s) stopped
T01 << 1462349296.23689103 Atomic (173.89355s) stopped
T01 >> 1462349296.23715496 Communicate (155.02120s) started
T01 << 1462349302.53216004 Communicate (161.31621s) stopped
T01 << 1462349302.53219390 Hamiltonian (728.31405s) stopped
T01 << 1462349302.53230405 LCAO WFS Initialize (758.80875s) stopped
T01 << 1462349302.54476404 Initialization (1296.27842s) stopped
T01 >> 1462349302.56998110 SCF-cycle (14702.02896s) started
T01 >> 1462349302.57002306 LCAO eigensolver (3652.83755s) started
T01 >> 1462349302.57003498 Potential matrix (117.00839s) started
T01 << 1462349302.83012795 Potential matrix (117.26849s) stopped
T01 >> 1462349302.83020306 DistributedAtomicCorrection (606.50087s) started
T01 << 1462349304.18161893 DistributedAtomicCorrection (607.85228s) stopped
T01 >> 1462349304.18171191 Distribute overlap matrix (525.09017s) started
T01 >> 1462349304.18173504 blocked summation (497.74838s) started
T01 << 1462349305.30198312 blocked summation (498.86863s) stopped
T01 >> 1462349305.30355000 Scalapack redistribute (26.64077s) started
T01 << 1462349305.36204195 Scalapack redistribute (26.69926s) stopped
T01 << 1462349305.36212707 Distribute overlap matrix (526.27058s) stopped
T01 >> 1462349305.36270094 Blacs Orbital Layouts (1253.00452s) started
T01 >> 1462349305.36388302 General diagonalize (1228.05343s) started
T01 << 1462349308.09179211 General diagonalize (1230.78134s) stopped
T01 >> 1462349308.09184289 Redistribute coefs (1.34604s) started
T01 << 1462349308.09472108 Redistribute coefs (1.34891s) stopped
T01 >> 1462349308.09476495 Send coefs to domains (22.91623s) started
T01 << 1462349308.14778209 Send coefs to domains (22.96925s) stopped
T01 << 1462349308.14783597 Blacs Orbital Layouts (1255.78966s) stopped
T01 >> 1462349308.14786410 Calculate projections (1150.84844s) started
T01 << 1462349310.67303991 Calculate projections (1153.37362s) stopped
T01 << 1462349310.67311311 LCAO eigensolver (3660.94064s) stopped
T01 >> 1462349310.67374396 Density (892.74148s) started
T01 >> 1462349310.67375708 Pseudo density (737.78051s) started
T01 >> 1462349310.67417598 Calculate density matrix (663.00023s) started
T01 << 1462349312.24102592 Calculate density matrix (664.56708s) stopped
T01 >> 1462349312.24110007 Construct density (73.74138s) started
T01 << 1462349312.41744995 Construct density (73.91773s) stopped
T01 >> 1462349312.41888690 Symmetrize density (0.01866s) started
T01 << 1462349312.41892004 Symmetrize density (0.01869s) stopped
T01 << 1462349312.41935205 Pseudo density (739.52611s) stopped
T01 >> 1462349312.41937208 Atomic density matrices (102.61257s) started
T01 << 1462349312.66254807 Atomic density matrices (102.85575s) stopped
T01 >> 1462349312.66258907 Multipole moments (1.66054s) started
T01 << 1462349312.66653109 Multipole moments (1.66449s) stopped
T01 >> 1462349312.66655397 Normalize (0.45788s) started
T01 << 1462349312.66762090 Normalize (0.45895s) stopped
T01 >> 1462349312.66765690 Mix (50.20161s) started
T01 << 1462349312.77257991 Mix (50.30653s) stopped
T01 << 1462349312.77265191 Density (894.84039s) stopped
T01 >> 1462349312.77274895 Hamiltonian (10156.07261s) started
T01 >> 1462349312.77276802 vbar (5.96847s) started
T01 << 1462349312.78819489 vbar (5.98390s) stopped
T01 >> 1462349312.78828907 XC 3D grid (4409.69175s) started
T01 >> 1462349312.96949792 van der Waals (4256.06894s) started
T01 >> 1462349313.01293707 semilocal (959.94528s) started
T01 << 1462349315.25508595 semilocal (962.18742s) stopped
T01 >> 1462349315.28612709 redistribute (468.95173s) started
T01 << 1462349315.66030908 redistribute (469.32591s) stopped
T01 >> 1462349315.66037607 libvdwxc nonlocal (2794.65255s) started
T01 << 1462349322.24979305 libvdwxc nonlocal (2801.24197s) stopped
T01 >> 1462349322.24984598 redistribute (469.32595s) started
T01 << 1462349322.90127206 redistribute (469.97738s) stopped
T01 << 1462349322.90258694 van der Waals (4266.00202s) stopped
T01 << 1462349323.08319902 XC 3D grid (4419.98666s) stopped
T01 >> 1462349323.08327103 Poisson (909.71424s) started
T01 << 1462349325.44686794 Poisson (912.07784s) stopped
T01 >> 1462349325.44699001 Hartree integrate/restrict (34.87736s) started
T01 << 1462349325.46391201 Hartree integrate/restrict (34.89428s) stopped
T01 >> 1462349325.46403193 Hartree integrate/restrict (34.89436s) started
T01 << 1462349325.52839589 Hartree integrate/restrict (34.95873s) stopped
T01 >> 1462349325.55227208 Atomic (2722.24202s) started
T01 >> 1462349325.56266499 XC Correction (2716.66234s) started
T01 << 1462349332.40516305 XC Correction (2723.50484s) stopped
T01 << 1462349332.40828800 Atomic (2729.09803s) stopped
T01 >> 1462349332.40844297 Communicate (2064.41828s) started
T01 << 1462349338.20428896 Communicate (2070.21412s) stopped
T01 << 1462349338.20434594 Hamiltonian (10181.50421s) stopped
T01 >> 1462349338.20446491 LCAO eigensolver (3660.94065s) started
T01 >> 1462349338.20447898 Potential matrix (117.26853s) started
T01 << 1462349338.46569300 Potential matrix (117.52974s) stopped
T01 >> 1462349338.46576905 DistributedAtomicCorrection (607.85232s) started
T01 << 1462349339.82388592 DistributedAtomicCorrection (609.21044s) stopped
T01 >> 1462349339.82397294 Distribute overlap matrix (526.27059s) started
T01 >> 1462349339.82399607 blocked summation (498.86867s) started
T01 << 1462349340.93391109 blocked summation (499.97859s) stopped
T01 >> 1462349340.93550205 Scalapack redistribute (26.69930s) started
T01 << 1462349340.99605298 Scalapack redistribute (26.75985s) stopped
T01 << 1462349340.99613595 Distribute overlap matrix (527.44276s) stopped
T01 >> 1462349340.99672103 Blacs Orbital Layouts (1255.78967s) started
T01 >> 1462349340.99792290 General diagonalize (1230.78138s) started
T01 << 1462349343.70981002 General diagonalize (1233.49326s) stopped
T01 >> 1462349343.70987511 Redistribute coefs (1.34895s) started
T01 << 1462349343.71262598 Redistribute coefs (1.35170s) stopped
T01 >> 1462349343.71270990 Send coefs to domains (22.96929s) started
T01 << 1462349343.76615095 Send coefs to domains (23.02273s) stopped
T01 << 1462349343.76620793 Blacs Orbital Layouts (1258.55916s) stopped
T01 >> 1462349343.76626396 Calculate projections (1153.37366s) started
T01 << 1462349346.29154110 Calculate projections (1155.89894s) stopped
T01 << 1462349346.29161501 LCAO eigensolver (3669.02780s) stopped
T01 >> 1462349346.29226589 Density (894.84041s) started
T01 >> 1462349346.29227901 Pseudo density (739.52612s) started
T01 >> 1462349346.29270506 Calculate density matrix (664.56713s) started
T01 << 1462349347.86439610 Calculate density matrix (666.13882s) stopped
T01 >> 1462349347.86451101 Construct density (73.91777s) started
T01 << 1462349348.04152894 Construct density (74.09478s) stopped
T01 >> 1462349348.04294801 Symmetrize density (0.01871s) started
T01 << 1462349348.04298210 Symmetrize density (0.01874s) stopped
T01 << 1462349348.04341102 Pseudo density (741.27725s) stopped
T01 >> 1462349348.04343104 Atomic density matrices (102.85578s) started
T01 << 1462349348.28528094 Atomic density matrices (103.09763s) stopped
T01 >> 1462349348.28532195 Multipole moments (1.66450s) started
T01 << 1462349348.28925610 Multipole moments (1.66844s) stopped
T01 >> 1462349348.28927898 Normalize (0.45897s) started
T01 << 1462349348.29034209 Normalize (0.46003s) stopped
T01 >> 1462349348.29037690 Mix (50.30660s) started
T01 << 1462349348.39809990 Mix (50.41432s) stopped
T01 << 1462349348.39819908 Density (896.94635s) stopped
T01 >> 1462349348.39828205 Hamiltonian (10181.50422s) started
T01 >> 1462349348.39829993 vbar (5.98395s) started
T01 << 1462349348.41393709 vbar (5.99959s) stopped
T01 >> 1462349348.41404891 XC 3D grid (4419.98672s) started
T01 >> 1462349348.59034109 van der Waals (4266.00206s) started
T01 >> 1462349348.63523698 semilocal (962.18752s) started
T01 << 1462349350.86363101 semilocal (964.41591s) stopped
T01 >> 1462349350.89603305 redistribute (469.97742s) started
T01 << 1462349351.28265595 redistribute (470.36404s) stopped
T01 >> 1462349351.28272605 libvdwxc nonlocal (2801.24201s) started
T01 << 1462349357.84452295 libvdwxc nonlocal (2807.80381s) stopped
T01 >> 1462349357.84458208 redistribute (470.36408s) started
T01 << 1462349358.49292994 redistribute (471.01243s) stopped
T01 << 1462349358.49419808 van der Waals (4275.90592s) stopped
T01 << 1462349358.67596197 XC 3D grid (4430.24863s) stopped
T01 >> 1462349358.67600894 Poisson (912.07793s) started
T01 << 1462349360.46271610 Poisson (913.86464s) stopped
T01 >> 1462349360.46282601 Hartree integrate/restrict (34.95876s) started
T01 << 1462349360.47982192 Hartree integrate/restrict (34.97576s) stopped
T01 >> 1462349360.47994900 Hartree integrate/restrict (34.97585s) started
T01 << 1462349360.54435992 Hartree integrate/restrict (35.04026s) stopped
T01 >> 1462349360.56799889 Atomic (2729.09805s) started
T01 >> 1462349360.57831311 XC Correction (2723.50486s) started
T01 << 1462349367.12766910 XC Correction (2730.05422s) stopped
T01 << 1462349367.13077998 Atomic (2735.66083s) stopped
T01 >> 1462349367.13092899 Communicate (2070.21417s) started
T01 << 1462349372.55840993 Communicate (2075.64165s) stopped
T01 << 1462349372.55844402 Hamiltonian (10205.66438s) stopped
T01 >> 1462349372.55856490 LCAO eigensolver (3669.02781s) started
T01 >> 1462349372.55857897 Potential matrix (117.52979s) started
T01 << 1462349372.82002497 Potential matrix (117.79123s) stopped
T01 >> 1462349372.82010198 DistributedAtomicCorrection (609.21048s) started
T01 << 1462349374.17852902 DistributedAtomicCorrection (610.56890s) stopped
T01 >> 1462349374.17861605 Distribute overlap matrix (527.44277s) started
T01 >> 1462349374.17863894 blocked summation (499.97863s) started
T01 << 1462349375.28472710 blocked summation (501.08471s) stopped
T01 >> 1462349375.28626895 Scalapack redistribute (26.75988s) started
T01 << 1462349375.34692407 Scalapack redistribute (26.82054s) stopped
T01 << 1462349375.34700608 Distribute overlap matrix (528.61116s) stopped
T01 >> 1462349375.34757209 Blacs Orbital Layouts (1258.55917s) started
T01 >> 1462349375.34875798 General diagonalize (1233.49330s) started
T01 << 1462349378.06749296 General diagonalize (1236.21204s) stopped
T01 >> 1462349378.06755900 Redistribute coefs (1.35173s) started
T01 << 1462349378.07027698 Redistribute coefs (1.35445s) stopped
T01 >> 1462349378.07035804 Send coefs to domains (23.02278s) started
T01 << 1462349378.12462711 Send coefs to domains (23.07705s) stopped
T01 << 1462349378.12468696 Blacs Orbital Layouts (1261.33628s) stopped
T01 >> 1462349378.12474108 Calculate projections (1155.89899s) started
T01 << 1462349380.65004206 Calculate projections (1158.42429s) stopped
T01 << 1462349380.65011597 LCAO eigensolver (3677.11936s) stopped
T01 >> 1462349380.65080690 Density (896.94636s) started
T01 >> 1462349380.65081906 Pseudo density (741.27727s) started
T01 >> 1462349380.65124011 Calculate density matrix (666.13890s) started
T01 << 1462349382.23351693 Calculate density matrix (667.72118s) stopped
T01 >> 1462349382.23360205 Construct density (74.09482s) started
T01 << 1462349382.40950704 Construct density (74.27072s) stopped
T01 >> 1462349382.41092896 Symmetrize density (0.01875s) started
T01 << 1462349382.41096210 Symmetrize density (0.01878s) stopped
T01 << 1462349382.41139007 Pseudo density (743.03784s) stopped
T01 >> 1462349382.41140890 Atomic density matrices (103.09766s) started
T01 << 1462349382.65462899 Atomic density matrices (103.34088s) stopped
T01 >> 1462349382.65467191 Multipole moments (1.66845s) started
T01 << 1462349382.65862393 Multipole moments (1.67240s) stopped
T01 >> 1462349382.65864706 Normalize (0.46006s) started
T01 << 1462349382.65972590 Normalize (0.46114s) stopped
T01 >> 1462349382.65976000 Mix (50.41442s) started
T01 << 1462349382.77094603 Mix (50.52561s) stopped
T01 << 1462349382.77100396 Density (899.06656s) stopped
T01 >> 1462349382.77109003 Hamiltonian (10205.66440s) started
T01 >> 1462349382.77110910 vbar (5.99966s) started
T01 << 1462349382.78665709 vbar (6.01521s) stopped
T01 >> 1462349382.78673100 XC 3D grid (4430.24867s) started
T01 >> 1462349382.96580911 van der Waals (4275.90597s) started
T01 >> 1462349383.01002312 semilocal (964.41599s) started
T01 << 1462349385.23490596 semilocal (966.64087s) stopped
T01 >> 1462349385.26861405 redistribute (471.01247s) started
T01 << 1462349385.66192508 redistribute (471.40578s) stopped
T01 >> 1462349385.66199303 libvdwxc nonlocal (2807.80385s) started
T01 << 1462349392.21816611 libvdwxc nonlocal (2814.36002s) stopped
T01 >> 1462349392.21823502 redistribute (471.40582s) started
T01 << 1462349392.86906505 redistribute (472.05665s) stopped
T01 << 1462349392.87007999 van der Waals (4285.81024s) stopped
T01 << 1462349393.05141211 XC 3D grid (4440.51335s) stopped
T01 >> 1462349393.05146194 Poisson (913.86473s) started
T01 << 1462349395.41962194 Poisson (916.23289s) stopped
T01 >> 1462349395.41972804 Hartree integrate/restrict (35.04030s) started
T01 << 1462349395.43687296 Hartree integrate/restrict (35.05744s) stopped
T01 >> 1462349395.43695498 Hartree integrate/restrict (35.05750s) started
T01 << 1462349395.49975705 Hartree integrate/restrict (35.12030s) stopped
T01 >> 1462349395.52462792 Atomic (2735.66085s) started
T01 >> 1462349395.53494811 XC Correction (2730.05425s) started
T01 << 1462349401.94221592 XC Correction (2736.46151s) stopped
T01 << 1462349401.94534707 Atomic (2742.08157s) stopped
T01 >> 1462349401.94550395 Communicate (2075.64167s) started
T01 << 1462349406.92855597 Communicate (2080.62472s) stopped
T01 << 1462349406.92859101 Hamiltonian (10229.82190s) stopped
T01 >> 1462349406.92871404 LCAO eigensolver (3677.11938s) started
T01 >> 1462349406.92872810 Potential matrix (117.79127s) started
T01 << 1462349407.19152904 Potential matrix (118.05407s) stopped
T01 >> 1462349407.19160604 DistributedAtomicCorrection (610.56894s) started
T01 << 1462349408.55310607 DistributedAtomicCorrection (611.93044s) stopped
T01 >> 1462349408.55319500 Distribute overlap matrix (528.61117s) started
T01 >> 1462349408.55321693 blocked summation (501.08475s) started
T01 << 1462349409.66720200 blocked summation (502.19874s) stopped
T01 >> 1462349409.66874909 Scalapack redistribute (26.82057s) started
T01 << 1462349409.72212100 Scalapack redistribute (26.87394s) stopped
T01 << 1462349409.72222400 Distribute overlap matrix (529.78020s) stopped
T01 >> 1462349409.72287107 Blacs Orbital Layouts (1261.33630s) started
T01 >> 1462349409.72420096 General diagonalize (1236.21208s) started
T01 << 1462349412.44464898 General diagonalize (1238.93253s) stopped
T01 >> 1462349412.44471693 Redistribute coefs (1.35449s) started
T01 << 1462349412.44748998 Redistribute coefs (1.35726s) stopped
T01 >> 1462349412.44757009 Send coefs to domains (23.07710s) started
T01 << 1462349412.50219607 Send coefs to domains (23.13172s) stopped
T01 << 1462349412.50224900 Blacs Orbital Layouts (1264.11567s) stopped
T01 >> 1462349412.50230193 Calculate projections (1158.42434s) started
T01 << 1462349415.02755308 Calculate projections (1160.94959s) stopped
T01 << 1462349415.02763009 LCAO eigensolver (3685.21829s) stopped
T01 >> 1462349415.02836490 Density (899.06657s) started
T01 >> 1462349415.02837801 Pseudo density (743.03785s) started
T01 >> 1462349415.02879810 Calculate density matrix (667.72122s) started
T01 << 1462349416.60337996 Calculate density matrix (669.29580s) stopped
T01 >> 1462349416.60347509 Construct density (74.27076s) started
T01 << 1462349416.77981901 Construct density (74.44710s) stopped
T01 >> 1462349416.78125811 Symmetrize density (0.01880s) started
T01 << 1462349416.78129196 Symmetrize density (0.01883s) stopped
T01 << 1462349416.78173304 Pseudo density (744.79121s) stopped
T01 >> 1462349416.78175306 Atomic density matrices (103.34090s) started
T01 << 1462349417.02415991 Atomic density matrices (103.58331s) stopped
T01 >> 1462349417.02420092 Multipole moments (1.67242s) started
T01 << 1462349417.02810788 Multipole moments (1.67633s) stopped
T01 >> 1462349417.02813101 Normalize (0.46116s) started
T01 << 1462349417.02919006 Normalize (0.46222s) stopped
T01 >> 1462349417.02922511 Mix (50.52566s) started
T01 << 1462349417.14362192 Mix (50.64006s) stopped
T01 << 1462349417.14367008 Density (901.18188s) stopped
T01 >> 1462349417.14375591 Hamiltonian (10229.82191s) started
T01 >> 1462349417.14377499 vbar (6.01525s) started
T01 << 1462349417.15958595 vbar (6.03106s) stopped
T01 >> 1462349417.15965390 XC 3D grid (4440.51339s) started
T01 >> 1462349417.33780289 van der Waals (4285.81028s) started
T01 >> 1462349417.38227296 semilocal (966.64094s) started
T01 << 1462349419.61893892 semilocal (968.87761s) stopped
T01 >> 1462349419.65059495 redistribute (472.05669s) started
T01 << 1462349420.02733898 redistribute (472.43343s) stopped
T01 >> 1462349420.02740788 libvdwxc nonlocal (2814.36007s) started
T01 << 1462349426.61872196 libvdwxc nonlocal (2820.95138s) stopped
T01 >> 1462349426.61878610 redistribute (472.43347s) started
T01 << 1462349427.26669407 redistribute (473.08138s) stopped
T01 << 1462349427.26800489 van der Waals (4295.74048s) stopped
T01 << 1462349427.44761395 XC 3D grid (4450.80135s) stopped
T01 >> 1462349427.44768000 Poisson (916.23297s) started
T01 << 1462349429.80705404 Poisson (918.59235s) stopped
T01 >> 1462349429.80717707 Hartree integrate/restrict (35.12034s) started
T01 << 1462349429.82411289 Hartree integrate/restrict (35.13728s) stopped
T01 >> 1462349429.82423210 Hartree integrate/restrict (35.13736s) started
T01 << 1462349429.89292789 Hartree integrate/restrict (35.20606s) stopped
T01 >> 1462349429.91214490 Atomic (2742.08158s) started
T01 >> 1462349429.92247391 XC Correction (2736.46154s) started
T01 << 1462349436.37457395 XC Correction (2742.91364s) stopped
T01 << 1462349436.37771010 Atomic (2748.54715s) stopped
T01 >> 1462349436.37786388 Communicate (2080.62475s) started
T01 << 1462349441.10976100 Communicate (2085.35665s) stopped
T01 << 1462349441.10979295 Hamiltonian (10253.78795s) stopped
T01 >> 1462349441.10991096 LCAO eigensolver (3685.21831s) started
T01 >> 1462349441.10992503 Potential matrix (118.05412s) started
T01 << 1462349441.37137604 Potential matrix (118.31557s) stopped
T01 >> 1462349441.37145305 DistributedAtomicCorrection (611.93048s) started
T01 << 1462349442.71794796 DistributedAtomicCorrection (613.27697s) stopped
T01 >> 1462349442.71803498 Distribute overlap matrix (529.78021s) started
T01 >> 1462349442.71805906 blocked summation (502.19878s) started
T01 << 1462349443.82353902 blocked summation (503.30426s) stopped
T01 >> 1462349443.82502103 Scalapack redistribute (26.87399s) started
T01 << 1462349443.88791800 Scalapack redistribute (26.93689s) stopped
T01 << 1462349443.88800406 Distribute overlap matrix (530.95018s) stopped
T01 >> 1462349443.88856411 Blacs Orbital Layouts (1264.11568s) started
T01 >> 1462349443.88987207 General diagonalize (1238.93257s) started
T01 << 1462349446.60288405 General diagonalize (1241.64558s) stopped
T01 >> 1462349446.60294700 Redistribute coefs (1.35729s) started
T01 << 1462349446.60659909 Redistribute coefs (1.36094s) stopped
T01 >> 1462349446.60664701 Send coefs to domains (23.13176s) started
T01 << 1462349446.65980411 Send coefs to domains (23.18492s) stopped
T01 << 1462349446.66011310 Blacs Orbital Layouts (1266.88723s) stopped
T01 >> 1462349446.66017604 Calculate projections (1160.94964s) started
T01 << 1462349449.18554807 Calculate projections (1163.47502s) stopped
T01 << 1462349449.18561912 LCAO eigensolver (3693.29401s) stopped
T01 >> 1462349449.18635511 Density (901.18189s) started
T01 >> 1462349449.18636799 Pseudo density (744.79122s) started
T01 >> 1462349449.18678689 Calculate density matrix (669.29584s) started
T01 << 1462349450.76304293 Calculate density matrix (670.87210s) stopped
T01 >> 1462349450.76317692 Construct density (74.44714s) started
T01 << 1462349450.94021606 Construct density (74.62418s) stopped
T01 >> 1462349450.94162202 Symmetrize density (0.01884s) started
T01 << 1462349450.94165492 Symmetrize density (0.01887s) stopped
T01 << 1462349450.94208908 Pseudo density (746.54694s) stopped
T01 >> 1462349450.94210792 Atomic density matrices (103.58334s) started
T01 << 1462349451.18555188 Atomic density matrices (103.82678s) stopped
T01 >> 1462349451.18559289 Multipole moments (1.67634s) started
T01 << 1462349451.18951702 Multipole moments (1.68027s) stopped
T01 >> 1462349451.18953991 Normalize (0.46225s) started
T01 << 1462349451.19060707 Normalize (0.46331s) stopped
T01 >> 1462349451.19064212 Mix (50.64011s) started
T01 << 1462349451.31006694 Mix (50.75953s) stopped
T01 << 1462349451.31012511 Density (903.30566s) stopped
T01 >> 1462349451.31021190 Hamiltonian (10253.78796s) started
T01 >> 1462349451.31023097 vbar (6.03110s) started
T01 << 1462349451.32572103 vbar (6.04659s) stopped
T01 >> 1462349451.32579398 XC 3D grid (4450.80140s) started
T01 >> 1462349451.50392509 van der Waals (4295.74052s) started
T01 >> 1462349451.54833102 semilocal (968.87768s) started
T01 << 1462349453.79218602 semilocal (971.12154s) stopped
T01 >> 1462349453.82429790 redistribute (473.08142s) started
T01 << 1462349454.19792509 redistribute (473.45505s) stopped
T01 >> 1462349454.19801497 libvdwxc nonlocal (2820.95142s) started
T01 << 1462349460.74549508 libvdwxc nonlocal (2827.49890s) stopped
T01 >> 1462349460.74556899 redistribute (473.45510s) started
T01 << 1462349461.39190292 redistribute (474.10144s) stopped
T01 << 1462349461.39306211 van der Waals (4305.62966s) stopped
T01 << 1462349461.57608604 XC 3D grid (4461.05169s) stopped
T01 >> 1462349461.57613611 Poisson (918.59244s) started
T01 << 1462349463.95474410 Poisson (920.97105s) stopped
T01 >> 1462349463.95482612 Hartree integrate/restrict (35.20610s) started
T01 << 1462349463.97189999 Hartree integrate/restrict (35.22318s) stopped
T01 >> 1462349463.97195292 Hartree integrate/restrict (35.22321s) started
T01 << 1462349464.03560996 Hartree integrate/restrict (35.28687s) stopped
T01 >> 1462349464.05798292 Atomic (2748.54716s) started
T01 >> 1462349464.06841111 XC Correction (2742.91366s) started
T01 << 1462349470.59748602 XC Correction (2749.44274s) stopped
T01 << 1462349470.60061407 Atomic (2755.08980s) stopped
T01 >> 1462349470.60077405 Communicate (2085.35667s) started
T01 << 1462349475.23523688 Communicate (2089.99113s) stopped
T01 << 1462349475.23527098 Hamiltonian (10277.71302s) stopped
T01 >> 1462349475.23538589 LCAO eigensolver (3693.29403s) started
T01 >> 1462349475.23540092 Potential matrix (118.31561s) started
T01 << 1462349475.49576497 Potential matrix (118.57597s) stopped
T01 >> 1462349475.49584198 DistributedAtomicCorrection (613.27701s) started
T01 << 1462349476.85557199 DistributedAtomicCorrection (614.63674s) stopped
T01 >> 1462349476.85566306 Distribute overlap matrix (530.95020s) started
T01 >> 1462349476.85568690 blocked summation (503.30430s) started
T01 << 1462349477.93258595 blocked summation (504.38120s) stopped
T01 >> 1462349477.93465495 Scalapack redistribute (26.93693s) started
T01 << 1462349477.99565792 Scalapack redistribute (26.99793s) stopped
T01 << 1462349477.99574399 Distribute overlap matrix (532.09028s) stopped
T01 >> 1462349477.99632812 Blacs Orbital Layouts (1266.88725s) started
T01 >> 1462349477.99748898 General diagonalize (1241.64562s) started
T01 << 1462349480.70488405 General diagonalize (1244.35301s) stopped
T01 >> 1462349480.70494890 Redistribute coefs (1.36098s) started
T01 << 1462349480.70765591 Redistribute coefs (1.36369s) stopped
T01 >> 1462349480.70775104 Send coefs to domains (23.18496s) started
T01 << 1462349480.76106906 Send coefs to domains (23.23828s) stopped
T01 << 1462349480.76136303 Blacs Orbital Layouts (1269.65229s) stopped
T01 >> 1462349480.76142502 Calculate projections (1163.47506s) started
T01 << 1462349483.28663206 Calculate projections (1166.00027s) stopped
T01 << 1462349483.28690290 LCAO eigensolver (3701.34554s) stopped
T01 >> 1462349483.28759909 Density (903.30568s) started
T01 >> 1462349483.28761196 Pseudo density (746.54696s) started
T01 >> 1462349483.28803396 Calculate density matrix (670.87218s) started
T01 << 1462349484.86466289 Calculate density matrix (672.44881s) stopped
T01 >> 1462349484.86475801 Construct density (74.62421s) started
T01 << 1462349485.04066300 Construct density (74.80012s) stopped
T01 >> 1462349485.04208899 Symmetrize density (0.01889s) started
T01 << 1462349485.04212093 Symmetrize density (0.01892s) stopped
T01 << 1462349485.04255199 Pseudo density (748.30190s) stopped
T01 >> 1462349485.04257202 Atomic density matrices (103.82681s) started
T01 << 1462349485.28559804 Atomic density matrices (104.06984s) stopped
T01 >> 1462349485.28563905 Multipole moments (1.68028s) started
T01 << 1462349485.28954101 Multipole moments (1.68418s) stopped
T01 >> 1462349485.28956389 Normalize (0.46334s) started
T01 << 1462349485.29062605 Normalize (0.46440s) stopped
T01 >> 1462349485.29066610 Mix (50.75959s) started
T01 << 1462349485.40972710 Mix (50.87865s) stopped
T01 << 1462349485.40977502 Density (905.42785s) stopped
T01 >> 1462349485.40985608 Hamiltonian (10277.71303s) started
T01 >> 1462349485.40987396 vbar (6.04663s) started
T01 << 1462349485.42561293 vbar (6.06237s) stopped
T01 >> 1462349485.42568588 XC 3D grid (4461.05173s) started
T01 >> 1462349485.60567307 van der Waals (4305.62970s) started
T01 >> 1462349485.65040803 semilocal (971.12159s) started
T01 << 1462349487.87729192 semilocal (973.34848s) stopped
T01 >> 1462349487.90887094 redistribute (474.10148s) started
T01 << 1462349488.29193091 redistribute (474.48454s) stopped
T01 >> 1462349488.29200006 libvdwxc nonlocal (2827.49895s) started
T01 << 1462349494.84877992 libvdwxc nonlocal (2834.05573s) stopped
T01 >> 1462349494.84885502 redistribute (474.48458s) started
T01 << 1462349495.50004005 redistribute (475.13576s) stopped
T01 << 1462349495.50096703 van der Waals (4315.52499s) stopped
T01 << 1462349495.68292594 XC 3D grid (4471.30897s) stopped
T01 >> 1462349495.68297601 Poisson (920.97111s) started
T01 << 1462349498.04604506 Poisson (923.33418s) stopped
T01 >> 1462349498.04615593 Hartree integrate/restrict (35.28690s) started
T01 << 1462349498.06327391 Hartree integrate/restrict (35.30402s) stopped
T01 >> 1462349498.06335211 Hartree integrate/restrict (35.30408s) started
T01 << 1462349498.13220501 Hartree integrate/restrict (35.37293s) stopped
T01 >> 1462349498.15100098 Atomic (2755.08981s) started
T01 >> 1462349498.16169596 XC Correction (2749.44276s) started
T01 << 1462349504.65400195 XC Correction (2755.93507s) stopped
T01 << 1462349504.65715289 Atomic (2761.59596s) stopped
T01 >> 1462349504.65730691 Communicate (2089.99115s) started
T01 << 1462349509.46502995 Communicate (2094.79888s) stopped
T01 << 1462349509.46506405 Hamiltonian (10301.76824s) stopped
T01 >> 1462349509.46518493 LCAO eigensolver (3701.34556s) started
T01 >> 1462349509.46519899 Potential matrix (118.57601s) started
T01 << 1462349509.72972107 Potential matrix (118.84054s) stopped
T01 >> 1462349509.72979808 DistributedAtomicCorrection (614.63678s) started
T01 << 1462349511.09923005 DistributedAtomicCorrection (616.00621s) stopped
T01 >> 1462349511.09931803 Distribute overlap matrix (532.09029s) started
T01 >> 1462349511.09934092 blocked summation (504.38124s) started
T01 << 1462349512.19268894 blocked summation (505.47459s) stopped
T01 >> 1462349512.19522905 Scalapack redistribute (26.99797s) started
T01 << 1462349512.25253701 Scalapack redistribute (27.05528s) stopped
T01 << 1462349512.25262094 Distribute overlap matrix (533.24359s) stopped
T01 >> 1462349512.25323105 Blacs Orbital Layouts (1269.65231s) started
T01 >> 1462349512.25438309 General diagonalize (1244.35305s) started
T01 << 1462349514.97377300 General diagonalize (1247.07244s) stopped
T01 >> 1462349514.97383809 Redistribute coefs (1.36373s) started
T01 << 1462349514.97661209 Redistribute coefs (1.36650s) stopped
T01 >> 1462349514.97666502 Send coefs to domains (23.23832s) started
T01 << 1462349515.02962494 Send coefs to domains (23.29128s) stopped
T01 << 1462349515.02992606 Blacs Orbital Layouts (1272.42900s) stopped
T01 >> 1462349515.02999091 Calculate projections (1166.00032s) started
T01 << 1462349517.55535507 Calculate projections (1168.52569s) stopped
T01 << 1462349517.55577898 LCAO eigensolver (3709.43616s) stopped
T01 >> 1462349517.55647302 Density (905.42787s) started
T01 >> 1462349517.55648589 Pseudo density (748.30191s) started
T01 >> 1462349517.55690908 Calculate density matrix (672.44885s) started
T01 << 1462349519.13432908 Calculate density matrix (674.02627s) stopped
T01 >> 1462349519.13442612 Construct density (74.80016s) started
T01 << 1462349519.31074309 Construct density (74.97647s) stopped
T01 >> 1462349519.31215501 Symmetrize density (0.01893s) started
T01 << 1462349519.31218910 Symmetrize density (0.01897s) stopped
T01 << 1462349519.31261802 Pseudo density (750.05804s) stopped
T01 >> 1462349519.31263804 Atomic density matrices (104.06987s) started
T01 << 1462349519.55614495 Atomic density matrices (104.31337s) stopped
T01 >> 1462349519.55618691 Multipole moments (1.68420s) started
T01 << 1462349519.56009698 Multipole moments (1.68811s) stopped
T01 >> 1462349519.56012011 Normalize (0.46443s) started
T01 << 1462349519.56117511 Normalize (0.46548s) stopped
T01 >> 1462349519.56120992 Mix (50.87869s) started
T01 << 1462349519.68033195 Mix (50.99781s) stopped
T01 << 1462349519.68047810 Density (907.55187s) stopped
T01 >> 1462349519.68055797 Hamiltonian (10301.76825s) started
T01 >> 1462349519.68057489 vbar (6.06241s) started
T01 << 1462349519.69629192 vbar (6.07812s) stopped
T01 >> 1462349519.69641209 XC 3D grid (4471.30901s) started
T01 >> 1462349519.87856197 van der Waals (4315.52502s) started
T01 >> 1462349519.92285705 semilocal (973.34856s) started
T01 << 1462349522.16021109 semilocal (975.58591s) stopped
T01 >> 1462349522.19332409 redistribute (475.13581s) started
T01 << 1462349522.57102799 redistribute (475.51351s) stopped
T01 >> 1462349522.57109690 libvdwxc nonlocal (2834.05578s) started
T01 << 1462349529.15722108 libvdwxc nonlocal (2840.64190s) stopped
T01 >> 1462349529.15730000 redistribute (475.51355s) started
T01 << 1462349529.80478597 redistribute (476.16104s) stopped
T01 << 1462349529.80592608 van der Waals (4325.45238s) stopped
T01 << 1462349529.98833299 XC 3D grid (4481.60093s) stopped
T01 >> 1462349529.98840308 Poisson (923.33426s) started
T01 << 1462349532.35727811 Poisson (925.70314s) stopped
T01 >> 1462349532.35738492 Hartree integrate/restrict (35.37298s) started
T01 << 1462349532.37431598 Hartree integrate/restrict (35.38991s) stopped
T01 >> 1462349532.37444401 Hartree integrate/restrict (35.39000s) started
T01 << 1462349532.44336510 Hartree integrate/restrict (35.45892s) stopped
T01 >> 1462349532.46271110 Atomic (2761.59598s) started
T01 >> 1462349532.47318792 XC Correction (2755.93510s) started
T01 << 1462349538.98561001 XC Correction (2762.44752s) stopped
T01 << 1462349538.98876405 Atomic (2768.12203s) stopped
T01 >> 1462349538.98891711 Communicate (2094.79890s) started
T01 << 1462349543.75814891 Communicate (2099.56813s) stopped
T01 << 1462349543.75818205 Hamiltonian (10325.84588s) stopped
T01 >> 1462349543.75830412 LCAO eigensolver (3709.43617s) started
T01 >> 1462349543.75831795 Potential matrix (118.84058s) started
T01 << 1462349544.02055597 Potential matrix (119.10282s) stopped
T01 >> 1462349544.02063298 DistributedAtomicCorrection (616.00625s) started
T01 << 1462349545.38612795 DistributedAtomicCorrection (617.37175s) stopped
T01 >> 1462349545.38621712 Distribute overlap matrix (533.24360s) started
T01 >> 1462349545.38624001 blocked summation (505.47463s) started
T01 << 1462349546.47556210 blocked summation (506.56395s) stopped
T01 >> 1462349546.47749901 Scalapack redistribute (27.05532s) started
T01 << 1462349546.53761292 Scalapack redistribute (27.11543s) stopped
T01 << 1462349546.53769898 Distribute overlap matrix (534.39509s) stopped
T01 >> 1462349546.53828812 Blacs Orbital Layouts (1272.42902s) started
T01 >> 1462349546.53946996 General diagonalize (1247.07248s) started
T01 << 1462349549.24378300 General diagonalize (1249.77679s) stopped
T01 >> 1462349549.24384689 Redistribute coefs (1.36654s) started
T01 << 1462349549.24653292 Redistribute coefs (1.36923s) stopped
T01 >> 1462349549.24658108 Send coefs to domains (23.29133s) started
T01 << 1462349549.30032396 Send coefs to domains (23.34507s) stopped
T01 << 1462349549.30065203 Blacs Orbital Layouts (1275.19138s) stopped
T01 >> 1462349549.30071402 Calculate projections (1168.52573s) started
T01 << 1462349551.82620001 Calculate projections (1171.05122s) stopped
T01 << 1462349551.82645988 LCAO eigensolver (3717.50433s) stopped
T01 >> 1462349551.82716203 Density (907.55189s) started
T01 >> 1462349551.82717395 Pseudo density (750.05806s) started
T01 >> 1462349551.82759309 Calculate density matrix (674.02632s) started
T01 << 1462349553.40655994 Calculate density matrix (675.60529s) stopped
T01 >> 1462349553.40664792 Construct density (74.97651s) started
T01 << 1462349553.58367491 Construct density (75.15354s) stopped
T01 >> 1462349553.58507991 Symmetrize density (0.01898s) started
T01 << 1462349553.58511305 Symmetrize density (0.01901s) stopped
T01 << 1462349553.58553696 Pseudo density (751.81642s) stopped
T01 >> 1462349553.58555603 Atomic density matrices (104.31340s) started
T01 << 1462349553.82814503 Atomic density matrices (104.55599s) stopped
T01 >> 1462349553.82818604 Multipole moments (1.68812s) started
T01 << 1462349553.83214903 Multipole moments (1.69209s) stopped
T01 >> 1462349553.83217096 Normalize (0.46551s) started
T01 << 1462349553.83323312 Normalize (0.46657s) stopped
T01 >> 1462349553.83326888 Mix (50.99795s) started
T01 << 1462349553.95246410 Mix (51.11715s) stopped
T01 << 1462349553.95251298 Density (909.67724s) stopped
T01 >> 1462349553.95259309 Hamiltonian (10325.84589s) started
T01 >> 1462349553.95261312 vbar (6.07819s) started
T01 << 1462349553.96829510 vbar (6.09388s) stopped
T01 >> 1462349553.96835995 XC 3D grid (4481.60099s) started
T01 >> 1462349554.14825106 van der Waals (4325.45241s) started
T01 >> 1462349554.19266605 semilocal (975.58599s) started
T01 << 1462349556.42518902 semilocal (977.81851s) stopped
T01 >> 1462349556.45759511 redistribute (476.16108s) started
T01 << 1462349556.83603406 redistribute (476.53952s) stopped
T01 >> 1462349556.83610106 libvdwxc nonlocal (2840.64196s) started
T01 << 1462349563.40080810 libvdwxc nonlocal (2847.20666s) stopped
T01 >> 1462349563.40088892 redistribute (476.53955s) started
T01 << 1462349564.04831600 redistribute (477.18698s) stopped
T01 << 1462349564.04960704 van der Waals (4335.35376s) stopped
T01 << 1462349564.23031497 XC 3D grid (4491.86294s) stopped
T01 >> 1462349564.23036003 Poisson (925.70322s) started
T01 << 1462349566.60483599 Poisson (928.07770s) stopped
T01 >> 1462349566.60494399 Hartree integrate/restrict (35.45896s) started
T01 << 1462349566.62205505 Hartree integrate/restrict (35.47607s) stopped
T01 >> 1462349566.62214589 Hartree integrate/restrict (35.47614s) started
T01 << 1462349566.68563199 Hartree integrate/restrict (35.53963s) stopped
T01 >> 1462349566.70500708 Atomic (2768.12205s) started
T01 >> 1462349566.71547508 XC Correction (2762.44754s) started
T01 << 1462349573.26797009 XC Correction (2769.00004s) stopped
T01 << 1462349573.27110410 Atomic (2774.68815s) stopped
T01 >> 1462349573.27125812 Communicate (2099.56815s) started
T01 << 1462349578.04109406 Communicate (2104.33799s) stopped
T01 << 1462349578.04112792 Hamiltonian (10349.93442s) stopped
T01 >> 1462349578.04124689 LCAO eigensolver (3717.50435s) started
T01 >> 1462349578.04126096 Potential matrix (119.10286s) started
T01 << 1462349578.30394101 Potential matrix (119.36554s) stopped
T01 >> 1462349578.30401707 DistributedAtomicCorrection (617.37178s) started
T01 << 1462349579.66067600 DistributedAtomicCorrection (618.72844s) stopped
T01 >> 1462349579.66076398 Distribute overlap matrix (534.39510s) started
T01 >> 1462349579.66078806 blocked summation (506.56399s) started
T01 << 1462349580.76745009 blocked summation (507.67065s) stopped
T01 >> 1462349580.76941109 Scalapack redistribute (27.11547s) started
T01 << 1462349580.82632494 Scalapack redistribute (27.17238s) stopped
T01 << 1462349580.82641196 Distribute overlap matrix (535.56075s) stopped
T01 >> 1462349580.82700992 Blacs Orbital Layouts (1275.19141s) started
T01 >> 1462349580.82816696 General diagonalize (1249.77683s) started
T01 << 1462349583.54870296 General diagonalize (1252.49737s) stopped
T01 >> 1462349583.54876494 Redistribute coefs (1.36927s) started
T01 << 1462349583.55134201 Redistribute coefs (1.37184s) stopped
T01 >> 1462349583.55143499 Send coefs to domains (23.34511s) started
T01 << 1462349583.60484099 Send coefs to domains (23.39852s) stopped
T01 << 1462349583.60510302 Blacs Orbital Layouts (1277.96950s) stopped
T01 >> 1462349583.60516906 Calculate projections (1171.05126s) started
T01 << 1462349586.13054490 Calculate projections (1173.57664s) stopped
T01 << 1462349586.13080597 LCAO eigensolver (3725.59391s) stopped
T01 >> 1462349586.13154697 Density (909.67726s) started
T01 >> 1462349586.13156104 Pseudo density (751.81643s) started
T01 >> 1462349586.13197994 Calculate density matrix (675.60533s) started
T01 << 1462349587.71341109 Calculate density matrix (677.18676s) stopped
T01 >> 1462349587.71350002 Construct density (75.15357s) started
T01 << 1462349587.88943505 Construct density (75.32951s) stopped
T01 >> 1462349587.89085102 Symmetrize density (0.01902s) started
T01 << 1462349587.89091492 Symmetrize density (0.01909s) stopped
T01 << 1462349587.89134407 Pseudo density (753.57622s) stopped
T01 >> 1462349587.89136291 Atomic density matrices (104.55602s) started
T01 << 1462349588.13436699 Atomic density matrices (104.79902s) stopped
T01 >> 1462349588.13440609 Multipole moments (1.69210s) started
T01 << 1462349588.13838196 Multipole moments (1.69608s) stopped
T01 >> 1462349588.13840508 Normalize (0.46659s) started
T01 << 1462349588.13946891 Normalize (0.46766s) stopped
T01 >> 1462349588.13950491 Mix (51.11720s) started
T01 << 1462349588.25897908 Mix (51.23667s) stopped
T01 << 1462349588.25902796 Density (911.80474s) stopped
T01 >> 1462349588.25911498 Hamiltonian (10349.93444s) started
T01 >> 1462349588.25913405 vbar (6.09391s) started
T01 << 1462349588.27469397 vbar (6.10947s) stopped
T01 >> 1462349588.27476597 XC 3D grid (4491.86297s) started
T01 >> 1462349588.44797301 van der Waals (4335.35381s) started
T01 >> 1462349588.49199700 semilocal (977.81859s) started
T01 << 1462349590.69320297 semilocal (980.01979s) stopped
T01 >> 1462349590.72690606 redistribute (477.18702s) started
T01 << 1462349591.13453889 redistribute (477.59466s) stopped
T01 >> 1462349591.13460708 libvdwxc nonlocal (2847.20672s) started
T01 << 1462349597.69316411 libvdwxc nonlocal (2853.76528s) stopped
T01 >> 1462349597.69323492 redistribute (477.59470s) started
T01 << 1462349598.33889699 redistribute (478.24036s) stopped
T01 << 1462349598.33992004 van der Waals (4345.24576s) stopped
T01 << 1462349598.52045894 XC 3D grid (4502.10867s) stopped
T01 >> 1462349598.52050805 Poisson (928.07778s) started
T01 << 1462349600.30236793 Poisson (929.85964s) stopped
T01 >> 1462349600.30244994 Hartree integrate/restrict (35.53967s) started
T01 << 1462349600.31945300 Hartree integrate/restrict (35.55667s) stopped
T01 >> 1462349600.31955910 Hartree integrate/restrict (35.55675s) started
T01 << 1462349600.38210893 Hartree integrate/restrict (35.61930s) stopped
T01 >> 1462349600.40503097 Atomic (2774.68817s) started
T01 >> 1462349600.41557789 XC Correction (2769.00006s) started
T01 << 1462349606.88995600 XC Correction (2775.47444s) stopped
T01 << 1462349606.89312601 Atomic (2781.17626s) stopped
T01 >> 1462349606.89327788 Communicate (2104.33801s) started
T01 << 1462349611.70923209 Communicate (2109.15396s) stopped
T01 << 1462349611.70926595 Hamiltonian (10373.38459s) stopped
T01 >> 1462349611.70938802 LCAO eigensolver (3725.59393s) started
T01 >> 1462349611.70940304 Potential matrix (119.36558s) started
T01 << 1462349611.97063398 Potential matrix (119.62681s) stopped
T01 >> 1462349611.97071409 DistributedAtomicCorrection (618.72848s) started
T01 << 1462349613.33143997 DistributedAtomicCorrection (620.08921s) stopped
T01 >> 1462349613.33152604 Distribute overlap matrix (535.56076s) started
T01 >> 1462349613.33154893 blocked summation (507.67069s) started
T01 << 1462349614.43559408 blocked summation (508.77474s) stopped
T01 >> 1462349614.43814492 Scalapack redistribute (27.17242s) started
T01 << 1462349614.49706507 Scalapack redistribute (27.23134s) stopped
T01 << 1462349614.49714994 Distribute overlap matrix (536.72638s) stopped
T01 >> 1462349614.49773788 Blacs Orbital Layouts (1277.96952s) started
T01 >> 1462349614.49888301 General diagonalize (1252.49741s) started
T01 << 1462349617.23042893 General diagonalize (1255.22895s) stopped
T01 >> 1462349617.23049212 Redistribute coefs (1.37188s) started
T01 << 1462349617.23319292 Redistribute coefs (1.37458s) stopped
T01 >> 1462349617.23328209 Send coefs to domains (23.39856s) started
T01 << 1462349617.28698301 Send coefs to domains (23.45226s) stopped
T01 << 1462349617.28727388 Blacs Orbital Layouts (1280.75905s) stopped
T01 >> 1462349617.28733706 Calculate projections (1173.57668s) started
T01 << 1462349619.81268311 Calculate projections (1176.10203s) stopped
T01 << 1462349619.81310511 LCAO eigensolver (3733.69764s) stopped
T01 >> 1462349619.81381392 Density (911.80475s) started
T01 >> 1462349619.81382704 Pseudo density (753.57623s) started
T01 >> 1462349619.81424189 Calculate density matrix (677.18680s) started
T01 << 1462349621.39184999 Calculate density matrix (678.76441s) stopped
T01 >> 1462349621.39196396 Construct density (75.32954s) started
T01 << 1462349621.56825900 Construct density (75.50583s) stopped
T01 >> 1462349621.56969500 Symmetrize density (0.01910s) started
T01 << 1462349621.56972790 Symmetrize density (0.01913s) stopped
T01 << 1462349621.57015705 Pseudo density (755.33256s) stopped
T01 >> 1462349621.57017708 Atomic density matrices (104.79905s) started
T01 << 1462349621.81432390 Atomic density matrices (105.04320s) stopped
T01 >> 1462349621.81436396 Multipole moments (1.69609s) started
T01 << 1462349621.81829810 Multipole moments (1.70002s) stopped
T01 >> 1462349621.81832099 Normalize (0.46768s) started
T01 << 1462349621.81937790 Normalize (0.46874s) stopped
T01 >> 1462349621.81941390 Mix (51.23672s) started
T01 << 1462349621.93774796 Mix (51.35505s) stopped
T01 << 1462349621.93783307 Density (913.92877s) stopped
T01 >> 1462349621.93791890 Hamiltonian (10373.38460s) started
T01 >> 1462349621.93793702 vbar (6.10951s) started
T01 << 1462349621.95384312 vbar (6.12542s) stopped
T01 >> 1462349621.95393705 XC 3D grid (4502.10870s) started
T01 >> 1462349622.13304496 van der Waals (4345.24579s) started
T01 >> 1462349622.17683291 semilocal (980.01990s) started
T01 << 1462349624.42062902 semilocal (982.26370s) stopped
T01 >> 1462349624.45147491 redistribute (478.24040s) started
T01 << 1462349624.82333803 redistribute (478.61226s) stopped
T01 >> 1462349624.82340503 libvdwxc nonlocal (2853.76532s) started
T01 << 1462349631.37206697 libvdwxc nonlocal (2860.31399s) stopped
T01 >> 1462349631.37212610 redistribute (478.61230s) started
T01 << 1462349632.03280711 redistribute (479.27298s) stopped
T01 << 1462349632.03439903 van der Waals (4355.14715s) stopped
T01 << 1462349632.20466900 XC 3D grid (4512.35944s) stopped
T01 >> 1462349632.20474005 Poisson (929.85970s) started
T01 << 1462349633.98095393 Poisson (931.63591s) stopped
T01 >> 1462349633.98107910 Hartree integrate/restrict (35.61933s) started
T01 << 1462349633.99809408 Hartree integrate/restrict (35.63635s) stopped
T01 >> 1462349633.99823809 Hartree integrate/restrict (35.63645s) started
T01 << 1462349634.06782794 Hartree integrate/restrict (35.70604s) stopped
T01 >> 1462349634.08661890 Atomic (2781.17628s) started
T01 >> 1462349634.09725094 XC Correction (2775.47447s) started
T01 << 1462349640.60913610 XC Correction (2781.98635s) stopped
T01 << 1462349640.61230206 Atomic (2787.70196s) stopped
T01 >> 1462349640.61245894 Communicate (2109.15399s) started
T01 << 1462349645.32427406 Communicate (2113.86580s) stopped
T01 << 1462349645.32430792 Hamiltonian (10396.77099s) stopped
T01 >> 1462349645.32443309 LCAO eigensolver (3733.69766s) started
T01 >> 1462349645.32444811 Potential matrix (119.62685s) started
T01 << 1462349645.58547902 Potential matrix (119.88789s) stopped
T01 >> 1462349645.58555794 DistributedAtomicCorrection (620.08924s) started
T01 << 1462349646.94964409 DistributedAtomicCorrection (621.45333s) stopped
T01 >> 1462349646.94973612 Distribute overlap matrix (536.72640s) started
T01 >> 1462349646.94975996 blocked summation (508.77478s) started
T01 << 1462349648.05528092 blocked summation (509.88030s) stopped
T01 >> 1462349648.05704594 Scalapack redistribute (27.23138s) started
T01 << 1462349648.11535692 Scalapack redistribute (27.28969s) stopped
T01 << 1462349648.11544299 Distribute overlap matrix (537.89210s) stopped
T01 >> 1462349648.11605406 Blacs Orbital Layouts (1280.75907s) started
T01 >> 1462349648.11720300 General diagonalize (1255.22899s) started
T01 << 1462349650.84428191 General diagonalize (1257.95607s) stopped
T01 >> 1462349650.84434700 Redistribute coefs (1.37462s) started
T01 << 1462349650.84788203 Redistribute coefs (1.37815s) stopped
T01 >> 1462349650.84792900 Send coefs to domains (23.45230s) started
T01 << 1462349650.90028405 Send coefs to domains (23.50466s) stopped
T01 << 1462349650.90054393 Blacs Orbital Layouts (1283.54356s) stopped
T01 >> 1462349650.90060496 Calculate projections (1176.10208s) started
T01 << 1462349653.42586994 Calculate projections (1178.62735s) stopped
T01 << 1462349653.42613411 LCAO eigensolver (3741.79936s) stopped
T01 >> 1462349653.42684889 Density (913.92879s) started
T01 >> 1462349653.42686200 Pseudo density (755.33257s) started
T01 >> 1462349653.42728090 Calculate density matrix (678.76447s) started
T01 << 1462349655.00215697 Calculate density matrix (680.33935s) stopped
T01 >> 1462349655.00225592 Construct density (75.50587s) started
T01 << 1462349655.17875004 Construct density (75.68237s) stopped
T01 >> 1462349655.18015599 Symmetrize density (0.01914s) started
T01 << 1462349655.18019009 Symmetrize density (0.01918s) stopped
T01 << 1462349655.18061996 Pseudo density (757.08633s) stopped
T01 >> 1462349655.18063998 Atomic density matrices (105.04323s) started
T01 << 1462349655.42332602 Atomic density matrices (105.28591s) stopped
T01 >> 1462349655.42336607 Multipole moments (1.70004s) started
T01 << 1462349655.42732811 Multipole moments (1.70400s) stopped
T01 >> 1462349655.42735100 Normalize (0.46877s) started
T01 << 1462349655.42841506 Normalize (0.46983s) stopped
T01 >> 1462349655.42845106 Mix (51.35513s) started
T01 << 1462349655.54753709 Mix (51.47422s) stopped
T01 << 1462349655.54758310 Density (916.04952s) stopped
T01 >> 1462349655.54766703 Hamiltonian (10396.77100s) started
T01 >> 1462349655.54768705 vbar (6.12547s) started
T01 << 1462349655.56325603 vbar (6.14104s) stopped
T01 >> 1462349655.56332588 XC 3D grid (4512.35949s) started
T01 >> 1462349655.74265409 van der Waals (4355.14724s) started
T01 >> 1462349655.78754592 semilocal (982.26375s) started
T01 << 1462349658.02125907 semilocal (984.49746s) stopped
T01 >> 1462349658.05339193 redistribute (479.27313s) started
T01 << 1462349658.42661500 redistribute (479.64635s) stopped
T01 >> 1462349658.42668605 libvdwxc nonlocal (2860.31402s) started
T01 << 1462349664.98156404 libvdwxc nonlocal (2866.86890s) stopped
T01 >> 1462349664.98162389 redistribute (479.64639s) started
T01 << 1462349665.63611197 redistribute (480.30088s) stopped
T01 << 1462349665.63735509 van der Waals (4365.04194s) stopped
T01 << 1462349665.81705594 XC 3D grid (4522.61322s) stopped
T01 >> 1462349665.81710505 Poisson (931.63601s) started
T01 << 1462349667.59387207 Poisson (933.41278s) stopped
T01 >> 1462349667.59397292 Hartree integrate/restrict (35.70608s) started
T01 << 1462349667.61106110 Hartree integrate/restrict (35.72317s) stopped
T01 >> 1462349667.61114192 Hartree integrate/restrict (35.72323s) started
T01 << 1462349667.67458701 Hartree integrate/restrict (35.78668s) stopped
T01 >> 1462349667.69855905 Atomic (2787.70198s) started
T01 >> 1462349667.70930409 XC Correction (2781.98638s) started
T01 << 1462349674.23416591 XC Correction (2788.51124s) stopped
T01 << 1462349674.23733997 Atomic (2794.24076s) stopped
T01 >> 1462349674.23749399 Communicate (2113.86583s) started
T01 << 1462349678.98883295 Communicate (2118.61717s) stopped
T01 << 1462349678.98886609 Hamiltonian (10420.21220s) stopped
T01 >> 1462349678.98898196 LCAO eigensolver (3741.79938s) started
T01 >> 1462349678.98899698 Potential matrix (119.88793s) started
T01 << 1462349679.25425601 Potential matrix (120.15319s) stopped
T01 >> 1462349679.25433302 DistributedAtomicCorrection (621.45337s) started
T01 << 1462349680.61602092 DistributedAtomicCorrection (622.81506s) stopped
T01 >> 1462349680.61610794 Distribute overlap matrix (537.89212s) started
T01 >> 1462349680.61613107 blocked summation (509.88034s) started
T01 << 1462349681.72125697 blocked summation (510.98546s) stopped
T01 >> 1462349681.72302699 Scalapack redistribute (27.28973s) started
T01 << 1462349681.78152394 Scalapack redistribute (27.34823s) stopped
T01 << 1462349681.78161597 Distribute overlap matrix (539.05762s) stopped
T01 >> 1462349681.78223491 Blacs Orbital Layouts (1283.54358s) started
T01 >> 1462349681.78339100 General diagonalize (1257.95611s) started
T01 << 1462349684.49752593 General diagonalize (1260.67024s) stopped
T01 >> 1462349684.49759007 Redistribute coefs (1.37819s) started
T01 << 1462349684.50104690 Redistribute coefs (1.38165s) stopped
T01 >> 1462349684.50109291 Send coefs to domains (23.50470s) started
T01 << 1462349684.55355501 Send coefs to domains (23.55716s) stopped
T01 << 1462349684.55382490 Blacs Orbital Layouts (1286.31517s) stopped
T01 >> 1462349684.55388498 Calculate projections (1178.62740s) started
T01 << 1462349687.07902908 Calculate projections (1181.15254s) stopped
T01 << 1462349687.07929206 LCAO eigensolver (3749.88969s) stopped
T01 >> 1462349687.07997394 Density (916.04954s) started
T01 >> 1462349687.07998705 Pseudo density (757.08635s) started
T01 >> 1462349687.08040309 Calculate density matrix (680.33940s) started
T01 << 1462349688.65952992 Calculate density matrix (681.91852s) stopped
T01 >> 1462349688.65962696 Construct density (75.68240s) started
T01 << 1462349688.83554506 Construct density (75.85832s) stopped
T01 >> 1462349688.83698797 Symmetrize density (0.01919s) started
T01 << 1462349688.83702207 Symmetrize density (0.01922s) stopped
T01 << 1462349688.83746004 Pseudo density (758.84382s) stopped
T01 >> 1462349688.83748007 Atomic density matrices (105.28594s) started
T01 << 1462349689.08054090 Atomic density matrices (105.52900s) stopped
T01 >> 1462349689.08058000 Multipole moments (1.70402s) started
T01 << 1462349689.08455706 Multipole moments (1.70800s) stopped
T01 >> 1462349689.08457994 Normalize (0.46986s) started
T01 << 1462349689.08563900 Normalize (0.47092s) stopped
T01 >> 1462349689.08567905 Mix (51.47427s) started
T01 << 1462349689.20525098 Mix (51.59384s) stopped
T01 << 1462349689.20531201 Density (918.17487s) stopped
T01 >> 1462349689.20541501 Hamiltonian (10420.21221s) started
T01 >> 1462349689.20543599 vbar (6.14108s) started
T01 << 1462349689.22083497 vbar (6.15648s) stopped
T01 >> 1462349689.22090006 XC 3D grid (4522.61326s) started
T01 >> 1462349689.40256095 van der Waals (4365.04198s) started
T01 >> 1462349689.44729090 semilocal (984.49751s) started
T01 << 1462349691.67005801 semilocal (986.72028s) stopped
T01 >> 1462349691.70140290 redistribute (480.30092s) started
T01 << 1462349692.08606291 redistribute (480.68558s) stopped
T01 >> 1462349692.08612990 libvdwxc nonlocal (2866.86893s) started
T01 << 1462349698.65127802 libvdwxc nonlocal (2873.43408s) stopped
T01 >> 1462349698.65133595 redistribute (480.68562s) started
T01 << 1462349699.30472994 redistribute (481.33901s) stopped
T01 << 1462349699.30570602 van der Waals (4374.94513s) stopped
T01 << 1462349699.48429108 XC 3D grid (4532.87665s) stopped
T01 >> 1462349699.48434210 Poisson (933.41285s) started
T01 << 1462349701.26319194 Poisson (935.19170s) stopped
T01 >> 1462349701.26329899 Hartree integrate/restrict (35.78671s) started
T01 << 1462349701.28039289 Hartree integrate/restrict (35.80380s) stopped
T01 >> 1462349701.28048706 Hartree integrate/restrict (35.80387s) started
T01 << 1462349701.34361291 Hartree integrate/restrict (35.86700s) stopped
T01 >> 1462349701.36765289 Atomic (2794.24078s) started
T01 >> 1462349701.37829089 XC Correction (2788.51126s) started
T01 << 1462349707.89483500 XC Correction (2795.02781s) stopped
T01 << 1462349707.89800501 Atomic (2800.77113s) stopped
T01 >> 1462349707.89815903 Communicate (2118.61719s) started
T01 << 1462349712.59698796 Communicate (2123.31602s) stopped
T01 << 1462349712.59702206 Hamiltonian (10443.60382s) stopped
T01 >> 1462349712.59714007 LCAO eigensolver (3749.88971s) started
T01 >> 1462349712.59715605 Potential matrix (120.15323s) started
T01 << 1462349712.86064291 Potential matrix (120.41672s) stopped
T01 >> 1462349712.86072206 DistributedAtomicCorrection (622.81510s) started
T01 << 1462349714.23981905 DistributedAtomicCorrection (624.19419s) stopped
T01 >> 1462349714.23990798 Distribute overlap matrix (539.05764s) started
T01 >> 1462349714.23992991 blocked summation (510.98550s) started
T01 << 1462349715.33774304 blocked summation (512.08332s) stopped
T01 >> 1462349715.33952904 Scalapack redistribute (27.34827s) started
T01 << 1462349715.39833689 Scalapack redistribute (27.40707s) stopped
T01 << 1462349715.39842796 Distribute overlap matrix (540.21616s) stopped
T01 >> 1462349715.39902711 Blacs Orbital Layouts (1286.31519s) started
T01 >> 1462349715.40063500 General diagonalize (1260.67028s) started
T01 << 1462349718.14286995 General diagonalize (1263.41252s) stopped
T01 >> 1462349718.14293289 Redistribute coefs (1.38168s) started
T01 << 1462349718.14620900 Redistribute coefs (1.38496s) stopped
T01 >> 1462349718.14625597 Send coefs to domains (23.55721s) started
T01 << 1462349718.20001793 Send coefs to domains (23.61097s) stopped
T01 << 1462349718.20044398 Blacs Orbital Layouts (1289.11661s) stopped
T01 >> 1462349718.20051003 Calculate projections (1181.15259s) started
T01 << 1462349720.72575593 Calculate projections (1183.67784s) stopped
T01 << 1462349720.72601604 LCAO eigensolver (3758.01858s) stopped
T01 << 1462349720.72673607 SCF-cycle (15120.18571s) stopped
T01 >> 1462349721.60696101 Force calculation (755.73392s) started
T01 >> 1462349721.60702205 LCAO forces (475.46996s) started
T01 >> 1462349721.60737896 Initial (0.00058s) started
T01 << 1462349721.60738993 Initial (0.00059s) stopped
T01 >> 1462349721.61164093 Get density matrix (92.38192s) started
T01 << 1462349722.21885800 Get density matrix (92.98913s) stopped
T01 >> 1462349722.21892810 Potential (34.04420s) started
T01 << 1462349723.61688304 Potential (35.44215s) stopped
T01 >> 1462349723.61695099 Get density matrix (92.98917s) started
T01 << 1462349726.87656999 Get density matrix (96.24879s) stopped
T01 >> 1462349726.87670803 Prepare TCI loop (47.43534s) started
T01 >> 1462349726.87719202 Get neighbors (42.87887s) started
T01 << 1462349728.70275593 Get neighbors (44.70444s) stopped
T01 >> 1462349728.70298409 broadcast dH (4.53953s) started
T01 << 1462349728.77165604 broadcast dH (4.60820s) stopped
T01 << 1462349728.77170205 Prepare TCI loop (49.33034s) stopped
T01 >> 1462349728.77171993 Not so complicated loop (66.88026s) started
T01 << 1462349731.48485994 Not so complicated loop (69.59341s) stopped
T01 >> 1462349731.60965800 Complicated loop (231.40341s) started
T01 << 1462349741.08739710 Complicated loop (240.88115s) stopped
T01 >> 1462349741.09893703 Wait for sum (0.00138s) started
T01 << 1462349741.09897590 Wait for sum (0.00142s) stopped
T01 << 1462349741.09898710 LCAO forces (494.96192s) stopped
T01 << 1462349753.89171195 Force calculation (788.01867s) stopped
T01 >> 1462349753.90951800 Initialization (1296.27844s) started
T01 << 1462349753.90971303 Initialization (1296.27863s) stopped
T01 >> 1462349753.91005111 Initialization (1296.27865s) started
T01 << 1462349753.91018391 Initialization (1296.27878s) stopped
T01 >> 1462349753.91031790 Initialization (1296.27880s) started
T01 << 1462349753.91044998 Initialization (1296.27893s) stopped
T01 >> 1462349774.24244809 Initialization (1296.27895s) started
T01 >> 1462349774.32897711 Basic WFS set positions (2.49443s) started
T01 >> 1462349774.32900310 Redistribute (0.03861s) started
T01 << 1462349774.32914209 Redistribute (0.03875s) stopped
T01 << 1462349774.42462206 Basic WFS set positions (2.59007s) stopped
T01 >> 1462349774.42466211 Basis functions set positions (10.79241s) started
T01 << 1462349774.82948399 Basis functions set positions (11.19723s) stopped
T01 >> 1462349774.83025193 TCI: Calculate S, T, P (388.31619s) started
T01 << 1462349790.10199404 TCI: Calculate S, T, P (403.58793s) stopped
T01 >> 1462349790.10209203 blocked summation (102.26639s) started
T01 << 1462349793.65981197 blocked summation (105.82411s) stopped
T01 >> 1462349793.66146207 Scalapack redistribute (5.94787s) started
T01 << 1462349793.72079897 Scalapack redistribute (6.00720s) stopped
T01 >> 1462349793.72114992 blocked summation (105.82415s) started
T01 << 1462349793.90022802 blocked summation (106.00323s) stopped
T01 >> 1462349793.90192199 Scalapack redistribute (6.00727s) started
T01 << 1462349794.10355997 Scalapack redistribute (6.20891s) stopped
T01 >> 1462349794.10502195 Redistribute (0.05087s) started
T01 << 1462349794.10601902 Redistribute (0.05187s) stopped
T01 >> 1462349795.00757909 Redistribute (0.05189s) started
T01 << 1462349795.00871706 Redistribute (0.05303s) stopped
T01 >> 1462349795.01784706 LCAO WFS Initialize (758.80877s) started
T01 >> 1462349795.01787591 Density initialize from wavefunctions (30.28478s) started
T01 >> 1462349795.01829696 Calculate density matrix (17.60595s) started
T01 << 1462349795.73366904 Calculate density matrix (18.32133s) stopped
T01 >> 1462349795.73373890 Construct density (4.30090s) started
T01 << 1462349795.91082001 Construct density (4.47798s) stopped
T01 >> 1462349795.91242504 Symmetrize density (0.00107s) started
T01 << 1462349795.91245794 Symmetrize density (0.00110s) stopped
T01 << 1462349796.25649905 Density initialize from wavefunctions (31.52340s) stopped
T01 >> 1462349796.25709200 Hamiltonian (728.31406s) started
T01 >> 1462349796.25712490 vbar (0.37147s) started
T01 << 1462349796.27242899 vbar (0.38678s) stopped
T01 >> 1462349796.27250290 XC 3D grid (266.41406s) started
T01 >> 1462349796.45049405 van der Waals (257.14781s) started
T01 >> 1462349796.49416399 semilocal (57.66456s) started
T01 << 1462349798.70846009 semilocal (59.87886s) stopped
T01 >> 1462349798.74043298 redistribute (28.03490s) started
T01 << 1462349799.12877202 redistribute (28.42324s) stopped
T01 >> 1462349799.12884212 libvdwxc nonlocal (169.48770s) started
T01 << 1462349805.73576999 libvdwxc nonlocal (176.09462s) stopped
T01 >> 1462349805.73584604 redistribute (28.42328s) started
T01 << 1462349806.37895107 redistribute (29.06639s) stopped
T01 << 1462349806.38040090 van der Waals (267.07772s) stopped
T01 << 1462349806.55953002 XC 3D grid (276.70109s) stopped
T01 >> 1462349806.55957603 Poisson (123.66097s) started
T01 << 1462349811.23813891 Poisson (128.33953s) stopped
T01 >> 1462349811.23823190 Hartree integrate/restrict (2.08702s) started
T01 << 1462349811.25538707 Hartree integrate/restrict (2.10417s) stopped
T01 >> 1462349811.25545311 Hartree integrate/restrict (2.10422s) started
T01 << 1462349811.31805491 Hartree integrate/restrict (2.16682s) stopped
T01 >> 1462349811.33780503 Atomic (173.89356s) started
T01 >> 1462349811.34838104 XC Correction (173.54874s) started
T01 << 1462349817.94373298 XC Correction (180.14409s) stopped
T01 << 1462349817.94690800 Atomic (180.50267s) stopped
T01 >> 1462349817.94717193 Communicate (161.31623s) started
T01 << 1462349824.27882004 Communicate (167.64788s) stopped
T01 << 1462349824.27885604 Hamiltonian (756.33583s) stopped
T01 << 1462349824.27891588 LCAO WFS Initialize (788.06983s) stopped
T01 << 1462349824.29141092 Initialization (1346.32791s) stopped
T01 >> 1462349824.31670094 SCF-cycle (15120.18573s) started
T01 >> 1462349824.31674004 LCAO eigensolver (3758.01860s) started
T01 >> 1462349824.31675291 Potential matrix (120.41676s) started
T01 << 1462349824.57717299 Potential matrix (120.67718s) stopped
T01 >> 1462349824.57725096 DistributedAtomicCorrection (624.19423s) started
T01 << 1462349825.92770505 DistributedAtomicCorrection (625.54468s) stopped
T01 >> 1462349825.92779207 Distribute overlap matrix (540.21617s) started
T01 >> 1462349825.92781496 blocked summation (512.08335s) started
T01 << 1462349827.06619906 blocked summation (513.22174s) stopped
T01 >> 1462349827.06770492 Scalapack redistribute (27.40711s) started
T01 << 1462349827.12528205 Scalapack redistribute (27.46469s) stopped
T01 << 1462349827.12536597 Distribute overlap matrix (541.41374s) stopped
T01 >> 1462349827.12594509 Blacs Orbital Layouts (1289.11662s) started
T01 >> 1462349827.12807488 General diagonalize (1263.41255s) started
T01 << 1462349829.83101797 General diagonalize (1266.11550s) stopped
T01 >> 1462349829.83106804 Redistribute coefs (1.38499s) started
T01 << 1462349829.83385396 Redistribute coefs (1.38778s) stopped
T01 >> 1462349829.83389902 Send coefs to domains (23.61101s) started
T01 << 1462349829.88751411 Send coefs to domains (23.66463s) stopped
T01 << 1462349829.88811111 Blacs Orbital Layouts (1291.87879s) stopped
T01 >> 1462349829.88814497 Calculate projections (1183.67788s) started
T01 << 1462349832.41347003 Calculate projections (1186.20321s) stopped
T01 << 1462349832.41354108 LCAO eigensolver (3766.11540s) stopped
T01 >> 1462349832.41418409 Density (918.17489s) started
T01 >> 1462349832.41419601 Pseudo density (758.84383s) started
T01 >> 1462349832.41462302 Calculate density matrix (681.91857s) started
T01 << 1462349833.98599505 Calculate density matrix (683.48994s) stopped
T01 >> 1462349833.98607206 Construct density (75.85836s) started
T01 << 1462349834.16294503 Construct density (76.03523s) stopped
T01 >> 1462349834.16434503 Symmetrize density (0.01924s) started
T01 << 1462349834.16437697 Symmetrize density (0.01927s) stopped
T01 << 1462349834.16483307 Pseudo density (760.59447s) stopped
T01 >> 1462349834.16485310 Atomic density matrices (105.52903s) started
T01 << 1462349834.41105390 Atomic density matrices (105.77523s) stopped
T01 >> 1462349834.41109610 Multipole moments (1.70801s) started
T01 << 1462349834.41515398 Multipole moments (1.71207s) stopped
T01 >> 1462349834.41517591 Normalize (0.47094s) started
T01 << 1462349834.41632509 Normalize (0.47209s) stopped
T01 >> 1462349834.41635990 Mix (51.59390s) started
T01 << 1462349834.52161407 Mix (51.69915s) stopped
T01 << 1462349834.52167892 Density (920.28238s) stopped
T01 >> 1462349834.52177191 Hamiltonian (10443.60383s) started
T01 >> 1462349834.52179003 vbar (6.15651s) started
T01 << 1462349834.53698111 vbar (6.17170s) stopped
T01 >> 1462349834.53704500 XC 3D grid (4532.87669s) started
T01 >> 1462349834.71101308 van der Waals (4374.94518s) started
T01 >> 1462349834.75500298 semilocal (986.72037s) started
T01 << 1462349836.98675108 semilocal (988.95212s) stopped
T01 >> 1462349837.01974297 redistribute (481.33905s) started
T01 << 1462349837.39856100 redistribute (481.71787s) stopped
T01 >> 1462349837.39862990 libvdwxc nonlocal (2873.43412s) started
T01 << 1462349843.99354196 libvdwxc nonlocal (2880.02903s) stopped
T01 >> 1462349843.99362302 redistribute (481.71791s) started
T01 << 1462349844.64056110 redistribute (482.36485s) stopped
T01 << 1462349844.64184403 van der Waals (4384.87601s) stopped
T01 << 1462349844.82141709 XC 3D grid (4543.16106s) stopped
T01 >> 1462349844.82147694 Poisson (935.19178s) started
T01 << 1462349847.18488097 Poisson (937.55519s) stopped
T01 >> 1462349847.18499804 Hartree integrate/restrict (35.86704s) started
T01 << 1462349847.20206404 Hartree integrate/restrict (35.88410s) stopped
T01 >> 1462349847.20221996 Hartree integrate/restrict (35.88421s) started
T01 << 1462349847.26538992 Hartree integrate/restrict (35.94738s) stopped
T01 >> 1462349847.28970909 Atomic (2800.77115s) started
T01 >> 1462349847.29993510 XC Correction (2795.02783s) started
T01 << 1462349853.89319205 XC Correction (2801.62109s) stopped
T01 << 1462349853.89630008 Atomic (2807.37774s) stopped
T01 >> 1462349853.89645195 Communicate (2123.31604s) started
T01 << 1462349859.70017099 Communicate (2129.11976s) stopped
T01 << 1462349859.70020700 Hamiltonian (10468.78227s) stopped
T01 >> 1462349859.70032811 LCAO eigensolver (3766.11542s) started
T01 >> 1462349859.70034194 Potential matrix (120.67722s) started
T01 << 1462349859.96398997 Potential matrix (120.94087s) stopped
T01 >> 1462349859.96406603 DistributedAtomicCorrection (625.54472s) started
T01 << 1462349861.31715798 DistributedAtomicCorrection (626.89782s) stopped
T01 >> 1462349861.31724191 Distribute overlap matrix (541.41375s) started
T01 >> 1462349861.31726503 blocked summation (513.22178s) started
T01 << 1462349862.44924688 blocked summation (514.35376s) stopped
T01 >> 1462349862.45075703 Scalapack redistribute (27.46473s) started
T01 << 1462349862.50927901 Scalapack redistribute (27.52325s) stopped
T01 << 1462349862.50936389 Distribute overlap matrix (542.60588s) stopped
T01 >> 1462349862.50994110 Blacs Orbital Layouts (1291.87881s) started
T01 >> 1462349862.51128507 General diagonalize (1266.11554s) started
T01 << 1462349865.21475410 General diagonalize (1268.81901s) stopped
T01 >> 1462349865.21480203 Redistribute coefs (1.38781s) started
T01 << 1462349865.21753907 Redistribute coefs (1.39055s) stopped
T01 >> 1462349865.21758604 Send coefs to domains (23.66467s) started
T01 << 1462349865.27150011 Send coefs to domains (23.71858s) stopped
T01 << 1462349865.27187204 Blacs Orbital Layouts (1294.64074s) stopped
T01 >> 1462349865.27192998 Calculate projections (1186.20325s) started
T01 << 1462349867.79715300 Calculate projections (1188.72847s) stopped
T01 << 1462349867.79722309 LCAO eigensolver (3774.21231s) stopped
T01 >> 1462349867.79787707 Density (920.28240s) started
T01 >> 1462349867.79788995 Pseudo density (760.59449s) started
T01 >> 1462349867.79829407 Calculate density matrix (683.48999s) started
T01 << 1462349869.37236810 Calculate density matrix (685.06406s) stopped
T01 >> 1462349869.37243605 Construct density (76.03527s) started
T01 << 1462349869.54985595 Construct density (76.21269s) stopped
T01 >> 1462349869.55126190 Symmetrize density (0.01928s) started
T01 << 1462349869.55129600 Symmetrize density (0.01931s) stopped
T01 << 1462349869.55174589 Pseudo density (762.34834s) stopped
T01 >> 1462349869.55176592 Atomic density matrices (105.77526s) started
T01 << 1462349869.79572511 Atomic density matrices (106.01922s) stopped
T01 >> 1462349869.79576612 Multipole moments (1.71208s) started
T01 << 1462349869.79983902 Multipole moments (1.71616s) stopped
T01 >> 1462349869.79986095 Normalize (0.47212s) started
T01 << 1462349869.80103588 Normalize (0.47329s) stopped
T01 >> 1462349869.80106997 Mix (51.69921s) started
T01 << 1462349869.90813208 Mix (51.80628s) stopped
T01 << 1462349869.90821600 Density (922.39274s) stopped
T01 >> 1462349869.90830398 Hamiltonian (10468.78228s) started
T01 >> 1462349869.90832210 vbar (6.17174s) started
T01 << 1462349869.92409897 vbar (6.18752s) stopped
T01 >> 1462349869.92421603 XC 3D grid (4543.16111s) started
T01 >> 1462349870.10544491 van der Waals (4384.87605s) started
T01 >> 1462349870.15001607 semilocal (988.95223s) started
T01 << 1462349872.38564301 semilocal (991.18786s) stopped
T01 >> 1462349872.41683292 redistribute (482.36489s) started
T01 << 1462349872.78684711 redistribute (482.73491s) stopped
T01 >> 1462349872.78691506 libvdwxc nonlocal (2880.02908s) started
T01 << 1462349879.36315608 libvdwxc nonlocal (2886.60532s) stopped
T01 >> 1462349879.36323595 redistribute (482.73495s) started
T01 << 1462349880.00647211 redistribute (483.37818s) stopped
T01 << 1462349880.00764203 van der Waals (4394.77825s) stopped
T01 << 1462349880.18883610 XC 3D grid (4553.42573s) stopped
T01 >> 1462349880.18888497 Poisson (937.55528s) started
T01 << 1462349882.55444002 Poisson (939.92083s) stopped
T01 >> 1462349882.55453610 Hartree integrate/restrict (35.94741s) started
T01 << 1462349882.57163310 Hartree integrate/restrict (35.96451s) stopped
T01 >> 1462349882.57171011 Hartree integrate/restrict (35.96457s) started
T01 << 1462349882.63497305 Hartree integrate/restrict (36.02783s) stopped
T01 >> 1462349882.65497994 Atomic (2807.37775s) started
T01 >> 1462349882.66509891 XC Correction (2801.62112s) started
T01 << 1462349888.94174695 XC Correction (2807.89776s) stopped
T01 << 1462349888.94486594 Atomic (2813.66764s) stopped
T01 >> 1462349888.94501805 Communicate (2129.11978s) started
T01 << 1462349894.46852112 Communicate (2134.64329s) stopped
T01 << 1462349894.46855688 Hamiltonian (10493.34254s) stopped
T01 >> 1462349894.46868110 LCAO eigensolver (3774.21232s) started
T01 >> 1462349894.46869612 Potential matrix (120.94091s) started
T01 << 1462349894.73059011 Potential matrix (121.20281s) stopped
T01 >> 1462349894.73066998 DistributedAtomicCorrection (626.89785s) started
T01 << 1462349896.07619691 DistributedAtomicCorrection (628.24338s) stopped
T01 >> 1462349896.07628298 Distribute overlap matrix (542.60589s) started
T01 >> 1462349896.07630610 blocked summation (514.35380s) started
T01 << 1462349897.21726799 blocked summation (515.49476s) stopped
T01 >> 1462349897.21877098 Scalapack redistribute (27.52329s) started
T01 << 1462349897.27732897 Scalapack redistribute (27.58185s) stopped
T01 << 1462349897.27741194 Distribute overlap matrix (543.80702s) stopped
T01 >> 1462349897.27798200 Blacs Orbital Layouts (1294.64076s) started
T01 >> 1462349897.27930808 General diagonalize (1268.81904s) started
T01 << 1462349900.01973701 General diagonalize (1271.55947s) stopped
T01 >> 1462349900.01980400 Redistribute coefs (1.39058s) started
T01 << 1462349900.02268291 Redistribute coefs (1.39346s) stopped
T01 >> 1462349900.02273011 Send coefs to domains (23.71863s) started
T01 << 1462349900.07689309 Send coefs to domains (23.77279s) stopped
T01 << 1462349900.07728601 Blacs Orbital Layouts (1297.44006s) stopped
T01 >> 1462349900.07733989 Calculate projections (1188.72852s) started
T01 << 1462349902.60250211 Calculate projections (1191.25368s) stopped
T01 << 1462349902.60257506 LCAO eigensolver (3782.34622s) stopped
T01 >> 1462349902.60328603 Density (922.39275s) started
T01 >> 1462349902.60329890 Pseudo density (762.34836s) started
T01 >> 1462349902.60371494 Calculate density matrix (685.06410s) started
T01 << 1462349904.18276310 Calculate density matrix (686.64315s) stopped
T01 >> 1462349904.18287396 Construct density (76.21272s) started
T01 << 1462349904.35920000 Construct density (76.38904s) stopped
T01 >> 1462349904.36064696 Symmetrize density (0.01932s) started
T01 << 1462349904.36068511 Symmetrize density (0.01936s) stopped
T01 << 1462349904.36112690 Pseudo density (764.10618s) stopped
T01 >> 1462349904.36114597 Atomic density matrices (106.01924s) started
T01 << 1462349904.60554194 Atomic density matrices (106.26364s) stopped
T01 >> 1462349904.60558295 Multipole moments (1.71617s) started
T01 << 1462349904.60960007 Multipole moments (1.72019s) stopped
T01 >> 1462349904.60962296 Normalize (0.47332s) started
T01 << 1462349904.61079097 Normalize (0.47449s) stopped
T01 >> 1462349904.61082602 Mix (51.80635s) started
T01 << 1462349904.72337198 Mix (51.91890s) stopped
T01 << 1462349904.72345710 Density (924.51292s) stopped
T01 >> 1462349904.72355795 Hamiltonian (10493.34255s) started
T01 >> 1462349904.72357798 vbar (6.18759s) started
T01 << 1462349904.73900294 vbar (6.20301s) stopped
T01 >> 1462349904.73906898 XC 3D grid (4553.42577s) started
T01 >> 1462349904.91032195 van der Waals (4394.77830s) started
T01 >> 1462349904.95459509 semilocal (991.18795s) started
T01 << 1462349907.16963005 semilocal (993.40299s) stopped
T01 >> 1462349907.20351291 redistribute (483.37823s) started
T01 << 1462349907.60179806 redistribute (483.77652s) stopped
T01 >> 1462349907.60186601 libvdwxc nonlocal (2886.60538s) started
T01 << 1462349914.16460109 libvdwxc nonlocal (2893.16811s) stopped
T01 >> 1462349914.16470098 redistribute (483.77656s) started
T01 << 1462349914.81163692 redistribute (484.42349s) stopped
T01 << 1462349914.81288791 van der Waals (4404.68087s) stopped
T01 << 1462349914.99158597 XC 3D grid (4563.67828s) stopped
T01 >> 1462349914.99163198 Poisson (939.92091s) started
T01 << 1462349917.35886693 Poisson (942.28814s) stopped
T01 >> 1462349917.35897803 Hartree integrate/restrict (36.02786s) started
T01 << 1462349917.37591410 Hartree integrate/restrict (36.04480s) stopped
T01 >> 1462349917.37603688 Hartree integrate/restrict (36.04489s) started
T01 << 1462349917.43918109 Hartree integrate/restrict (36.10803s) stopped
T01 >> 1462349917.45956898 Atomic (2813.66766s) started
T01 >> 1462349917.46976590 XC Correction (2807.89779s) started
T01 << 1462349923.79101610 XC Correction (2814.21904s) stopped
T01 << 1462349923.79411697 Atomic (2820.00221s) stopped
T01 >> 1462349923.79426599 Communicate (2134.64331s) started
T01 << 1462349928.71853495 Communicate (2139.56758s) stopped
T01 << 1462349928.71856999 Hamiltonian (10517.33756s) stopped
T01 >> 1462349928.71869302 LCAO eigensolver (3782.34623s) started
T01 >> 1462349928.71870804 Potential matrix (121.20285s) started
T01 << 1462349928.97970295 Potential matrix (121.46385s) stopped
T01 >> 1462349928.97977901 DistributedAtomicCorrection (628.24342s) started
T01 << 1462349930.32638597 DistributedAtomicCorrection (629.59003s) stopped
T01 >> 1462349930.32647204 Distribute overlap matrix (543.80703s) started
T01 >> 1462349930.32649398 blocked summation (515.49480s) started
T01 << 1462349931.45832109 blocked summation (516.62663s) stopped
T01 >> 1462349931.45985794 Scalapack redistribute (27.58188s) started
T01 << 1462349931.52170300 Scalapack redistribute (27.64373s) stopped
T01 << 1462349931.52178502 Distribute overlap matrix (545.00234s) stopped
T01 >> 1462349931.52235889 Blacs Orbital Layouts (1297.44008s) started
T01 >> 1462349931.52449489 General diagonalize (1271.55951s) started
T01 << 1462349934.22623491 General diagonalize (1274.26125s) stopped
T01 >> 1462349934.22630095 Redistribute coefs (1.39350s) started
T01 << 1462349934.22920895 Redistribute coefs (1.39641s) stopped
T01 >> 1462349934.22925711 Send coefs to domains (23.77283s) started
T01 << 1462349934.28303289 Send coefs to domains (23.82661s) stopped
T01 << 1462349934.28362012 Blacs Orbital Layouts (1300.20134s) stopped
T01 >> 1462349934.28367805 Calculate projections (1191.25373s) started
T01 << 1462349936.80890012 Calculate projections (1193.77895s) stopped
T01 << 1462349936.80897093 LCAO eigensolver (3790.43651s) stopped
T01 >> 1462349936.80968499 Density (924.51294s) started
T01 >> 1462349936.80969810 Pseudo density (764.10620s) started
T01 >> 1462349936.81010294 Calculate density matrix (686.64321s) started
T01 << 1462349938.38310194 Calculate density matrix (688.21621s) stopped
T01 >> 1462349938.38319802 Construct density (76.38908s) started
T01 << 1462349938.56002498 Construct density (76.56591s) stopped
T01 >> 1462349938.56147695 Symmetrize density (0.01937s) started
T01 << 1462349938.56151199 Symmetrize density (0.01941s) stopped
T01 << 1462349938.56196189 Pseudo density (765.85846s) stopped
T01 >> 1462349938.56198096 Atomic density matrices (106.26367s) started
T01 << 1462349938.80591798 Atomic density matrices (106.50761s) stopped
T01 >> 1462349938.80595899 Multipole moments (1.72020s) started
T01 << 1462349938.81000900 Multipole moments (1.72425s) stopped
T01 >> 1462349938.81003189 Normalize (0.47451s) started
T01 << 1462349938.81117892 Normalize (0.47566s) stopped
T01 >> 1462349938.81121492 Mix (51.91898s) started
T01 << 1462349938.92677212 Mix (52.03454s) stopped
T01 << 1462349938.92687201 Density (926.63013s) stopped
T01 >> 1462349938.92695904 Hamiltonian (10517.33757s) started
T01 >> 1462349938.92697692 vbar (6.20305s) started
T01 << 1462349938.94259691 vbar (6.21867s) stopped
T01 >> 1462349938.94269705 XC 3D grid (4563.67832s) started
T01 >> 1462349939.12391996 van der Waals (4404.68092s) started
T01 >> 1462349939.16844893 semilocal (993.40310s) started
T01 << 1462349941.41249204 semilocal (995.64715s) stopped
T01 >> 1462349941.44373989 redistribute (484.42355s) started
T01 << 1462349941.81374693 redistribute (484.79356s) stopped
T01 >> 1462349941.81381512 libvdwxc nonlocal (2893.16817s) started
T01 << 1462349948.40530992 libvdwxc nonlocal (2899.75967s) stopped
T01 >> 1462349948.40539002 redistribute (484.79359s) started
T01 << 1462349949.05235600 redistribute (485.44056s) stopped
T01 << 1462349949.05350208 van der Waals (4414.61050s) stopped
T01 << 1462349949.23329806 XC 3D grid (4573.96892s) stopped
T01 >> 1462349949.23336101 Poisson (942.28823s) started
T01 << 1462349951.59596610 Poisson (944.65083s) stopped
T01 >> 1462349951.59608793 Hartree integrate/restrict (36.10807s) started
T01 << 1462349951.61309290 Hartree integrate/restrict (36.12507s) stopped
T01 >> 1462349951.61320806 Hartree integrate/restrict (36.12515s) started
T01 << 1462349951.67597604 Hartree integrate/restrict (36.18792s) stopped
T01 >> 1462349951.69922090 Atomic (2820.00222s) started
T01 >> 1462349951.70943403 XC Correction (2814.21906s) started
T01 << 1462349958.06087089 XC Correction (2820.57050s) stopped
T01 << 1462349958.06398392 Atomic (2826.36699s) stopped
T01 >> 1462349958.06413794 Communicate (2139.56760s) started
T01 << 1462349962.79389906 Communicate (2144.29736s) stopped
T01 << 1462349962.79393291 Hamiltonian (10541.20455s) stopped
T01 >> 1462349962.79405308 LCAO eigensolver (3790.43652s) started
T01 >> 1462349962.79406691 Potential matrix (121.46389s) started
T01 << 1462349963.05690694 Potential matrix (121.72673s) stopped
T01 >> 1462349963.05698395 DistributedAtomicCorrection (629.59006s) started
T01 << 1462349964.40193701 DistributedAtomicCorrection (630.93502s) stopped
T01 >> 1462349964.40202188 Distribute overlap matrix (545.00235s) started
T01 >> 1462349964.40204501 blocked summation (516.62667s) started
T01 << 1462349965.51117110 blocked summation (517.73580s) stopped
T01 >> 1462349965.51298094 Scalapack redistribute (27.64377s) started
T01 << 1462349965.57324290 Scalapack redistribute (27.70403s) stopped
T01 << 1462349965.57332301 Distribute overlap matrix (546.17366s) stopped
T01 >> 1462349965.57391691 Blacs Orbital Layouts (1300.20136s) started
T01 >> 1462349965.57547498 General diagonalize (1274.26129s) started
T01 << 1462349968.28834009 General diagonalize (1276.97416s) stopped
T01 >> 1462349968.28840590 Redistribute coefs (1.39644s) started
T01 << 1462349968.29113007 Redistribute coefs (1.39917s) stopped
T01 >> 1462349968.29117703 Send coefs to domains (23.82665s) started
T01 << 1462349968.34476089 Send coefs to domains (23.88024s) stopped
T01 << 1462349968.34519005 Blacs Orbital Layouts (1302.97263s) stopped
T01 >> 1462349968.34524703 Calculate projections (1193.77900s) started
T01 << 1462349970.87064409 Calculate projections (1196.30439s) stopped
T01 << 1462349970.87090802 LCAO eigensolver (3798.51337s) stopped
T01 >> 1462349970.87161207 Density (926.63015s) started
T01 >> 1462349970.87162495 Pseudo density (765.85848s) started
T01 >> 1462349970.87203598 Calculate density matrix (688.21625s) started
T01 << 1462349972.45256996 Calculate density matrix (689.79678s) stopped
T01 >> 1462349972.45266509 Construct density (76.56595s) started
T01 << 1462349972.63000107 Construct density (76.74328s) stopped
T01 >> 1462349972.63140988 Symmetrize density (0.01942s) started
T01 << 1462349972.63144302 Symmetrize density (0.01945s) stopped
T01 << 1462349972.63189602 Pseudo density (767.61875s) stopped
T01 >> 1462349972.63191605 Atomic density matrices (106.50763s) started
T01 << 1462349972.87646198 Atomic density matrices (106.75218s) stopped
T01 >> 1462349972.87650299 Multipole moments (1.72427s) started
T01 << 1462349972.88054204 Multipole moments (1.72831s) stopped
T01 >> 1462349972.88056397 Normalize (0.47568s) started
T01 << 1462349972.88174105 Normalize (0.47686s) stopped
T01 >> 1462349972.88177705 Mix (52.03464s) started
T01 << 1462349973.00122809 Mix (52.15409s) stopped
T01 << 1462349973.00131798 Density (928.75985s) stopped
T01 >> 1462349973.00140500 Hamiltonian (10541.20456s) started
T01 >> 1462349973.00142288 vbar (6.21872s) started
T01 << 1462349973.01689410 vbar (6.23419s) stopped
T01 >> 1462349973.01700401 XC 3D grid (4573.96897s) started
T01 >> 1462349973.19662404 van der Waals (4414.61054s) started
T01 >> 1462349973.24081802 semilocal (995.64722s) started
T01 << 1462349975.46238708 semilocal (997.86879s) stopped
T01 >> 1462349975.49290800 redistribute (485.44061s) started
T01 << 1462349975.86672807 redistribute (485.81443s) stopped
T01 >> 1462349975.86679697 libvdwxc nonlocal (2899.75972s) started
T01 << 1462349982.45969296 libvdwxc nonlocal (2906.35261s) stopped
T01 >> 1462349982.45977592 redistribute (485.81447s) started
T01 << 1462349983.12545109 redistribute (486.48014s) stopped
T01 << 1462349983.12691212 van der Waals (4424.54083s) stopped
T01 << 1462349983.29841995 XC 3D grid (4584.25039s) stopped
T01 >> 1462349983.29846907 Poisson (944.65093s) started
T01 << 1462349985.66959405 Poisson (947.02205s) stopped
T01 >> 1462349985.66967702 Hartree integrate/restrict (36.18796s) started
T01 << 1462349985.68682504 Hartree integrate/restrict (36.20510s) stopped
T01 >> 1462349985.68690491 Hartree integrate/restrict (36.20516s) started
T01 << 1462349985.75137591 Hartree integrate/restrict (36.26964s) stopped
T01 >> 1462349985.77401304 Atomic (2826.36700s) started
T01 >> 1462349985.78425002 XC Correction (2820.57052s) started
T01 << 1462349992.17849398 XC Correction (2826.96477s) stopped
T01 << 1462349992.18159008 Atomic (2832.77458s) stopped
T01 >> 1462349992.18174791 Communicate (2144.29739s) started
T01 << 1462349996.83069611 Communicate (2148.94633s) stopped
T01 << 1462349996.83072996 Hamiltonian (10565.03389s) stopped
T01 >> 1462349996.83084393 LCAO eigensolver (3798.51339s) started
T01 >> 1462349996.83085799 Potential matrix (121.72677s) started
T01 << 1462349997.09166408 Potential matrix (121.98758s) stopped
T01 >> 1462349997.09174109 DistributedAtomicCorrection (630.93506s) started
T01 << 1462349998.45333099 DistributedAtomicCorrection (632.29665s) stopped
T01 >> 1462349998.45341611 Distribute overlap matrix (546.17367s) started
T01 >> 1462349998.45343900 blocked summation (517.73583s) started
T01 << 1462349999.57539701 blocked summation (518.85779s) stopped
T01 >> 1462349999.57720709 Scalapack redistribute (27.70407s) started
T01 << 1462349999.63770103 Scalapack redistribute (27.76456s) stopped
T01 << 1462349999.63778496 Distribute overlap matrix (547.35804s) stopped
T01 >> 1462349999.63838100 Blacs Orbital Layouts (1302.97265s) started
T01 >> 1462349999.63953495 General diagonalize (1276.97420s) started
T01 << 1462350002.34242892 General diagonalize (1279.67709s) stopped
T01 >> 1462350002.34249496 Redistribute coefs (1.39920s) started
T01 << 1462350002.34605598 Redistribute coefs (1.40276s) stopped
T01 >> 1462350002.34610200 Send coefs to domains (23.88028s) started
T01 << 1462350002.39846611 Send coefs to domains (23.93264s) stopped
T01 << 1462350002.39874697 Blacs Orbital Layouts (1305.73302s) stopped
T01 >> 1462350002.39880300 Calculate projections (1196.30444s) started
T01 << 1462350004.92411494 Calculate projections (1198.82975s) stopped
T01 << 1462350004.92437291 LCAO eigensolver (3806.60692s) stopped
T01 >> 1462350004.92507100 Density (928.75987s) started
T01 >> 1462350004.92508411 Pseudo density (767.61876s) started
T01 >> 1462350004.92549109 Calculate density matrix (689.79683s) started
T01 << 1462350006.50503397 Calculate density matrix (691.37637s) stopped
T01 >> 1462350006.50513601 Construct density (76.74332s) started
T01 << 1462350006.68149710 Construct density (76.91968s) stopped
T01 >> 1462350006.68386698 Symmetrize density (0.01946s) started
T01 << 1462350006.68390012 Symmetrize density (0.01950s) stopped
T01 << 1462350006.68434095 Pseudo density (769.37802s) stopped
T01 >> 1462350006.68436003 Atomic density matrices (106.75221s) started
T01 << 1462350006.92973399 Atomic density matrices (106.99758s) stopped
T01 >> 1462350006.92977595 Multipole moments (1.72832s) started
T01 << 1462350006.93381000 Multipole moments (1.73236s) stopped
T01 >> 1462350006.93383193 Normalize (0.47689s) started
T01 << 1462350006.93498206 Normalize (0.47804s) stopped
T01 >> 1462350006.93501806 Mix (52.15418s) started
T01 << 1462350007.05360389 Mix (52.27276s) stopped
T01 << 1462350007.05369210 Density (930.88849s) stopped
T01 >> 1462350007.05378699 Hamiltonian (10565.03390s) started
T01 >> 1462350007.05380607 vbar (6.23426s) started
T01 << 1462350007.06933594 vbar (6.24979s) stopped
T01 >> 1462350007.06945205 XC 3D grid (4584.25042s) started
T01 >> 1462350007.24942994 van der Waals (4424.54089s) started
T01 >> 1462350007.29323912 semilocal (997.86890s) started
T01 << 1462350009.52998710 semilocal (1000.10564s) stopped
T01 >> 1462350009.56129193 redistribute (486.48027s) started
T01 << 1462350009.93864894 redistribute (486.85763s) stopped
T01 >> 1462350009.93871999 libvdwxc nonlocal (2906.35267s) started
T01 << 1462350016.49178004 libvdwxc nonlocal (2912.90573s) stopped
T01 >> 1462350016.49185491 redistribute (486.85767s) started
T01 << 1462350017.15485501 redistribute (487.52067s) stopped
T01 << 1462350017.15635610 van der Waals (4434.44782s) stopped
T01 << 1462350017.32939601 XC 3D grid (4594.51037s) stopped
T01 >> 1462350017.32944107 Poisson (947.02211s) started
T01 << 1462350019.69800305 Poisson (949.39067s) stopped
T01 >> 1462350019.69811893 Hartree integrate/restrict (36.26967s) started
T01 << 1462350019.71527600 Hartree integrate/restrict (36.28682s) stopped
T01 >> 1462350019.71536207 Hartree integrate/restrict (36.28689s) started
T01 << 1462350019.78469896 Hartree integrate/restrict (36.35623s) stopped
T01 >> 1462350019.80286002 Atomic (2832.77460s) started
T01 >> 1462350019.81317997 XC Correction (2826.96479s) started
T01 << 1462350026.21221805 XC Correction (2833.36383s) stopped
T01 << 1462350026.21534991 Atomic (2839.18709s) stopped
T01 >> 1462350026.21550298 Communicate (2148.94636s) started
T01 << 1462350031.04776692 Communicate (2153.77862s) stopped
T01 << 1462350031.04780197 Hamiltonian (10589.02792s) stopped
T01 >> 1462350031.04792094 LCAO eigensolver (3806.60694s) started
T01 >> 1462350031.04793596 Potential matrix (121.98762s) started
T01 << 1462350031.31120491 Potential matrix (122.25089s) stopped
T01 >> 1462350031.31128192 DistributedAtomicCorrection (632.29668s) started
T01 << 1462350032.68122697 DistributedAtomicCorrection (633.66663s) stopped
T01 >> 1462350032.68131495 Distribute overlap matrix (547.35805s) started
T01 >> 1462350032.68133712 blocked summation (518.85783s) started
T01 << 1462350033.77078891 blocked summation (519.94728s) stopped
T01 >> 1462350033.77261901 Scalapack redistribute (27.76460s) started
T01 << 1462350033.83149004 Scalapack redistribute (27.82347s) stopped
T01 << 1462350033.83157396 Distribute overlap matrix (548.50831s) stopped
T01 >> 1462350033.83217192 Blacs Orbital Layouts (1305.73303s) started
T01 >> 1462350033.83333802 General diagonalize (1279.67713s) started
T01 << 1462350036.55252004 General diagonalize (1282.39631s) stopped
T01 >> 1462350036.55258608 Redistribute coefs (1.40280s) started
T01 << 1462350036.55635691 Redistribute coefs (1.40657s) stopped
T01 >> 1462350036.55640697 Send coefs to domains (23.93268s) started
T01 << 1462350036.60873795 Send coefs to domains (23.98502s) stopped
T01 << 1462350036.60905695 Blacs Orbital Layouts (1308.50992s) stopped
T01 >> 1462350036.60911298 Calculate projections (1198.82980s) started
T01 << 1462350039.13439012 Calculate projections (1201.35508s) stopped
T01 << 1462350039.13464808 LCAO eigensolver (3814.69367s) stopped
T01 >> 1462350039.13536692 Density (930.88851s) started
T01 >> 1462350039.13538003 Pseudo density (769.37803s) started
T01 >> 1462350039.13578892 Calculate density matrix (691.37642s) started
T01 << 1462350040.71476698 Calculate density matrix (692.95540s) stopped
T01 >> 1462350040.71486092 Construct density (76.91971s) started
T01 << 1462350040.89193606 Construct density (77.09679s) stopped
T01 >> 1462350040.89426708 Symmetrize density (0.01951s) started
T01 << 1462350040.89429998 Symmetrize density (0.01954s) stopped
T01 << 1462350040.89475107 Pseudo density (771.13740s) stopped
T01 >> 1462350040.89476991 Atomic density matrices (106.99761s) started
T01 << 1462350041.13929701 Atomic density matrices (107.24214s) stopped
T01 >> 1462350041.13933802 Multipole moments (1.73237s) started
T01 << 1462350041.14337206 Multipole moments (1.73640s) stopped
T01 >> 1462350041.14339495 Normalize (0.47806s) started
T01 << 1462350041.14453506 Normalize (0.47920s) stopped
T01 >> 1462350041.14457011 Mix (52.27285s) started
T01 << 1462350041.26587510 Mix (52.39415s) stopped
T01 << 1462350041.26595497 Density (933.01910s) stopped
T01 >> 1462350041.26605296 Hamiltonian (10589.02793s) started
T01 >> 1462350041.26607108 vbar (6.24986s) started
T01 << 1462350041.28146505 vbar (6.26526s) stopped
T01 >> 1462350041.28153801 XC 3D grid (4594.51040s) started
T01 >> 1462350041.46067691 van der Waals (4434.44787s) started
T01 >> 1462350041.50592089 semilocal (1000.10571s) started
T01 << 1462350043.74306703 semilocal (1002.34286s) stopped
T01 >> 1462350043.77614808 redistribute (487.52073s) started
T01 << 1462350044.15137100 redistribute (487.89596s) stopped
T01 >> 1462350044.15144110 libvdwxc nonlocal (2912.90578s) started
T01 << 1462350050.71629095 libvdwxc nonlocal (2919.47063s) stopped
T01 >> 1462350050.71637011 redistribute (487.89600s) started
T01 << 1462350051.37594008 redistribute (488.55557s) stopped
T01 << 1462350051.37784100 van der Waals (4444.36503s) stopped
T01 << 1462350051.54910994 XC 3D grid (4604.77797s) stopped
T01 >> 1462350051.54917097 Poisson (949.39076s) started
T01 << 1462350053.92156100 Poisson (951.76315s) stopped
T01 >> 1462350053.92167091 Hartree integrate/restrict (36.35626s) started
T01 << 1462350053.93864703 Hartree integrate/restrict (36.37323s) stopped
T01 >> 1462350053.93876600 Hartree integrate/restrict (36.37332s) started
T01 << 1462350054.00785708 Hartree integrate/restrict (36.44241s) stopped
T01 >> 1462350054.02306199 Atomic (2839.18711s) started
T01 >> 1462350054.03341389 XC Correction (2833.36385s) started
T01 << 1462350060.42697406 XC Correction (2839.75741s) stopped
T01 << 1462350060.43009996 Atomic (2845.59414s) stopped
T01 >> 1462350060.43025398 Communicate (2153.77865s) started
T01 << 1462350065.18814397 Communicate (2158.53654s) stopped
T01 << 1462350065.18817902 Hamiltonian (10612.95006s) stopped
T01 >> 1462350065.18830109 LCAO eigensolver (3814.69369s) started
T01 >> 1462350065.18831611 Potential matrix (122.25093s) started
T01 << 1462350065.44884992 Potential matrix (122.51146s) stopped
T01 >> 1462350065.44892311 DistributedAtomicCorrection (633.66667s) started
T01 << 1462350066.81078792 DistributedAtomicCorrection (635.02853s) stopped
T01 >> 1462350066.81087589 Distribute overlap matrix (548.50832s) started
T01 >> 1462350066.81089807 blocked summation (519.94732s) started
T01 << 1462350067.91485000 blocked summation (521.05127s) stopped
T01 >> 1462350067.91656995 Scalapack redistribute (27.82351s) started
T01 << 1462350067.97715306 Scalapack redistribute (27.88409s) stopped
T01 << 1462350067.97723508 Distribute overlap matrix (549.67468s) stopped
T01 >> 1462350067.97783089 Blacs Orbital Layouts (1308.50994s) started
T01 >> 1462350067.97897911 General diagonalize (1282.39635s) started
T01 << 1462350070.67642689 General diagonalize (1285.09380s) stopped
T01 >> 1462350070.67647791 Redistribute coefs (1.40661s) started
T01 << 1462350070.68036509 Redistribute coefs (1.41050s) stopped
T01 >> 1462350070.68040991 Send coefs to domains (23.98506s) started
T01 << 1462350070.73317194 Send coefs to domains (24.03782s) stopped
T01 << 1462350070.73345399 Blacs Orbital Layouts (1311.26556s) stopped
T01 >> 1462350070.73350811 Calculate projections (1201.35512s) started
T01 << 1462350073.25890398 Calculate projections (1203.88052s) stopped
T01 << 1462350073.25916290 LCAO eigensolver (3822.76455s) stopped
T01 >> 1462350073.25988102 Density (933.01911s) started
T01 >> 1462350073.25989294 Pseudo density (771.13742s) started
T01 >> 1462350073.26029992 Calculate density matrix (692.95544s) started
T01 << 1462350074.83372808 Calculate density matrix (694.52887s) stopped
T01 >> 1462350074.83381891 Construct density (77.09682s) started
T01 << 1462350075.01061893 Construct density (77.27362s) stopped
T01 >> 1462350075.01293802 Symmetrize density (0.01955s) started
T01 << 1462350075.01297212 Symmetrize density (0.01959s) stopped
T01 << 1462350075.01341105 Pseudo density (772.89093s) stopped
T01 >> 1462350075.01343012 Atomic density matrices (107.24217s) started
T01 << 1462350075.25697303 Atomic density matrices (107.48571s) stopped
T01 >> 1462350075.25701404 Multipole moments (1.73642s) started
T01 << 1462350075.26110005 Multipole moments (1.74051s) stopped
T01 >> 1462350075.26112294 Normalize (0.47923s) started
T01 << 1462350075.26226902 Normalize (0.48038s) stopped
T01 >> 1462350075.26230502 Mix (52.39423s) started
T01 << 1462350075.38376808 Mix (52.51569s) stopped
T01 << 1462350075.38384891 Density (935.14308s) stopped
T01 >> 1462350075.38394403 Hamiltonian (10612.95007s) started
T01 >> 1462350075.38396406 vbar (6.26530s) started
T01 << 1462350075.39892101 vbar (6.28026s) stopped
T01 >> 1462350075.39903593 XC 3D grid (4604.77802s) started
T01 >> 1462350075.57422709 van der Waals (4444.36514s) started
T01 >> 1462350075.61837602 semilocal (1002.34290s) started
T01 << 1462350077.85446000 semilocal (1004.57899s) stopped
T01 >> 1462350077.88448000 redistribute (488.55570s) started
T01 << 1462350078.25871396 redistribute (488.92994s) stopped
T01 >> 1462350078.25878096 libvdwxc nonlocal (2919.47068s) started
T01 << 1462350084.82827711 libvdwxc nonlocal (2926.04018s) stopped
T01 >> 1462350084.82836795 redistribute (488.92998s) started
T01 << 1462350085.49208307 redistribute (489.59369s) stopped
T01 << 1462350085.49318600 van der Waals (4454.28410s) stopped
T01 << 1462350085.66373491 XC 3D grid (4615.04272s) stopped
T01 >> 1462350085.66378403 Poisson (951.76324s) started
T01 << 1462350087.45654106 Poisson (953.55599s) stopped
T01 >> 1462350087.45669508 Hartree integrate/restrict (36.44245s) started
T01 << 1462350087.47387505 Hartree integrate/restrict (36.45963s) stopped
T01 >> 1462350087.47393703 Hartree integrate/restrict (36.45967s) started
T01 << 1462350087.53837895 Hartree integrate/restrict (36.52411s) stopped
T01 >> 1462350087.55714393 Atomic (2845.59416s) started
T01 >> 1462350087.56751394 XC Correction (2839.75744s) started
T01 << 1462350093.96469307 XC Correction (2846.15462s) stopped
T01 << 1462350093.96781397 Atomic (2852.00483s) stopped
T01 >> 1462350093.96796799 Communicate (2158.53656s) started
T01 << 1462350098.78972006 Communicate (2163.35831s) stopped
T01 << 1462350098.78975606 Hamiltonian (10636.35588s) stopped
T01 >> 1462350098.78987908 LCAO eigensolver (3822.76457s) started
T01 >> 1462350098.78989410 Potential matrix (122.51150s) started
T01 << 1462350099.05487895 Potential matrix (122.77649s) stopped
T01 >> 1462350099.05495501 DistributedAtomicCorrection (635.02857s) started
T01 << 1462350100.41360998 DistributedAtomicCorrection (636.38722s) stopped
T01 >> 1462350100.41370106 Distribute overlap matrix (549.67469s) started
T01 >> 1462350100.41372490 blocked summation (521.05131s) started
T01 << 1462350101.53358698 blocked summation (522.17117s) stopped
T01 >> 1462350101.53539109 Scalapack redistribute (27.88413s) started
T01 << 1462350101.59455395 Scalapack redistribute (27.94329s) stopped
T01 << 1462350101.59463692 Distribute overlap matrix (550.85563s) stopped
T01 >> 1462350101.59523702 Blacs Orbital Layouts (1311.26558s) started
T01 >> 1462350101.59638309 General diagonalize (1285.09384s) started
T01 << 1462350104.30448103 General diagonalize (1287.80193s) stopped
T01 >> 1462350104.30454803 Redistribute coefs (1.41053s) started
T01 << 1462350104.30828500 Redistribute coefs (1.41427s) stopped
T01 >> 1462350104.30833292 Send coefs to domains (24.03787s) started
T01 << 1462350104.36140800 Send coefs to domains (24.09094s) stopped
T01 << 1462350104.36170197 Blacs Orbital Layouts (1314.03204s) stopped
T01 >> 1462350104.36175990 Calculate projections (1203.88056s) started
T01 << 1462350106.88718891 Calculate projections (1206.40599s) stopped
T01 << 1462350106.88745189 LCAO eigensolver (3830.86214s) stopped
T01 >> 1462350106.88817406 Density (935.14310s) started
T01 >> 1462350106.88818693 Pseudo density (772.89095s) started
T01 >> 1462350106.88859010 Calculate density matrix (694.52891s) started
T01 << 1462350108.46278405 Calculate density matrix (696.10311s) stopped
T01 >> 1462350108.46287608 Construct density (77.27366s) started
T01 << 1462350108.63916612 Construct density (77.44995s) stopped
T01 >> 1462350108.64151597 Symmetrize density (0.01960s) started
T01 << 1462350108.64154911 Symmetrize density (0.01963s) stopped
T01 << 1462350108.64199495 Pseudo density (774.64476s) stopped
T01 >> 1462350108.64201498 Atomic density matrices (107.48574s) started
T01 << 1462350108.88728404 Atomic density matrices (107.73101s) stopped
T01 >> 1462350108.88732505 Multipole moments (1.74052s) started
T01 << 1462350108.89139104 Multipole moments (1.74459s) stopped
T01 >> 1462350108.89141297 Normalize (0.48040s) started
T01 << 1462350108.89255905 Normalize (0.48155s) stopped
T01 >> 1462350108.89259505 Mix (52.51577s) started
T01 << 1462350109.01168394 Mix (52.63486s) stopped
T01 << 1462350109.01177406 Density (937.26670s) stopped
T01 >> 1462350109.01186705 Hamiltonian (10636.35590s) started
T01 >> 1462350109.01188707 vbar (6.28033s) started
T01 << 1462350109.02762794 vbar (6.29607s) stopped
T01 >> 1462350109.02774000 XC 3D grid (4615.04276s) started
T01 >> 1462350109.20090604 van der Waals (4454.28414s) started
T01 >> 1462350109.24626303 semilocal (1004.57905s) started
T01 << 1462350111.47442794 semilocal (1006.80722s) stopped
T01 >> 1462350111.50571609 redistribute (489.59376s) started
T01 << 1462350111.88216496 redistribute (489.97021s) stopped
T01 >> 1462350111.88223410 libvdwxc nonlocal (2926.04024s) started
T01 << 1462350118.45961189 libvdwxc nonlocal (2932.61762s) stopped
T01 >> 1462350118.45969391 redistribute (489.97025s) started
T01 << 1462350119.12188196 redistribute (490.63244s) stopped
T01 << 1462350119.12311006 van der Waals (4464.20635s) stopped
T01 << 1462350119.29367399 XC 3D grid (4625.30869s) stopped
T01 >> 1462350119.29372096 Poisson (953.55613s) started
T01 << 1462350121.08132410 Poisson (955.34373s) stopped
T01 >> 1462350121.08143497 Hartree integrate/restrict (36.52414s) started
T01 << 1462350121.09847403 Hartree integrate/restrict (36.54118s) stopped
T01 >> 1462350121.09858608 Hartree integrate/restrict (36.54127s) started
T01 << 1462350121.16231894 Hartree integrate/restrict (36.60500s) stopped
T01 >> 1462350121.18202901 Atomic (2852.00485s) started
T01 >> 1462350121.19248509 XC Correction (2846.15464s) started
T01 << 1462350127.59561205 XC Correction (2852.55777s) stopped
T01 << 1462350127.59875488 Atomic (2858.42157s) stopped
T01 >> 1462350127.59890389 Communicate (2163.35833s) started
T01 << 1462350132.35642791 Communicate (2168.11586s) stopped
T01 << 1462350132.35646510 Hamiltonian (10659.70049s) stopped
T01 >> 1462350132.35658693 LCAO eigensolver (3830.86216s) started
T01 >> 1462350132.35660100 Potential matrix (122.77653s) started
T01 << 1462350132.61973906 Potential matrix (123.03967s) stopped
T01 >> 1462350132.61981511 DistributedAtomicCorrection (636.38726s) started
T01 << 1462350133.98026109 DistributedAtomicCorrection (637.74771s) stopped
T01 >> 1462350133.98034692 Distribute overlap matrix (550.85564s) started
T01 >> 1462350133.98036909 blocked summation (522.17121s) started
T01 << 1462350135.10876799 blocked summation (523.29961s) stopped
T01 >> 1462350135.11051106 Scalapack redistribute (27.94333s) started
T01 << 1462350135.16983294 Scalapack redistribute (28.00265s) stopped
T01 << 1462350135.16991711 Distribute overlap matrix (552.04521s) stopped
T01 >> 1462350135.17050600 Blacs Orbital Layouts (1314.03206s) started
T01 >> 1462350135.17164612 General diagonalize (1287.80197s) started
T01 << 1462350137.85998201 General diagonalize (1290.49031s) stopped
T01 >> 1462350137.86004806 Redistribute coefs (1.41431s) started
T01 << 1462350137.86364388 Redistribute coefs (1.41790s) stopped
T01 >> 1462350137.86369491 Send coefs to domains (24.09099s) started
T01 << 1462350137.91587710 Send coefs to domains (24.14317s) stopped
T01 << 1462350137.91614103 Blacs Orbital Layouts (1316.77770s) stopped
T01 >> 1462350137.91619897 Calculate projections (1206.40604s) started
T01 << 1462350140.44134092 Calculate projections (1208.93118s) stopped
T01 << 1462350140.44159794 LCAO eigensolver (3838.94717s) stopped
T01 >> 1462350140.44231606 Density (937.26671s) started
T01 >> 1462350140.44232893 Pseudo density (774.64477s) started
T01 >> 1462350140.44273996 Calculate density matrix (696.10315s) started
T01 << 1462350142.00894809 Calculate density matrix (697.66936s) stopped
T01 >> 1462350142.00903606 Construct density (77.44998s) started
T01 << 1462350142.18618798 Construct density (77.62713s) stopped
T01 >> 1462350142.18852806 Symmetrize density (0.01964s) started
T01 << 1462350142.18856192 Symmetrize density (0.01967s) stopped
T01 << 1462350142.18900800 Pseudo density (776.39145s) stopped
T01 >> 1462350142.18902802 Atomic density matrices (107.73103s) started
T01 << 1462350142.43280697 Atomic density matrices (107.97481s) stopped
T01 >> 1462350142.43284893 Multipole moments (1.74460s) started
T01 << 1462350142.43692207 Multipole moments (1.74868s) stopped
T01 >> 1462350142.43694401 Normalize (0.48157s) started
T01 << 1462350142.43809104 Normalize (0.48272s) stopped
T01 >> 1462350142.43812490 Mix (52.63494s) started
T01 << 1462350142.55900002 Mix (52.75582s) stopped
T01 << 1462350142.55908489 Density (939.38348s) stopped
T01 >> 1462350142.55918503 Hamiltonian (10659.70051s) started
T01 >> 1462350142.55920506 vbar (6.29613s) started
T01 << 1462350142.57450604 vbar (6.31143s) stopped
T01 >> 1462350142.57458210 XC 3D grid (4625.30873s) started
T01 >> 1462350142.75680089 van der Waals (4464.20640s) started
T01 >> 1462350142.80082703 semilocal (1006.80729s) started
T01 << 1462350145.02692103 semilocal (1009.03338s) stopped
T01 >> 1462350145.05838704 redistribute (490.63248s) started
T01 << 1462350145.43698502 redistribute (491.01108s) stopped
T01 >> 1462350145.43705297 libvdwxc nonlocal (2932.61767s) started
T01 << 1462350151.98822188 libvdwxc nonlocal (2939.16884s) stopped
T01 >> 1462350151.98829794 redistribute (491.01112s) started
T01 << 1462350152.65190506 redistribute (491.67473s) stopped
T01 << 1462350152.65317512 van der Waals (4474.10277s) stopped
T01 << 1462350152.82639098 XC 3D grid (4635.56054s) stopped
T01 >> 1462350152.82645202 Poisson (955.34382s) started
T01 << 1462350154.61647892 Poisson (957.13385s) stopped
T01 >> 1462350154.61658812 Hartree integrate/restrict (36.60503s) started
T01 << 1462350154.63346696 Hartree integrate/restrict (36.62191s) stopped
T01 >> 1462350154.63359809 Hartree integrate/restrict (36.62200s) started
T01 << 1462350154.70254111 Hartree integrate/restrict (36.69095s) stopped
T01 >> 1462350154.72154307 Atomic (2858.42159s) started
T01 >> 1462350154.73199701 XC Correction (2852.55779s) started
T01 << 1462350161.10183096 XC Correction (2858.92763s) stopped
T01 << 1462350161.10499597 Atomic (2864.80504s) stopped
T01 >> 1462350161.10515404 Communicate (2168.11588s) started
T01 << 1462350166.00932288 Communicate (2173.02005s) stopped
T01 << 1462350166.00935793 Hamiltonian (10683.15068s) stopped
T01 >> 1462350166.00947905 LCAO eigensolver (3838.94719s) started
T01 >> 1462350166.00949407 Potential matrix (123.03971s) started
T01 << 1462350166.27100897 Potential matrix (123.30123s) stopped
T01 >> 1462350166.27108407 DistributedAtomicCorrection (637.74774s) started
T01 << 1462350167.63358498 DistributedAtomicCorrection (639.11025s) stopped
T01 >> 1462350167.63367605 Distribute overlap matrix (552.04522s) started
T01 >> 1462350167.63369894 blocked summation (523.29965s) started
T01 << 1462350168.75752902 blocked summation (524.42348s) stopped
T01 >> 1462350168.75936604 Scalapack redistribute (28.00269s) started
T01 << 1462350168.81825399 Scalapack redistribute (28.06158s) stopped
T01 << 1462350168.81833696 Distribute overlap matrix (553.22988s) stopped
T01 >> 1462350168.81892610 Blacs Orbital Layouts (1316.77771s) started
T01 >> 1462350168.82012105 General diagonalize (1290.49035s) started
T01 << 1462350171.53872705 General diagonalize (1293.20895s) stopped
T01 >> 1462350171.53879404 Redistribute coefs (1.41794s) started
T01 << 1462350171.54253006 Redistribute coefs (1.42168s) stopped
T01 >> 1462350171.54257989 Send coefs to domains (24.14322s) started
T01 << 1462350171.59469509 Send coefs to domains (24.19533s) stopped
T01 << 1462350171.59500909 Blacs Orbital Layouts (1319.55380s) stopped
T01 >> 1462350171.59506202 Calculate projections (1208.93122s) started
T01 << 1462350174.12034297 Calculate projections (1211.45651s) stopped
T01 << 1462350174.12059999 LCAO eigensolver (3847.05831s) stopped
T01 >> 1462350174.12131310 Density (939.38350s) started
T01 >> 1462350174.12132597 Pseudo density (776.39147s) started
T01 >> 1462350174.12173891 Calculate density matrix (697.66940s) started
T01 << 1462350175.69441700 Calculate density matrix (699.24208s) stopped
T01 >> 1462350175.69450903 Construct density (77.62717s) started
T01 << 1462350175.87144399 Construct density (77.80410s) stopped
T01 >> 1462350175.87377810 Symmetrize density (0.01969s) started
T01 << 1462350175.87381101 Symmetrize density (0.01972s) stopped
T01 << 1462350175.87424898 Pseudo density (778.14439s) stopped
T01 >> 1462350175.87426805 Atomic density matrices (107.97484s) started
T01 << 1462350176.11755300 Atomic density matrices (108.21813s) stopped
T01 >> 1462350176.11759305 Multipole moments (1.74869s) started
T01 << 1462350176.12170911 Multipole moments (1.75281s) stopped
T01 >> 1462350176.12173200 Normalize (0.48275s) started
T01 << 1462350176.12288690 Normalize (0.48390s) stopped
T01 >> 1462350176.12292290 Mix (52.75590s) started
T01 << 1462350176.24281502 Mix (52.87579s) stopped
T01 << 1462350176.24286604 Density (941.50505s) stopped
T01 >> 1462350176.24295402 Hamiltonian (10683.15069s) started
T01 >> 1462350176.24297404 vbar (6.31148s) started
T01 << 1462350176.25836611 vbar (6.32687s) stopped
T01 >> 1462350176.25843310 XC 3D grid (4635.56059s) started
T01 >> 1462350176.43325806 van der Waals (4474.10280s) started
T01 >> 1462350176.47826409 semilocal (1009.03348s) started
T01 << 1462350178.69772005 semilocal (1011.25293s) stopped
T01 >> 1462350178.73005009 redistribute (491.67480s) started
T01 << 1462350179.12420392 redistribute (492.06896s) stopped
T01 >> 1462350179.12427092 libvdwxc nonlocal (2939.16889s) started
T01 << 1462350185.70398688 libvdwxc nonlocal (2945.74861s) stopped
T01 >> 1462350185.70407295 redistribute (492.06899s) started
T01 << 1462350186.36621809 redistribute (492.73114s) stopped
T01 << 1462350186.36771703 van der Waals (4484.03726s) stopped
T01 << 1462350186.53974104 XC 3D grid (4645.84189s) stopped
T01 >> 1462350186.53978801 Poisson (957.13393s) started
T01 << 1462350188.32812095 Poisson (958.92226s) stopped
T01 >> 1462350188.32820392 Hartree integrate/restrict (36.69102s) started
T01 << 1462350188.34546804 Hartree integrate/restrict (36.70828s) stopped
T01 >> 1462350188.34554791 Hartree integrate/restrict (36.70834s) started
T01 << 1462350188.41011691 Hartree integrate/restrict (36.77291s) stopped
T01 >> 1462350188.43126607 Atomic (2864.80506s) started
T01 >> 1462350188.44174194 XC Correction (2858.92765s) started
T01 << 1462350194.80249810 XC Correction (2865.28841s) stopped
T01 << 1462350194.80564308 Atomic (2871.17944s) stopped
T01 >> 1462350194.80579996 Communicate (2173.02008s) started
T01 << 1462350199.72304392 Communicate (2177.93732s) stopped
T01 << 1462350199.72307801 Hamiltonian (10706.63082s) stopped
T01 >> 1462350199.72320008 LCAO eigensolver (3847.05833s) started
T01 >> 1462350199.72321391 Potential matrix (123.30127s) started
T01 << 1462350199.98490596 Potential matrix (123.56296s) stopped
T01 >> 1462350199.98498201 DistributedAtomicCorrection (639.11028s) started
T01 << 1462350201.35644388 DistributedAtomicCorrection (640.48175s) stopped
T01 >> 1462350201.35652804 Distribute overlap matrix (553.22989s) started
T01 >> 1462350201.35655093 blocked summation (524.42352s) started
T01 << 1462350202.49041009 blocked summation (525.55738s) stopped
T01 >> 1462350202.49210691 Scalapack redistribute (28.06161s) started
T01 << 1462350202.55233192 Scalapack redistribute (28.12184s) stopped
T01 << 1462350202.55241394 Distribute overlap matrix (554.42578s) stopped
T01 >> 1462350202.55302596 Blacs Orbital Layouts (1319.55381s) started
T01 >> 1462350202.55417204 General diagonalize (1293.20899s) started
T01 << 1462350205.26290894 General diagonalize (1295.91773s) stopped
T01 >> 1462350205.26297593 Redistribute coefs (1.42172s) started
T01 << 1462350205.26682496 Redistribute coefs (1.42557s) stopped
T01 >> 1462350205.26687193 Send coefs to domains (24.19537s) started
T01 << 1462350205.31973290 Send coefs to domains (24.24823s) stopped
T01 << 1462350205.32002306 Blacs Orbital Layouts (1322.32081s) stopped
T01 >> 1462350205.32007289 Calculate projections (1211.45655s) started
T01 << 1462350207.84527993 Calculate projections (1213.98176s) stopped
T01 << 1462350207.84553909 LCAO eigensolver (3855.18067s) stopped
T01 >> 1462350207.84625602 Density (941.50506s) started
T01 >> 1462350207.84626889 Pseudo density (778.14440s) started
T01 >> 1462350207.84668112 Calculate density matrix (699.24213s) started
T01 << 1462350209.42534089 Calculate density matrix (700.82079s) stopped
T01 >> 1462350209.42543411 Construct density (77.80414s) started
T01 << 1462350209.60172391 Construct density (77.98043s) stopped
T01 >> 1462350209.60408998 Symmetrize density (0.01973s) started
T01 << 1462350209.60412312 Symmetrize density (0.01976s) stopped
T01 << 1462350209.60456204 Pseudo density (779.90270s) stopped
T01 >> 1462350209.60458112 Atomic density matrices (108.21815s) started
T01 << 1462350209.84901404 Atomic density matrices (108.46259s) stopped
T01 >> 1462350209.84905601 Multipole moments (1.75282s) started
T01 << 1462350209.85317206 Multipole moments (1.75694s) stopped
T01 >> 1462350209.85319400 Normalize (0.48393s) started
T01 << 1462350209.85433292 Normalize (0.48507s) stopped
T01 >> 1462350209.85440397 Mix (52.87584s) started
T01 << 1462350209.97542691 Mix (52.99686s) stopped
T01 << 1462350209.97550702 Density (943.63431s) stopped
T01 >> 1462350209.97560000 Hamiltonian (10706.63083s) started
T01 >> 1462350209.97562003 vbar (6.32691s) started
T01 << 1462350209.99088812 vbar (6.34218s) stopped
T01 >> 1462350209.99095798 XC 3D grid (4645.84193s) started
T01 >> 1462350210.16995597 van der Waals (4484.03732s) started
T01 >> 1462350210.21424103 semilocal (1011.25303s) started
T01 << 1462350212.44785190 semilocal (1013.48664s) stopped
T01 >> 1462350212.47782803 redistribute (492.73122s) started
T01 << 1462350212.85705495 redistribute (493.11045s) stopped
T01 >> 1462350212.85712290 libvdwxc nonlocal (2945.74867s) started
T01 << 1462350219.46598005 libvdwxc nonlocal (2952.35752s) stopped
T01 >> 1462350219.46605492 redistribute (493.11049s) started
T01 << 1462350220.12273908 redistribute (493.76717s) stopped
T01 << 1462350220.12400389 van der Waals (4493.99137s) stopped
T01 << 1462350220.30122709 XC 3D grid (4656.15220s) stopped
T01 >> 1462350220.30127597 Poisson (958.92232s) started
T01 << 1462350221.50515389 Poisson (960.12620s) stopped
T01 >> 1462350221.50526595 Hartree integrate/restrict (36.77294s) started
T01 << 1462350221.52236509 Hartree integrate/restrict (36.79004s) stopped
T01 >> 1462350221.52245903 Hartree integrate/restrict (36.79011s) started
T01 << 1462350221.58579111 Hartree integrate/restrict (36.85344s) stopped
T01 >> 1462350221.60922003 Atomic (2871.17946s) started
T01 >> 1462350221.61973310 XC Correction (2865.28843s) started
T01 << 1462350228.01008606 XC Correction (2871.67879s) stopped
T01 << 1462350228.01323009 Atomic (2877.58347s) stopped
T01 >> 1462350228.01338506 Communicate (2177.93734s) started
T01 << 1462350232.84479690 Communicate (2182.76876s) stopped
T01 << 1462350232.84483099 Hamiltonian (10729.50006s) stopped
T01 >> 1462350232.84495211 LCAO eigensolver (3855.18069s) started
T01 >> 1462350232.84496689 Potential matrix (123.56300s) started
T01 << 1462350233.10736203 Potential matrix (123.82539s) stopped
T01 >> 1462350233.10743809 DistributedAtomicCorrection (640.48178s) started
T01 << 1462350234.48068810 DistributedAtomicCorrection (641.85503s) stopped
T01 >> 1462350234.48077512 Distribute overlap matrix (554.42579s) started
T01 >> 1462350234.48079801 blocked summation (525.55741s) started
T01 << 1462350235.60561800 blocked summation (526.68223s) stopped
T01 >> 1462350235.60734010 Scalapack redistribute (28.12188s) started
T01 << 1462350235.66753292 Scalapack redistribute (28.18207s) stopped
T01 << 1462350235.66761708 Distribute overlap matrix (555.61263s) stopped
T01 >> 1462350235.66821194 Blacs Orbital Layouts (1322.32083s) started
T01 >> 1462350235.66977501 General diagonalize (1295.91777s) started
T01 << 1462350238.40325999 General diagonalize (1298.65125s) stopped
T01 >> 1462350238.40332603 Redistribute coefs (1.42560s) started
T01 << 1462350238.40666699 Redistribute coefs (1.42895s) stopped
T01 >> 1462350238.40671396 Send coefs to domains (24.24828s) started
T01 << 1462350238.45920205 Send coefs to domains (24.30077s) stopped
T01 << 1462350238.45963001 Blacs Orbital Layouts (1325.11225s) stopped
T01 >> 1462350238.45968604 Calculate projections (1213.98180s) started
T01 << 1462350240.98494506 Calculate projections (1216.50706s) stopped
T01 << 1462350240.98520899 LCAO eigensolver (3863.32094s) stopped
T01 << 1462350240.98592305 SCF-cycle (15536.85495s) stopped
T01 >> 1462350241.86581993 Force calculation (788.01870s) started
T01 >> 1462350241.86587906 LCAO forces (494.96193s) started
T01 >> 1462350241.86623096 Initial (0.00060s) started
T01 << 1462350241.86624193 Initial (0.00061s) stopped
T01 >> 1462350241.87045598 Get density matrix (96.24883s) started
T01 << 1462350242.47353601 Get density matrix (96.85191s) stopped
T01 >> 1462350242.47360611 Potential (35.44220s) started
T01 << 1462350243.87892699 Potential (36.84752s) stopped
T01 >> 1462350243.87899399 Get density matrix (96.85195s) started
T01 << 1462350247.09236002 Get density matrix (100.06532s) stopped
T01 >> 1462350247.09247994 Prepare TCI loop (49.33035s) started
T01 >> 1462350247.09292507 Get neighbors (44.70449s) started
T01 << 1462350248.92965388 Get neighbors (46.54122s) stopped
T01 >> 1462350248.92987299 broadcast dH (4.60822s) started
T01 << 1462350249.03396511 broadcast dH (4.71232s) stopped
T01 << 1462350249.03401089 Prepare TCI loop (51.27188s) stopped
T01 >> 1462350249.03402901 Not so complicated loop (69.59345s) started
T01 << 1462350251.74612498 Not so complicated loop (72.30554s) stopped
T01 >> 1462350251.87515807 Complicated loop (240.88119s) started
T01 << 1462350261.34471893 Complicated loop (250.35075s) stopped
T01 >> 1462350261.35614300 Wait for sum (0.00144s) started
T01 << 1462350261.35618210 Wait for sum (0.00147s) stopped
T01 << 1462350261.35619402 LCAO forces (514.45225s) stopped
T01 << 1462350274.36045289 Force calculation (820.51333s) stopped
T01 >> 1462350274.37812090 Initialization (1346.32793s) started
T01 << 1462350274.37830210 Initialization (1346.32811s) stopped
T01 >> 1462350274.37860703 Initialization (1346.32813s) started
T01 << 1462350274.37874389 Initialization (1346.32826s) stopped
T01 >> 1462350274.37888002 Initialization (1346.32828s) started
T01 << 1462350274.37900996 Initialization (1346.32841s) stopped
T01 >> 1462350294.77048707 Initialization (1346.32843s) started
T01 >> 1462350294.82390809 Basic WFS set positions (2.59010s) started
T01 >> 1462350294.82393503 Redistribute (0.03876s) started
T01 << 1462350294.82924390 Redistribute (0.04407s) stopped
T01 << 1462350294.92409992 Basic WFS set positions (2.69029s) stopped
T01 >> 1462350294.92413092 Basis functions set positions (11.19727s) started
T01 << 1462350295.33226204 Basis functions set positions (11.60540s) stopped
T01 >> 1462350295.33366394 TCI: Calculate S, T, P (403.58797s) started
T01 << 1462350310.46827102 TCI: Calculate S, T, P (418.72258s) stopped
T01 >> 1462350310.46835709 blocked summation (106.00327s) started
T01 << 1462350314.27138305 blocked summation (109.80629s) stopped
T01 >> 1462350314.27307796 Scalapack redistribute (6.20895s) started
T01 << 1462350314.33137393 Scalapack redistribute (6.26725s) stopped
T01 >> 1462350314.33176088 blocked summation (109.80634s) started
T01 << 1462350314.50541091 blocked summation (109.97999s) stopped
T01 >> 1462350314.50704288 Scalapack redistribute (6.26730s) started
T01 << 1462350314.70583010 Scalapack redistribute (6.46609s) stopped
T01 >> 1462350314.70741296 Redistribute (0.05306s) started
T01 << 1462350314.70841503 Redistribute (0.05407s) stopped
T01 >> 1462350315.62725496 Redistribute (0.05408s) started
T01 << 1462350315.62838006 Redistribute (0.05521s) stopped
T01 >> 1462350315.63744092 LCAO WFS Initialize (788.06985s) started
T01 >> 1462350315.63747096 Density initialize from wavefunctions (31.52346s) started
T01 >> 1462350315.63787794 Calculate density matrix (18.32137s) started
T01 << 1462350316.35095501 Calculate density matrix (19.03445s) stopped
T01 >> 1462350316.35102892 Construct density (4.47802s) started
T01 << 1462350316.52861500 Construct density (4.65560s) stopped
T01 >> 1462350316.53023005 Symmetrize density (0.00111s) started
T01 << 1462350316.53026295 Symmetrize density (0.00114s) stopped
T01 << 1462350316.87012792 Density initialize from wavefunctions (32.75611s) stopped
T01 >> 1462350316.87069201 Hamiltonian (756.33584s) started
T01 >> 1462350316.87071609 vbar (0.38682s) started
T01 << 1462350316.88610601 vbar (0.40221s) stopped
T01 >> 1462350316.88621807 XC 3D grid (276.70112s) started
T01 >> 1462350317.06607008 van der Waals (267.07779s) started
T01 >> 1462350317.11093497 semilocal (59.87896s) started
T01 << 1462350319.31693006 semilocal (62.08496s) stopped
T01 >> 1462350319.34883189 redistribute (29.06643s) started
T01 << 1462350319.74336505 redistribute (29.46096s) stopped
T01 >> 1462350319.74341512 libvdwxc nonlocal (176.09468s) started
T01 << 1462350326.29512310 libvdwxc nonlocal (182.64639s) stopped
T01 >> 1462350326.29519510 redistribute (29.46100s) started
T01 << 1462350326.94030595 redistribute (30.10611s) stopped
T01 << 1462350326.94140291 van der Waals (276.95312s) stopped
T01 << 1462350327.12208605 XC 3D grid (286.93699s) stopped
T01 >> 1462350327.12213397 Poisson (128.33960s) started
T01 << 1462350331.82011604 Poisson (133.03759s) stopped
T01 >> 1462350331.82020807 Hartree integrate/restrict (2.16687s) started
T01 << 1462350331.83717203 Hartree integrate/restrict (2.18384s) stopped
T01 >> 1462350331.83729911 Hartree integrate/restrict (2.18392s) started
T01 << 1462350331.89989090 Hartree integrate/restrict (2.24652s) stopped
T01 >> 1462350331.92313004 Atomic (180.50268s) started
T01 >> 1462350331.93350410 XC Correction (180.14412s) started
T01 << 1462350338.67881799 XC Correction (186.88943s) stopped
T01 << 1462350338.68197608 Atomic (187.26153s) stopped
T01 >> 1462350338.68224096 Communicate (167.64790s) started
T01 << 1462350344.76570106 Communicate (173.73136s) stopped
T01 << 1462350344.76573706 Hamiltonian (784.23089s) stopped
T01 << 1462350344.76579404 LCAO WFS Initialize (817.19820s) stopped
T01 << 1462350344.77827597 Initialization (1396.33622s) stopped
T01 >> 1462350344.80357909 SCF-cycle (15536.85496s) started
T01 >> 1462350344.80361795 LCAO eigensolver (3863.32096s) started
T01 >> 1462350344.80363107 Potential matrix (123.82544s) started
T01 << 1462350345.06725502 Potential matrix (124.08906s) stopped
T01 >> 1462350345.06733203 DistributedAtomicCorrection (641.85507s) started
T01 << 1462350346.40055704 DistributedAtomicCorrection (643.18830s) stopped
T01 >> 1462350346.40061998 Distribute overlap matrix (555.61265s) started
T01 >> 1462350346.40064311 blocked summation (526.68227s) started
T01 << 1462350347.54853392 blocked summation (527.83016s) stopped
T01 >> 1462350347.55016398 Scalapack redistribute (28.18211s) started
T01 << 1462350347.60843492 Scalapack redistribute (28.24038s) stopped
T01 << 1462350347.60851097 Distribute overlap matrix (556.82054s) stopped
T01 >> 1462350347.60908890 Blacs Orbital Layouts (1325.11226s) started
T01 >> 1462350347.61027908 General diagonalize (1298.65129s) started
T01 << 1462350350.32036209 General diagonalize (1301.36137s) stopped
T01 >> 1462350350.32041311 Redistribute coefs (1.42898s) started
T01 << 1462350350.32324791 Redistribute coefs (1.43182s) stopped
T01 >> 1462350350.32329202 Send coefs to domains (24.30081s) started
T01 << 1462350350.37667108 Send coefs to domains (24.35419s) stopped
T01 << 1462350350.37672806 Blacs Orbital Layouts (1327.87990s) stopped
T01 >> 1462350350.37675095 Calculate projections (1216.50711s) started
T01 << 1462350352.87979889 Calculate projections (1219.01015s) stopped
T01 << 1462350352.87986994 LCAO eigensolver (3871.39721s) stopped
T01 >> 1462350352.88048911 Density (943.63433s) started
T01 >> 1462350352.88050199 Pseudo density (779.90271s) started
T01 >> 1462350352.88092995 Calculate density matrix (700.82083s) started
T01 << 1462350354.46625400 Calculate density matrix (702.40615s) stopped
T01 >> 1462350354.46632290 Construct density (77.98046s) started
T01 << 1462350354.64268208 Construct density (78.15682s) stopped
T01 >> 1462350354.64412594 Symmetrize density (0.01977s) started
T01 << 1462350354.64416003 Symmetrize density (0.01981s) stopped
T01 << 1462350354.64461303 Pseudo density (781.66682s) stopped
T01 >> 1462350354.64463210 Atomic density matrices (108.46262s) started
T01 << 1462350354.88901591 Atomic density matrices (108.70700s) stopped
T01 >> 1462350354.88905597 Multipole moments (1.75695s) started
T01 << 1462350354.89300990 Multipole moments (1.76091s) stopped
T01 >> 1462350354.89303303 Normalize (0.48513s) started
T01 << 1462350354.89409494 Normalize (0.48619s) stopped
T01 >> 1462350354.89413190 Mix (52.99694s) started
T01 << 1462350354.99941301 Mix (53.10222s) stopped
T01 << 1462350354.99949193 Density (945.75333s) stopped
T01 >> 1462350354.99957991 Hamiltonian (10729.50007s) started
T01 >> 1462350354.99959993 vbar (6.34222s) started
T01 << 1462350355.01467991 vbar (6.35730s) stopped
T01 >> 1462350355.01477289 XC 3D grid (4656.15224s) started
T01 >> 1462350355.19243312 van der Waals (4493.99143s) started
T01 >> 1462350355.23735905 semilocal (1013.48671s) started
T01 << 1462350357.44692302 semilocal (1015.69628s) stopped
T01 >> 1462350357.47970200 redistribute (493.76723s) started
T01 << 1462350357.87962103 redistribute (494.16715s) stopped
T01 >> 1462350357.87968898 libvdwxc nonlocal (2952.35757s) started
T01 << 1462350364.45692492 libvdwxc nonlocal (2958.93481s) stopped
T01 >> 1462350364.45698810 redistribute (494.16719s) started
T01 << 1462350365.11047292 redistribute (494.82067s) stopped
T01 << 1462350365.11153603 van der Waals (4503.91053s) stopped
T01 << 1462350365.29003811 XC 3D grid (4666.42750s) stopped
T01 >> 1462350365.29010201 Poisson (960.12628s) started
T01 << 1462350367.65738797 Poisson (962.49357s) stopped
T01 >> 1462350367.65750098 Hartree integrate/restrict (36.85348s) started
T01 << 1462350367.67445707 Hartree integrate/restrict (36.87043s) stopped
T01 >> 1462350367.67458105 Hartree integrate/restrict (36.87052s) started
T01 << 1462350367.73820210 Hartree integrate/restrict (36.93414s) stopped
T01 >> 1462350367.76225591 Atomic (2877.58348s) started
T01 >> 1462350367.77222490 XC Correction (2871.67881s) started
T01 << 1462350374.55123591 XC Correction (2878.45782s) stopped
T01 << 1462350374.55432701 Atomic (2884.37555s) stopped
T01 >> 1462350374.55448008 Communicate (2182.76878s) started
T01 << 1462350380.01798606 Communicate (2188.23229s) stopped
T01 << 1462350380.01801801 Hamiltonian (10754.51851s) stopped
T01 >> 1462350380.01813293 LCAO eigensolver (3871.39722s) started
T01 >> 1462350380.01814795 Potential matrix (124.08910s) started
T01 << 1462350380.28083301 Potential matrix (124.35179s) stopped
T01 >> 1462350380.28091097 DistributedAtomicCorrection (643.18833s) started
T01 << 1462350381.61119199 DistributedAtomicCorrection (644.51861s) stopped
T01 >> 1462350381.61125398 Distribute overlap matrix (556.82055s) started
T01 >> 1462350381.61127591 blocked summation (527.83021s) started
T01 << 1462350382.74945307 blocked summation (528.96838s) stopped
T01 >> 1462350382.75107503 Scalapack redistribute (28.24041s) started
T01 << 1462350382.80872297 Scalapack redistribute (28.29806s) stopped
T01 << 1462350382.80879903 Distribute overlap matrix (558.01809s) stopped
T01 >> 1462350382.80936289 Blacs Orbital Layouts (1327.87991s) started
T01 >> 1462350382.81054997 General diagonalize (1301.36141s) started
T01 << 1462350385.51186609 General diagonalize (1304.06273s) stopped
T01 >> 1462350385.51192999 Redistribute coefs (1.43185s) started
T01 << 1462350385.51487994 Redistribute coefs (1.43480s) stopped
T01 >> 1462350385.51495790 Send coefs to domains (24.35423s) started
T01 << 1462350385.56817508 Send coefs to domains (24.40745s) stopped
T01 << 1462350385.56822991 Blacs Orbital Layouts (1330.63878s) stopped
T01 >> 1462350385.56827688 Calculate projections (1219.01020s) started
T01 << 1462350388.07147908 Calculate projections (1221.51340s) stopped
T01 << 1462350388.07154799 LCAO eigensolver (3879.45064s) stopped
T01 >> 1462350388.07221794 Density (945.75335s) started
T01 >> 1462350388.07223105 Pseudo density (781.66683s) started
T01 >> 1462350388.07265091 Calculate density matrix (702.40619s) started
T01 << 1462350389.66500092 Calculate density matrix (703.99854s) stopped
T01 >> 1462350389.66507912 Construct density (78.15686s) started
T01 << 1462350389.84241104 Construct density (78.33419s) stopped
T01 >> 1462350389.84389091 Symmetrize density (0.01982s) started
T01 << 1462350389.84392500 Symmetrize density (0.01985s) stopped
T01 << 1462350389.84437394 Pseudo density (783.43898s) stopped
T01 >> 1462350389.84439301 Atomic density matrices (108.70703s) started
T01 << 1462350390.08738494 Atomic density matrices (108.95002s) stopped
T01 >> 1462350390.08742499 Multipole moments (1.76092s) started
T01 << 1462350390.09137797 Multipole moments (1.76487s) stopped
T01 >> 1462350390.09139991 Normalize (0.48622s) started
T01 << 1462350390.09246397 Normalize (0.48728s) stopped
T01 >> 1462350390.09250093 Mix (53.10230s) started
T01 << 1462350390.19875193 Mix (53.20855s) stopped
T01 << 1462350390.19883204 Density (947.87996s) stopped
T01 >> 1462350390.19891310 Hamiltonian (10754.51852s) started
T01 >> 1462350390.19899201 vbar (6.35735s) started
T01 << 1462350390.21478391 vbar (6.37314s) stopped
T01 >> 1462350390.21490192 XC 3D grid (4666.42755s) started
T01 >> 1462350390.39671493 van der Waals (4503.91057s) started
T01 >> 1462350390.43962693 semilocal (1015.69637s) started
T01 << 1462350392.66022110 semilocal (1017.91696s) stopped
T01 >> 1462350392.69207001 redistribute (494.82072s) started
T01 << 1462350393.06851292 redistribute (495.19716s) stopped
T01 >> 1462350393.06857705 libvdwxc nonlocal (2958.93486s) started
T01 << 1462350399.65180492 libvdwxc nonlocal (2965.51809s) stopped
T01 >> 1462350399.65186906 redistribute (495.19720s) started
T01 << 1462350400.30653906 redistribute (495.85187s) stopped
T01 << 1462350400.30756807 van der Waals (4513.82142s) stopped
T01 << 1462350400.48915696 XC 3D grid (4676.70181s) stopped
T01 >> 1462350400.48920703 Poisson (962.49365s) started
T01 << 1462350402.85827494 Poisson (964.86272s) stopped
T01 >> 1462350402.85837507 Hartree integrate/restrict (36.93418s) started
T01 << 1462350402.87532711 Hartree integrate/restrict (36.95113s) stopped
T01 >> 1462350402.87543607 Hartree integrate/restrict (36.95120s) started
T01 << 1462350402.93938708 Hartree integrate/restrict (37.01516s) stopped
T01 >> 1462350402.96095991 Atomic (2884.37557s) started
T01 >> 1462350402.97094607 XC Correction (2878.45785s) started
T01 << 1462350409.33906603 XC Correction (2884.82597s) stopped
T01 << 1462350409.34219599 Atomic (2890.75681s) stopped
T01 >> 1462350409.34234810 Communicate (2188.23231s) started
T01 << 1462350414.68488407 Communicate (2193.57484s) stopped
T01 << 1462350414.68491697 Hamiltonian (10779.00453s) stopped
T01 >> 1462350414.68503189 LCAO eigensolver (3879.45065s) started
T01 >> 1462350414.68504500 Potential matrix (124.35183s) started
T01 << 1462350414.95001507 Potential matrix (124.61680s) stopped
T01 >> 1462350414.95009208 DistributedAtomicCorrection (644.51865s) started
T01 << 1462350416.27842999 DistributedAtomicCorrection (645.84699s) stopped
T01 >> 1462350416.27849197 Distribute overlap matrix (558.01811s) started
T01 >> 1462350416.27851391 blocked summation (528.96842s) started
T01 << 1462350417.43007708 blocked summation (530.11999s) stopped
T01 >> 1462350417.43173409 Scalapack redistribute (28.29810s) started
T01 << 1462350417.49140501 Scalapack redistribute (28.35777s) stopped
T01 << 1462350417.49148202 Distribute overlap matrix (559.23110s) stopped
T01 >> 1462350417.49205494 Blacs Orbital Layouts (1330.63879s) started
T01 >> 1462350417.49324203 General diagonalize (1304.06277s) started
T01 << 1462350420.19186401 General diagonalize (1306.76139s) stopped
T01 >> 1462350420.19192910 Redistribute coefs (1.43483s) started
T01 << 1462350420.19480491 Redistribute coefs (1.43771s) stopped
T01 >> 1462350420.19488502 Send coefs to domains (24.40750s) started
T01 << 1462350420.24824190 Send coefs to domains (24.46085s) stopped
T01 << 1462350420.24829793 Blacs Orbital Layouts (1333.39504s) stopped
T01 >> 1462350420.24834394 Calculate projections (1221.51345s) started
T01 << 1462350422.75149202 Calculate projections (1224.01660s) stopped
T01 << 1462350422.75156498 LCAO eigensolver (3887.51718s) stopped
T01 >> 1462350422.75225711 Density (947.87998s) started
T01 >> 1462350422.75226903 Pseudo density (783.43899s) started
T01 >> 1462350422.75269389 Calculate density matrix (703.99860s) started
T01 << 1462350424.34921408 Calculate density matrix (705.59512s) stopped
T01 >> 1462350424.34933805 Construct density (78.33422s) started
T01 << 1462350424.52672100 Construct density (78.51161s) stopped
T01 >> 1462350424.52817512 Symmetrize density (0.01987s) started
T01 << 1462350424.52820802 Symmetrize density (0.01990s) stopped
T01 << 1462350424.52865505 Pseudo density (785.21538s) stopped
T01 >> 1462350424.52867794 Atomic density matrices (108.95005s) started
T01 << 1462350424.77316189 Atomic density matrices (109.19453s) stopped
T01 >> 1462350424.77320194 Multipole moments (1.76489s) started
T01 << 1462350424.77714610 Multipole moments (1.76883s) stopped
T01 >> 1462350424.77716899 Normalize (0.48731s) started
T01 << 1462350424.77823400 Normalize (0.48837s) stopped
T01 >> 1462350424.77827096 Mix (53.20862s) started
T01 << 1462350424.88884306 Mix (53.31920s) stopped
T01 << 1462350424.88889098 Density (950.01661s) stopped
T01 >> 1462350424.88897491 Hamiltonian (10779.00454s) started
T01 >> 1462350424.88899493 vbar (6.37321s) started
T01 << 1462350424.90469098 vbar (6.38891s) stopped
T01 >> 1462350424.90475798 XC 3D grid (4676.70185s) started
T01 >> 1462350425.08380795 van der Waals (4513.82148s) started
T01 >> 1462350425.12880111 semilocal (1017.91706s) started
T01 << 1462350427.34502006 semilocal (1020.13328s) stopped
T01 >> 1462350427.37762403 redistribute (495.85192s) started
T01 << 1462350427.77089190 redistribute (496.24519s) stopped
T01 >> 1462350427.77095699 libvdwxc nonlocal (2965.51813s) started
T01 << 1462350434.35855794 libvdwxc nonlocal (2972.10573s) stopped
T01 >> 1462350434.35862494 redistribute (496.24522s) started
T01 << 1462350435.01139903 redistribute (496.89800s) stopped
T01 << 1462350435.01247811 van der Waals (4523.75015s) stopped
T01 << 1462350435.19500899 XC 3D grid (4686.99210s) stopped
T01 >> 1462350435.19506001 Poisson (964.86280s) started
T01 << 1462350437.56206107 Poisson (967.22980s) stopped
T01 >> 1462350437.56213903 Hartree integrate/restrict (37.01520s) started
T01 << 1462350437.57925200 Hartree integrate/restrict (37.03231s) stopped
T01 >> 1462350437.57932901 Hartree integrate/restrict (37.03237s) started
T01 << 1462350437.64763904 Hartree integrate/restrict (37.10068s) stopped
T01 >> 1462350437.66559291 Atomic (2890.75683s) started
T01 >> 1462350437.67559099 XC Correction (2884.82599s) started
T01 << 1462350444.01514912 XC Correction (2891.16555s) stopped
T01 << 1462350444.01827407 Atomic (2897.10951s) stopped
T01 >> 1462350444.01842809 Communicate (2193.57486s) started
T01 << 1462350448.70649099 Communicate (2198.26293s) stopped
T01 << 1462350448.70652390 Hamiltonian (10802.82209s) stopped
T01 >> 1462350448.70664310 LCAO eigensolver (3887.51720s) started
T01 >> 1462350448.70665693 Potential matrix (124.61684s) started
T01 << 1462350448.96943307 Potential matrix (124.87962s) stopped
T01 >> 1462350448.96950889 DistributedAtomicCorrection (645.84703s) started
T01 << 1462350450.29554892 DistributedAtomicCorrection (647.17307s) stopped
T01 >> 1462350450.29560995 Distribute overlap matrix (559.23111s) started
T01 >> 1462350450.29563308 blocked summation (530.12003s) started
T01 << 1462350451.44191194 blocked summation (531.26631s) stopped
T01 >> 1462350451.44352293 Scalapack redistribute (28.35780s) started
T01 << 1462350451.50057292 Scalapack redistribute (28.41485s) stopped
T01 << 1462350451.50065303 Distribute overlap matrix (560.43615s) stopped
T01 >> 1462350451.50122404 Blacs Orbital Layouts (1333.39505s) started
T01 >> 1462350451.50242591 General diagonalize (1306.76143s) started
T01 << 1462350454.21540093 General diagonalize (1309.47440s) stopped
T01 >> 1462350454.21546412 Redistribute coefs (1.43774s) started
T01 << 1462350454.21830511 Redistribute coefs (1.44058s) stopped
T01 >> 1462350454.21838188 Send coefs to domains (24.46090s) started
T01 << 1462350454.27228808 Send coefs to domains (24.51480s) stopped
T01 << 1462350454.27234507 Blacs Orbital Layouts (1336.16617s) stopped
T01 >> 1462350454.27239394 Calculate projections (1224.01664s) started
T01 << 1462350456.77561593 Calculate projections (1226.51986s) stopped
T01 << 1462350456.77569008 LCAO eigensolver (3895.58624s) stopped
T01 >> 1462350456.77640700 Density (950.01663s) started
T01 >> 1462350456.77642012 Pseudo density (785.21540s) started
T01 >> 1462350456.77684307 Calculate density matrix (705.59519s) started
T01 << 1462350458.37184596 Calculate density matrix (707.19019s) stopped
T01 >> 1462350458.37193704 Construct density (78.51164s) started
T01 << 1462350458.54825091 Construct density (78.68796s) stopped
T01 >> 1462350458.54971910 Symmetrize density (0.01991s) started
T01 << 1462350458.54975295 Symmetrize density (0.01994s) stopped
T01 << 1462350458.55020690 Pseudo density (786.98918s) stopped
T01 >> 1462350458.55025792 Atomic density matrices (109.19456s) started
T01 << 1462350458.79490209 Atomic density matrices (109.43920s) stopped
T01 >> 1462350458.79494190 Multipole moments (1.76885s) started
T01 << 1462350458.79889393 Multipole moments (1.77280s) stopped
T01 >> 1462350458.79891706 Normalize (0.48840s) started
T01 << 1462350458.79998398 Normalize (0.48946s) stopped
T01 >> 1462350458.80001998 Mix (53.31924s) started
T01 << 1462350458.91478896 Mix (53.43401s) stopped
T01 << 1462350458.91486311 Density (952.15508s) stopped
T01 >> 1462350458.91495109 Hamiltonian (10802.82210s) started
T01 >> 1462350458.91496992 vbar (6.38895s) started
T01 << 1462350458.93035102 vbar (6.40433s) stopped
T01 >> 1462350458.93042111 XC 3D grid (4686.99214s) started
T01 >> 1462350459.10886097 van der Waals (4523.75020s) started
T01 >> 1462350459.15368891 semilocal (1020.13336s) started
T01 << 1462350461.34758210 semilocal (1022.32726s) stopped
T01 >> 1462350461.38158989 redistribute (496.89805s) started
T01 << 1462350461.79749990 redistribute (497.31396s) stopped
T01 >> 1462350461.79756594 libvdwxc nonlocal (2972.10577s) started
T01 << 1462350468.34324908 libvdwxc nonlocal (2978.65146s) stopped
T01 >> 1462350468.34332204 redistribute (497.31400s) started
T01 << 1462350468.99938989 redistribute (497.97006s) stopped
T01 << 1462350469.00039601 van der Waals (4533.64174s) stopped
T01 << 1462350469.18368912 XC 3D grid (4697.24540s) stopped
T01 >> 1462350469.18375993 Poisson (967.22986s) started
T01 << 1462350471.55619192 Poisson (969.60229s) stopped
T01 >> 1462350471.55629992 Hartree integrate/restrict (37.10073s) started
T01 << 1462350471.57317400 Hartree integrate/restrict (37.11760s) stopped
T01 >> 1462350471.57330203 Hartree integrate/restrict (37.11769s) started
T01 << 1462350471.63789797 Hartree integrate/restrict (37.18229s) stopped
T01 >> 1462350471.66184402 Atomic (2897.10952s) started
T01 >> 1462350471.67181802 XC Correction (2891.16558s) started
T01 << 1462350478.05234694 XC Correction (2897.54610s) stopped
T01 << 1462350478.05546594 Atomic (2903.50315s) stopped
T01 >> 1462350478.05561805 Communicate (2198.26295s) started
T01 << 1462350482.67639709 Communicate (2202.88373s) stopped
T01 << 1462350482.67642903 Hamiltonian (10826.58358s) stopped
T01 >> 1462350482.67654705 LCAO eigensolver (3895.58626s) started
T01 >> 1462350482.67656112 Potential matrix (124.87966s) started
T01 << 1462350482.93945098 Potential matrix (125.14255s) stopped
T01 >> 1462350482.93952894 DistributedAtomicCorrection (647.17311s) started
T01 << 1462350484.27532506 DistributedAtomicCorrection (648.50890s) stopped
T01 >> 1462350484.27538610 Distribute overlap matrix (560.43617s) started
T01 >> 1462350484.27540898 blocked summation (531.26635s) started
T01 << 1462350485.39833808 blocked summation (532.38928s) stopped
T01 >> 1462350485.39982700 Scalapack redistribute (28.41489s) started
T01 << 1462350485.46283102 Scalapack redistribute (28.47789s) stopped
T01 << 1462350485.46290898 Distribute overlap matrix (561.62369s) stopped
T01 >> 1462350485.46350288 Blacs Orbital Layouts (1336.16618s) started
T01 >> 1462350485.46466208 General diagonalize (1309.47444s) started
T01 << 1462350488.16075110 General diagonalize (1312.17053s) stopped
T01 >> 1462350488.16081500 Redistribute coefs (1.44062s) started
T01 << 1462350488.16456008 Redistribute coefs (1.44436s) stopped
T01 >> 1462350488.16460991 Send coefs to domains (24.51485s) started
T01 << 1462350488.21671891 Send coefs to domains (24.56696s) stopped
T01 << 1462350488.21703601 Blacs Orbital Layouts (1338.91972s) stopped
T01 >> 1462350488.21709299 Calculate projections (1226.51991s) started
T01 << 1462350490.72009206 Calculate projections (1229.02291s) stopped
T01 << 1462350490.72016406 LCAO eigensolver (3903.62988s) stopped
T01 >> 1462350490.72089505 Density (952.15510s) started
T01 >> 1462350490.72090793 Pseudo density (786.98923s) started
T01 >> 1462350490.72132707 Calculate density matrix (707.19023s) started
T01 << 1462350492.32433105 Calculate density matrix (708.79324s) stopped
T01 >> 1462350492.32443190 Construct density (78.68800s) started
T01 << 1462350492.50176311 Construct density (78.86533s) stopped
T01 >> 1462350492.50321102 Symmetrize density (0.01995s) started
T01 << 1462350492.50324392 Symmetrize density (0.01999s) stopped
T01 << 1462350492.50370002 Pseudo density (788.77202s) stopped
T01 >> 1462350492.50372005 Atomic density matrices (109.43923s) started
T01 << 1462350492.74765110 Atomic density matrices (109.68316s) stopped
T01 >> 1462350492.74769497 Multipole moments (1.77281s) started
T01 << 1462350492.75164008 Multipole moments (1.77676s) stopped
T01 >> 1462350492.75166512 Normalize (0.48949s) started
T01 << 1462350492.75273705 Normalize (0.49056s) stopped
T01 >> 1462350492.75277305 Mix (53.43408s) started
T01 << 1462350492.87266302 Mix (53.55397s) stopped
T01 << 1462350492.87274599 Density (954.30695s) stopped
T01 >> 1462350492.87283397 Hamiltonian (10826.58359s) started
T01 >> 1462350492.87285495 vbar (6.40437s) started
T01 << 1462350492.88779211 vbar (6.41931s) stopped
T01 >> 1462350492.88789392 XC 3D grid (4697.24546s) started
T01 >> 1462350493.06561899 van der Waals (4533.64178s) started
T01 >> 1462350493.10905290 semilocal (1022.32736s) started
T01 << 1462350495.31748891 semilocal (1024.53580s) stopped
T01 >> 1462350495.34988689 redistribute (497.97011s) started
T01 << 1462350495.74461389 redistribute (498.36483s) stopped
T01 >> 1462350495.74468088 libvdwxc nonlocal (2978.65150s) started
T01 << 1462350502.30521703 libvdwxc nonlocal (2985.21204s) stopped
T01 >> 1462350502.30528307 redistribute (498.36487s) started
T01 << 1462350502.96031904 redistribute (499.01991s) stopped
T01 << 1462350502.96121597 van der Waals (4543.53738s) stopped
T01 << 1462350503.14261603 XC 3D grid (4707.50018s) stopped
T01 >> 1462350503.14267111 Poisson (969.60237s) started
T01 << 1462350505.51596999 Poisson (971.97567s) stopped
T01 >> 1462350505.51609612 Hartree integrate/restrict (37.18232s) started
T01 << 1462350505.53312111 Hartree integrate/restrict (37.19935s) stopped
T01 >> 1462350505.53321910 Hartree integrate/restrict (37.19942s) started
T01 << 1462350505.59618092 Hartree integrate/restrict (37.26238s) stopped
T01 >> 1462350505.61940694 Atomic (2903.50316s) started
T01 >> 1462350505.62946892 XC Correction (2897.54613s) started
T01 << 1462350512.04223299 XC Correction (2903.95889s) stopped
T01 << 1462350512.04535604 Atomic (2909.92911s) stopped
T01 >> 1462350512.04550695 Communicate (2202.88375s) started
T01 << 1462350516.61847997 Communicate (2207.45672s) stopped
T01 << 1462350516.61851597 Hamiltonian (10850.32927s) stopped
T01 >> 1462350516.61863303 LCAO eigensolver (3903.62989s) started
T01 >> 1462350516.61864710 Potential matrix (125.14259s) started
T01 << 1462350516.88180494 Potential matrix (125.40575s) stopped
T01 >> 1462350516.88188291 DistributedAtomicCorrection (648.50894s) started
T01 << 1462350518.22157502 DistributedAtomicCorrection (649.84863s) stopped
T01 >> 1462350518.22163606 Distribute overlap matrix (561.62370s) started
T01 >> 1462350518.22165799 blocked summation (532.38932s) started
T01 << 1462350519.33693004 blocked summation (533.50459s) stopped
T01 >> 1462350519.33891392 Scalapack redistribute (28.47793s) started
T01 << 1462350519.40041304 Scalapack redistribute (28.53943s) stopped
T01 << 1462350519.40049505 Distribute overlap matrix (562.80256s) stopped
T01 >> 1462350519.40110207 Blacs Orbital Layouts (1338.91973s) started
T01 >> 1462350519.40226889 General diagonalize (1312.17057s) started
T01 << 1462350522.10816503 General diagonalize (1314.87647s) stopped
T01 >> 1462350522.10822797 Redistribute coefs (1.44440s) started
T01 << 1462350522.11086202 Redistribute coefs (1.44704s) stopped
T01 >> 1462350522.11091089 Send coefs to domains (24.56700s) started
T01 << 1462350522.16430306 Send coefs to domains (24.62039s) stopped
T01 << 1462350522.16457009 Blacs Orbital Layouts (1341.68320s) stopped
T01 >> 1462350522.16462708 Calculate projections (1229.02295s) started
T01 << 1462350524.66785097 Calculate projections (1231.52618s) stopped
T01 << 1462350524.66810703 LCAO eigensolver (3911.67936s) stopped
T01 >> 1462350524.66882706 Density (954.30696s) started
T01 >> 1462350524.66883898 Pseudo density (788.77203s) started
T01 >> 1462350524.66926098 Calculate density matrix (708.79328s) started
T01 << 1462350526.27088404 Calculate density matrix (710.39491s) stopped
T01 >> 1462350526.27097988 Construct density (78.86536s) started
T01 << 1462350526.44829702 Construct density (79.04268s) stopped
T01 >> 1462350526.44973207 Symmetrize density (0.02000s) started
T01 << 1462350526.44976497 Symmetrize density (0.02003s) stopped
T01 << 1462350526.45021105 Pseudo density (790.55341s) stopped
T01 >> 1462350526.45022988 Atomic density matrices (109.68319s) started
T01 << 1462350526.69479895 Atomic density matrices (109.92776s) stopped
T01 >> 1462350526.69483900 Multipole moments (1.77677s) started
T01 << 1462350526.69876504 Multipole moments (1.78070s) stopped
T01 >> 1462350526.69878697 Normalize (0.49059s) started
T01 << 1462350526.69984794 Normalize (0.49165s) stopped
T01 >> 1462350526.69988608 Mix (53.55405s) started
T01 << 1462350526.81891608 Mix (53.67308s) stopped
T01 << 1462350526.81898689 Density (956.45712s) stopped
T01 >> 1462350526.81907201 Hamiltonian (10850.32929s) started
T01 >> 1462350526.81909204 vbar (6.41936s) started
T01 << 1462350526.83446789 vbar (6.43474s) stopped
T01 >> 1462350526.83453393 XC 3D grid (4707.50022s) started
T01 >> 1462350527.01350093 van der Waals (4543.53742s) started
T01 >> 1462350527.05808997 semilocal (1024.53591s) started
T01 << 1462350529.25953794 semilocal (1026.73736s) stopped
T01 >> 1462350529.29254198 redistribute (499.01995s) started
T01 << 1462350529.69753909 redistribute (499.42495s) stopped
T01 >> 1462350529.69760394 libvdwxc nonlocal (2985.21208s) started
T01 << 1462350536.28679299 libvdwxc nonlocal (2991.80127s) stopped
T01 >> 1462350536.28685808 redistribute (499.42499s) started
T01 << 1462350536.94193006 redistribute (500.08006s) stopped
T01 << 1462350536.94289994 van der Waals (4553.46682s) stopped
T01 << 1462350537.12517905 XC 3D grid (4717.79087s) stopped
T01 >> 1462350537.12522507 Poisson (971.97577s) started
T01 << 1462350539.49959898 Poisson (974.35014s) stopped
T01 >> 1462350539.49967599 Hartree integrate/restrict (37.26241s) started
T01 << 1462350539.51671004 Hartree integrate/restrict (37.27945s) stopped
T01 >> 1462350539.51679492 Hartree integrate/restrict (37.27951s) started
T01 << 1462350539.58502507 Hartree integrate/restrict (37.34774s) stopped
T01 >> 1462350539.60442901 Atomic (2909.92913s) started
T01 >> 1462350539.61455202 XC Correction (2903.95892s) started
T01 << 1462350546.06668997 XC Correction (2910.41106s) stopped
T01 << 1462350546.06981611 Atomic (2916.39452s) stopped
T01 >> 1462350546.06996894 Communicate (2207.45675s) started
T01 << 1462350550.65630603 Communicate (2212.04308s) stopped
T01 << 1462350550.65633988 Hamiltonian (10874.16655s) stopped
T01 >> 1462350550.65646005 LCAO eigensolver (3911.67941s) started
T01 >> 1462350550.65647411 Potential matrix (125.40579s) started
T01 << 1462350550.92284489 Potential matrix (125.67216s) stopped
T01 >> 1462350550.92292309 DistributedAtomicCorrection (649.84867s) started
T01 << 1462350552.27658200 DistributedAtomicCorrection (651.20233s) stopped
T01 >> 1462350552.27664304 Distribute overlap matrix (562.80257s) started
T01 >> 1462350552.27666998 blocked summation (533.50463s) started
T01 << 1462350553.39715099 blocked summation (534.62511s) stopped
T01 >> 1462350553.39933395 Scalapack redistribute (28.53946s) started
T01 << 1462350553.45819712 Scalapack redistribute (28.59833s) stopped
T01 << 1462350553.45828009 Distribute overlap matrix (563.98421s) stopped
T01 >> 1462350553.45888901 Blacs Orbital Layouts (1341.68322s) started
T01 >> 1462350553.46003604 General diagonalize (1314.87651s) started
T01 << 1462350556.17974591 General diagonalize (1317.59622s) stopped
T01 >> 1462350556.17980909 Redistribute coefs (1.44708s) started
T01 << 1462350556.18232393 Redistribute coefs (1.44959s) stopped
T01 >> 1462350556.18240905 Send coefs to domains (24.62044s) started
T01 << 1462350556.23568201 Send coefs to domains (24.67371s) stopped
T01 << 1462350556.23596907 Blacs Orbital Layouts (1344.46030s) stopped
T01 >> 1462350556.23602700 Calculate projections (1231.52622s) started
T01 << 1462350558.73921609 Calculate projections (1234.02941s) stopped
T01 << 1462350558.73963308 LCAO eigensolver (3919.76258s) stopped
T01 >> 1462350558.74035001 Density (956.45714s) started
T01 >> 1462350558.74036288 Pseudo density (790.55342s) started
T01 >> 1462350558.74078608 Calculate density matrix (710.39495s) started
T01 << 1462350560.34083700 Calculate density matrix (711.99500s) stopped
T01 >> 1462350560.34092498 Construct density (79.04271s) started
T01 << 1462350560.51738906 Construct density (79.21918s) stopped
T01 >> 1462350560.51882696 Symmetrize density (0.02004s) started
T01 << 1462350560.51886106 Symmetrize density (0.02008s) stopped
T01 << 1462350560.51931000 Pseudo density (792.33237s) stopped
T01 >> 1462350560.51933002 Atomic density matrices (109.92779s) started
T01 << 1462350560.76406503 Atomic density matrices (110.17252s) stopped
T01 >> 1462350560.76410699 Multipole moments (1.78071s) started
T01 << 1462350560.76803303 Multipole moments (1.78464s) stopped
T01 >> 1462350560.76805496 Normalize (0.49167s) started
T01 << 1462350560.76911306 Normalize (0.49273s) stopped
T01 >> 1462350560.76915002 Mix (53.67315s) started
T01 << 1462350560.88825893 Mix (53.79226s) stopped
T01 << 1462350560.88831592 Density (958.60511s) stopped
T01 >> 1462350560.88839412 Hamiltonian (10874.16657s) started
T01 >> 1462350560.88841295 vbar (6.43478s) started
T01 << 1462350560.90419006 vbar (6.45055s) stopped
T01 >> 1462350560.90428591 XC 3D grid (4717.79090s) started
T01 >> 1462350561.08389711 van der Waals (4553.46684s) started
T01 >> 1462350561.12907410 semilocal (1026.73747s) started
T01 << 1462350563.33284593 semilocal (1028.94124s) stopped
T01 >> 1462350563.36746502 redistribute (500.08010s) started
T01 << 1462350563.76630092 redistribute (500.47894s) stopped
T01 >> 1462350563.76636505 libvdwxc nonlocal (2991.80131s) started
T01 << 1462350570.37930107 libvdwxc nonlocal (2998.41425s) stopped
T01 >> 1462350570.37936902 redistribute (500.47898s) started
T01 << 1462350571.03327298 redistribute (501.13288s) stopped
T01 << 1462350571.03436589 van der Waals (4563.41731s) stopped
T01 << 1462350571.21371508 XC 3D grid (4728.10033s) stopped
T01 >> 1462350571.21377707 Poisson (974.35019s) started
T01 << 1462350573.58250499 Poisson (976.71892s) stopped
T01 >> 1462350573.58262396 Hartree integrate/restrict (37.34778s) started
T01 << 1462350573.59964895 Hartree integrate/restrict (37.36481s) stopped
T01 >> 1462350573.59976602 Hartree integrate/restrict (37.36489s) started
T01 << 1462350573.66889501 Hartree integrate/restrict (37.43401s) stopped
T01 >> 1462350573.68777394 Atomic (2916.39453s) started
T01 >> 1462350573.69788599 XC Correction (2910.41108s) started
T01 << 1462350580.15122294 XC Correction (2916.86442s) stopped
T01 << 1462350580.15439701 Atomic (2922.86116s) stopped
T01 >> 1462350580.15454698 Communicate (2212.04311s) started
T01 << 1462350584.70710707 Communicate (2216.59567s) stopped
T01 << 1462350584.70714092 Hamiltonian (10897.98531s) stopped
T01 >> 1462350584.70725703 LCAO eigensolver (3919.76260s) started
T01 >> 1462350584.70727110 Potential matrix (125.67221s) started
T01 << 1462350584.96978092 Potential matrix (125.93472s) stopped
T01 >> 1462350584.96985698 DistributedAtomicCorrection (651.20236s) started
T01 << 1462350586.31450295 DistributedAtomicCorrection (652.54701s) stopped
T01 >> 1462350586.31456304 Distribute overlap matrix (563.98422s) started
T01 >> 1462350586.31458497 blocked summation (534.62515s) started
T01 << 1462350587.45089507 blocked summation (535.76146s) stopped
T01 >> 1462350587.45273399 Scalapack redistribute (28.59837s) started
T01 << 1462350587.50995207 Scalapack redistribute (28.65558s) stopped
T01 << 1462350587.51003504 Distribute overlap matrix (565.17970s) stopped
T01 >> 1462350587.51062202 Blacs Orbital Layouts (1344.46032s) started
T01 >> 1462350587.51178503 General diagonalize (1317.59626s) started
T01 << 1462350590.22034407 General diagonalize (1320.30481s) stopped
T01 >> 1462350590.22043896 Redistribute coefs (1.44963s) started
T01 << 1462350590.22300410 Redistribute coefs (1.45219s) stopped
T01 >> 1462350590.22309399 Send coefs to domains (24.67375s) started
T01 << 1462350590.27694297 Send coefs to domains (24.72760s) stopped
T01 << 1462350590.27722907 Blacs Orbital Layouts (1347.22692s) stopped
T01 >> 1462350590.27728510 Calculate projections (1234.02946s) started
T01 << 1462350592.78057694 Calculate projections (1236.53275s) stopped
T01 << 1462350592.78082800 LCAO eigensolver (3927.83617s) stopped
T01 >> 1462350592.78151393 Density (958.60512s) started
T01 >> 1462350592.78152704 Pseudo density (792.33238s) started
T01 >> 1462350592.78194690 Calculate density matrix (711.99504s) started
T01 << 1462350594.38385606 Calculate density matrix (713.59695s) stopped
T01 >> 1462350594.38394308 Construct density (79.21921s) started
T01 << 1462350594.56128693 Construct density (79.39656s) stopped
T01 >> 1462350594.56272888 Symmetrize density (0.02009s) started
T01 << 1462350594.56276202 Symmetrize density (0.02012s) stopped
T01 << 1462350594.56320810 Pseudo density (794.11406s) stopped
T01 >> 1462350594.56322694 Atomic density matrices (110.17255s) started
T01 << 1462350594.80892801 Atomic density matrices (110.41825s) stopped
T01 >> 1462350594.80896807 Multipole moments (1.78465s) started
T01 << 1462350594.81293106 Multipole moments (1.78862s) stopped
T01 >> 1462350594.81295395 Normalize (0.49276s) started
T01 << 1462350594.81402612 Normalize (0.49383s) stopped
T01 >> 1462350594.81406212 Mix (53.79231s) started
T01 << 1462350594.93320394 Mix (53.91145s) stopped
T01 << 1462350594.93325996 Density (960.75687s) stopped
T01 >> 1462350594.93334389 Hamiltonian (10897.98533s) started
T01 >> 1462350594.93336391 vbar (6.45061s) started
T01 << 1462350594.94894791 vbar (6.46619s) stopped
T01 >> 1462350594.94901609 XC 3D grid (4728.10038s) started
T01 >> 1462350595.13007808 van der Waals (4563.41735s) started
T01 >> 1462350595.17316389 semilocal (1028.94134s) started
T01 << 1462350597.38928294 semilocal (1031.15746s) stopped
T01 >> 1462350597.41970801 redistribute (501.13292s) started
T01 << 1462350597.79604197 redistribute (501.50926s) stopped
T01 >> 1462350597.79610610 libvdwxc nonlocal (2998.41429s) started
T01 << 1462350604.33543205 libvdwxc nonlocal (3004.95362s) stopped
T01 >> 1462350604.33550501 redistribute (501.50930s) started
T01 << 1462350604.98580098 redistribute (502.15959s) stopped
T01 << 1462350604.98684907 van der Waals (4573.27412s) stopped
T01 << 1462350605.16732907 XC 3D grid (4738.31869s) stopped
T01 >> 1462350605.16737390 Poisson (976.71902s) started
T01 << 1462350606.95226693 Poisson (978.50391s) stopped
T01 >> 1462350606.95235109 Hartree integrate/restrict (37.43406s) started
T01 << 1462350606.96955299 Hartree integrate/restrict (37.45126s) stopped
T01 >> 1462350606.96962190 Hartree integrate/restrict (37.45131s) started
T01 << 1462350607.03286409 Hartree integrate/restrict (37.51455s) stopped
T01 >> 1462350607.05568695 Atomic (2922.86118s) started
T01 >> 1462350607.06577301 XC Correction (2916.86444s) started
T01 << 1462350613.54399991 XC Correction (2923.34267s) stopped
T01 << 1462350613.54710507 Atomic (2929.35259s) stopped
T01 >> 1462350613.54725289 Communicate (2216.59569s) started
T01 << 1462350618.13716507 Communicate (2221.18560s) stopped
T01 << 1462350618.13719797 Hamiltonian (10921.18918s) stopped
T01 >> 1462350618.13731694 LCAO eigensolver (3927.83619s) started
T01 >> 1462350618.13733101 Potential matrix (125.93476s) started
T01 << 1462350618.40242004 Potential matrix (126.19985s) stopped
T01 >> 1462350618.40249705 DistributedAtomicCorrection (652.54705s) started
T01 << 1462350619.74843097 DistributedAtomicCorrection (653.89298s) stopped
T01 >> 1462350619.74849200 Distribute overlap matrix (565.17971s) started
T01 >> 1462350619.74851394 blocked summation (535.76151s) started
T01 << 1462350620.87514400 blocked summation (536.88814s) stopped
T01 >> 1462350620.87708807 Scalapack redistribute (28.65562s) started
T01 << 1462350620.93239594 Scalapack redistribute (28.71093s) stopped
T01 << 1462350620.93247795 Distribute overlap matrix (566.36369s) stopped
T01 >> 1462350620.93308496 Blacs Orbital Layouts (1347.22694s) started
T01 >> 1462350620.93424201 General diagonalize (1320.30488s) started
T01 << 1462350623.64798498 General diagonalize (1323.01863s) stopped
T01 >> 1462350623.64804792 Redistribute coefs (1.45223s) started
T01 << 1462350623.65069795 Redistribute coefs (1.45488s) stopped
T01 >> 1462350623.65078592 Send coefs to domains (24.72764s) started
T01 << 1462350623.70456910 Send coefs to domains (24.78143s) stopped
T01 << 1462350623.70482707 Blacs Orbital Layouts (1349.99868s) stopped
T01 >> 1462350623.70488405 Calculate projections (1236.53279s) started
T01 << 1462350626.20807505 Calculate projections (1239.03598s) stopped
T01 << 1462350626.20831990 LCAO eigensolver (3935.90719s) stopped
T01 >> 1462350626.20902491 Density (960.75688s) started
T01 >> 1462350626.20903802 Pseudo density (794.11408s) started
T01 >> 1462350626.20945191 Calculate density matrix (713.59699s) started
T01 << 1462350627.81237292 Calculate density matrix (715.19991s) stopped
T01 >> 1462350627.81246495 Construct density (79.39659s) started
T01 << 1462350627.98984909 Construct density (79.57397s) stopped
T01 >> 1462350627.99127793 Symmetrize density (0.02013s) started
T01 << 1462350627.99131203 Symmetrize density (0.02017s) stopped
T01 << 1462350627.99177408 Pseudo density (795.89681s) stopped
T01 >> 1462350627.99179411 Atomic density matrices (110.41828s) started
T01 << 1462350628.23685288 Atomic density matrices (110.66334s) stopped
T01 >> 1462350628.23689389 Multipole moments (1.78863s) started
T01 << 1462350628.24088407 Multipole moments (1.79262s) stopped
T01 >> 1462350628.24090600 Normalize (0.49386s) started
T01 << 1462350628.24198699 Normalize (0.49494s) stopped
T01 >> 1462350628.24202299 Mix (53.91151s) started
T01 << 1462350628.36168408 Mix (54.03117s) stopped
T01 << 1462350628.36177611 Density (962.90963s) stopped
T01 >> 1462350628.36186600 Hamiltonian (10921.18919s) started
T01 >> 1462350628.36188602 vbar (6.46623s) started
T01 << 1462350628.37745190 vbar (6.48180s) stopped
T01 >> 1462350628.37753296 XC 3D grid (4738.31873s) started
T01 >> 1462350628.55299401 van der Waals (4573.27416s) started
T01 >> 1462350628.59807611 semilocal (1031.15755s) started
T01 << 1462350630.81215811 semilocal (1033.37163s) stopped
T01 >> 1462350630.84401703 redistribute (502.15963s) started
T01 << 1462350631.23456502 redistribute (502.55018s) stopped
T01 >> 1462350631.23462892 libvdwxc nonlocal (3004.95367s) started
T01 << 1462350637.83820796 libvdwxc nonlocal (3011.55725s) stopped
T01 >> 1462350637.83828211 redistribute (502.55022s) started
T01 << 1462350638.49031711 redistribute (503.20225s) stopped
T01 << 1462350638.49134302 van der Waals (4583.21251s) stopped
T01 << 1462350638.67473006 XC 3D grid (4748.61593s) stopped
T01 >> 1462350638.67477894 Poisson (978.50397s) started
T01 << 1462350640.46333408 Poisson (980.29253s) stopped
T01 >> 1462350640.46341205 Hartree integrate/restrict (37.51458s) started
T01 << 1462350640.48038602 Hartree integrate/restrict (37.53156s) stopped
T01 >> 1462350640.48051000 Hartree integrate/restrict (37.53165s) started
T01 << 1462350640.54375100 Hartree integrate/restrict (37.59489s) stopped
T01 >> 1462350640.56805205 Atomic (2929.35261s) started
T01 >> 1462350640.57814908 XC Correction (2923.34270s) started
T01 << 1462350647.04834604 XC Correction (2929.81290s) stopped
T01 << 1462350647.05146503 Atomic (2935.83602s) stopped
T01 >> 1462350647.05161595 Communicate (2221.18563s) started
T01 << 1462350651.56917691 Communicate (2225.70319s) stopped
T01 << 1462350651.56921101 Hamiltonian (10944.39654s) stopped
T01 >> 1462350651.56933188 LCAO eigensolver (3935.90721s) started
T01 >> 1462350651.56934690 Potential matrix (126.19989s) started
T01 << 1462350651.83277106 Potential matrix (126.46331s) stopped
T01 >> 1462350651.83284712 DistributedAtomicCorrection (653.89302s) started
T01 << 1462350653.17923808 DistributedAtomicCorrection (655.23941s) stopped
T01 >> 1462350653.17933011 Distribute overlap matrix (566.36371s) started
T01 >> 1462350653.17935300 blocked summation (536.88818s) started
T01 << 1462350654.30301809 blocked summation (538.01184s) stopped
T01 >> 1462350654.30540204 Scalapack redistribute (28.71097s) started
T01 << 1462350654.36154890 Scalapack redistribute (28.76712s) stopped
T01 << 1462350654.36162901 Distribute overlap matrix (567.54601s) stopped
T01 >> 1462350654.36222601 Blacs Orbital Layouts (1349.99870s) started
T01 >> 1462350654.36337709 General diagonalize (1323.01866s) started
T01 << 1462350657.08689189 General diagonalize (1325.74218s) stopped
T01 >> 1462350657.08695602 Redistribute coefs (1.45492s) started
T01 << 1462350657.08951402 Redistribute coefs (1.45748s) stopped
T01 >> 1462350657.08959603 Send coefs to domains (24.78147s) started
T01 << 1462350657.14343405 Send coefs to domains (24.83531s) stopped
T01 << 1462350657.14374399 Blacs Orbital Layouts (1352.78022s) stopped
T01 >> 1462350657.14380097 Calculate projections (1239.03603s) started
T01 << 1462350659.64724207 Calculate projections (1241.53947s) stopped
T01 << 1462350659.64766598 LCAO eigensolver (3943.98554s) stopped
T01 >> 1462350659.64836502 Density (962.90965s) started
T01 >> 1462350659.64837790 Pseudo density (795.89683s) started
T01 >> 1462350659.64880610 Calculate density matrix (715.19996s) started
T01 << 1462350661.24364805 Calculate density matrix (716.79480s) stopped
T01 >> 1462350661.24374509 Construct density (79.57401s) started
T01 << 1462350661.42003107 Construct density (79.75029s) stopped
T01 >> 1462350661.42149711 Symmetrize density (0.02018s) started
T01 << 1462350661.42153096 Symmetrize density (0.02021s) stopped
T01 << 1462350661.42199993 Pseudo density (797.67045s) stopped
T01 >> 1462350661.42201996 Atomic density matrices (110.66337s) started
T01 << 1462350661.66840696 Atomic density matrices (110.90976s) stopped
T01 >> 1462350661.66844702 Multipole moments (1.79264s) started
T01 << 1462350661.67241907 Multipole moments (1.79661s) stopped
T01 >> 1462350661.67244196 Normalize (0.49496s) started
T01 << 1462350661.67350888 Normalize (0.49603s) stopped
T01 >> 1462350661.67354488 Mix (54.03126s) started
T01 << 1462350661.79186106 Mix (54.14957s) stopped
T01 << 1462350661.79195189 Density (965.05324s) stopped
T01 >> 1462350661.79203296 Hamiltonian (10944.39655s) started
T01 >> 1462350661.79205108 vbar (6.48184s) started
T01 << 1462350661.80763197 vbar (6.49743s) stopped
T01 >> 1462350661.80774689 XC 3D grid (4748.61596s) started
T01 >> 1462350661.98611498 van der Waals (4583.21255s) started
T01 >> 1462350662.03121710 semilocal (1033.37173s) started
T01 << 1462350664.24389696 semilocal (1035.58441s) stopped
T01 >> 1462350664.27589297 redistribute (503.20229s) started
T01 << 1462350664.66199303 redistribute (503.58839s) stopped
T01 >> 1462350664.66205812 libvdwxc nonlocal (3011.55730s) started
T01 << 1462350671.20776010 libvdwxc nonlocal (3018.10300s) stopped
T01 >> 1462350671.20782495 redistribute (503.58843s) started
T01 << 1462350671.86690307 redistribute (504.24751s) stopped
T01 << 1462350671.86796308 van der Waals (4593.09440s) stopped
T01 << 1462350672.05020905 XC 3D grid (4758.85843s) stopped
T01 >> 1462350672.05027890 Poisson (980.29258s) started
T01 << 1462350673.83310795 Poisson (982.07541s) stopped
T01 >> 1462350673.83322191 Hartree integrate/restrict (37.59493s) started
T01 << 1462350673.85014701 Hartree integrate/restrict (37.61185s) stopped
T01 >> 1462350673.85027099 Hartree integrate/restrict (37.61194s) started
T01 << 1462350673.91856194 Hartree integrate/restrict (37.68023s) stopped
T01 >> 1462350673.93784094 Atomic (2935.83604s) started
T01 >> 1462350673.94793510 XC Correction (2929.81292s) started
T01 << 1462350680.40245509 XC Correction (2936.26744s) stopped
T01 << 1462350680.40558505 Atomic (2942.30379s) stopped
T01 >> 1462350680.40573907 Communicate (2225.70321s) started
T01 << 1462350684.97025895 Communicate (2230.26773s) stopped
T01 << 1462350684.97029400 Hamiltonian (10967.57481s) stopped
T01 >> 1462350684.97041202 LCAO eigensolver (3943.98556s) started
T01 >> 1462350684.97042608 Potential matrix (126.46335s) started
T01 << 1462350685.23305297 Potential matrix (126.72598s) stopped
T01 >> 1462350685.23312998 DistributedAtomicCorrection (655.23947s) started
T01 << 1462350686.58685899 DistributedAtomicCorrection (656.59320s) stopped
T01 >> 1462350686.58692098 Distribute overlap matrix (567.54602s) started
T01 >> 1462350686.58694291 blocked summation (538.01188s) started
T01 << 1462350687.72716093 blocked summation (539.15210s) stopped
T01 >> 1462350687.72889400 Scalapack redistribute (28.76716s) started
T01 << 1462350687.78720498 Scalapack redistribute (28.82547s) stopped
T01 << 1462350687.78728390 Distribute overlap matrix (568.74638s) stopped
T01 >> 1462350687.78787303 Blacs Orbital Layouts (1352.78024s) started
T01 >> 1462350687.78902602 General diagonalize (1325.74222s) started
T01 << 1462350690.50102210 General diagonalize (1328.45421s) stopped
T01 >> 1462350690.50108504 Redistribute coefs (1.45751s) started
T01 << 1462350690.50464296 Redistribute coefs (1.46107s) stopped
T01 >> 1462350690.50469398 Send coefs to domains (24.83535s) started
T01 << 1462350690.55686307 Send coefs to domains (24.88752s) stopped
T01 << 1462350690.55714202 Blacs Orbital Layouts (1355.54951s) stopped
T01 >> 1462350690.55719399 Calculate projections (1241.53952s) started
T01 << 1462350693.06036305 Calculate projections (1244.04269s) stopped
T01 << 1462350693.06061792 LCAO eigensolver (3952.07577s) stopped
T01 >> 1462350693.06132889 Density (965.05325s) started
T01 >> 1462350693.06134200 Pseudo density (797.67046s) started
T01 >> 1462350693.06176496 Calculate density matrix (716.79485s) started
T01 << 1462350694.66042495 Calculate density matrix (718.39351s) stopped
T01 >> 1462350694.66051793 Construct density (79.75033s) started
T01 << 1462350694.83789492 Construct density (79.92771s) stopped
T01 >> 1462350694.83932710 Symmetrize density (0.02022s) started
T01 << 1462350694.83936095 Symmetrize density (0.02026s) stopped
T01 << 1462350694.83981800 Pseudo density (799.44894s) stopped
T01 >> 1462350694.83983803 Atomic density matrices (110.90978s) started
T01 << 1462350695.08526492 Atomic density matrices (111.15521s) stopped
T01 >> 1462350695.08530593 Multipole moments (1.79662s) started
T01 << 1462350695.08933902 Multipole moments (1.80066s) stopped
T01 >> 1462350695.08936095 Normalize (0.49606s) started
T01 << 1462350695.09041810 Normalize (0.49711s) stopped
T01 >> 1462350695.09045291 Mix (54.14966s) started
T01 << 1462350695.20964694 Mix (54.26886s) stopped
T01 << 1462350695.20972109 Density (967.20165s) stopped
T01 >> 1462350695.20979810 Hamiltonian (10967.57482s) started
T01 >> 1462350695.20981693 vbar (6.49749s) started
T01 << 1462350695.22555900 vbar (6.51324s) stopped
T01 >> 1462350695.22564793 XC 3D grid (4758.85848s) started
T01 >> 1462350695.40589499 van der Waals (4593.09445s) started
T01 >> 1462350695.44930792 semilocal (1035.58446s) started
T01 << 1462350697.67548203 semilocal (1037.81064s) stopped
T01 >> 1462350697.70646596 redistribute (504.24756s) started
T01 << 1462350698.08435893 redistribute (504.62546s) stopped
T01 >> 1462350698.08442402 libvdwxc nonlocal (3018.10304s) started
T01 << 1462350704.62723899 libvdwxc nonlocal (3024.64585s) stopped
T01 >> 1462350704.62729597 redistribute (504.62549s) started
T01 << 1462350705.29117894 redistribute (505.28938s) stopped
T01 << 1462350705.29248691 van der Waals (4602.98104s) stopped
T01 << 1462350705.46671796 XC 3D grid (4769.09955s) stopped
T01 >> 1462350705.46676898 Poisson (982.07550s) started
T01 << 1462350706.67043710 Poisson (983.27916s) stopped
T01 >> 1462350706.67051792 Hartree integrate/restrict (37.68028s) started
T01 << 1462350706.68752909 Hartree integrate/restrict (37.69729s) stopped
T01 >> 1462350706.68760896 Hartree integrate/restrict (37.69734s) started
T01 << 1462350706.75200295 Hartree integrate/restrict (37.76173s) stopped
T01 >> 1462350706.77352309 Atomic (2942.30380s) started
T01 >> 1462350706.78352904 XC Correction (2936.26747s) started
T01 << 1462350713.17700410 XC Correction (2942.66094s) stopped
T01 << 1462350713.18016005 Atomic (2948.71044s) stopped
T01 >> 1462350713.18031096 Communicate (2230.26775s) started
T01 << 1462350717.78146291 Communicate (2234.86891s) stopped
T01 << 1462350717.78149796 Hamiltonian (10990.14652s) stopped
T01 >> 1462350717.78161693 LCAO eigensolver (3952.07579s) started
T01 >> 1462350717.78163099 Potential matrix (126.72602s) started
T01 << 1462350718.04540896 Potential matrix (126.98980s) stopped
T01 >> 1462350718.04548502 DistributedAtomicCorrection (656.59324s) started
T01 << 1462350719.38801289 DistributedAtomicCorrection (657.93577s) stopped
T01 >> 1462350719.38807392 Distribute overlap matrix (568.74639s) started
T01 >> 1462350719.38809609 blocked summation (539.15214s) started
T01 << 1462350720.54377007 blocked summation (540.30781s) stopped
T01 >> 1462350720.54538989 Scalapack redistribute (28.82550s) started
T01 << 1462350720.60285091 Scalapack redistribute (28.88296s) stopped
T01 << 1462350720.60293293 Distribute overlap matrix (569.96125s) stopped
T01 >> 1462350720.60354996 Blacs Orbital Layouts (1355.54953s) started
T01 >> 1462350720.60471392 General diagonalize (1328.45425s) started
T01 << 1462350723.31147695 General diagonalize (1331.16102s) stopped
T01 >> 1462350723.31154108 Redistribute coefs (1.46111s) started
T01 << 1462350723.31510806 Redistribute coefs (1.46468s) stopped
T01 >> 1462350723.31515598 Send coefs to domains (24.88756s) started
T01 << 1462350723.36752605 Send coefs to domains (24.93993s) stopped
T01 << 1462350723.36780095 Blacs Orbital Layouts (1358.31378s) stopped
T01 >> 1462350723.36785698 Calculate projections (1244.04273s) started
T01 << 1462350725.87100410 Calculate projections (1246.54588s) stopped
T01 << 1462350725.87126493 LCAO eigensolver (3960.16543s) stopped
T01 >> 1462350725.87196589 Density (967.20166s) started
T01 >> 1462350725.87197900 Pseudo density (799.44895s) started
T01 >> 1462350725.87239909 Calculate density matrix (718.39355s) started
T01 << 1462350727.47572589 Calculate density matrix (719.99688s) stopped
T01 >> 1462350727.47582102 Construct density (79.92774s) started
T01 << 1462350727.65313792 Construct density (80.10506s) stopped
T01 >> 1462350727.65546298 Symmetrize density (0.02027s) started
T01 << 1462350727.65549588 Symmetrize density (0.02030s) stopped
T01 << 1462350727.65595007 Pseudo density (801.23293s) stopped
T01 >> 1462350727.65597010 Atomic density matrices (111.15524s) started
T01 << 1462350727.90084100 Atomic density matrices (111.40011s) stopped
T01 >> 1462350727.90088201 Multipole moments (1.80067s) started
T01 << 1462350727.90490294 Multipole moments (1.80469s) stopped
T01 >> 1462350727.90492606 Normalize (0.49714s) started
T01 << 1462350727.90600395 Normalize (0.49822s) stopped
T01 >> 1462350727.90603995 Mix (54.26893s) started
T01 << 1462350728.02506089 Mix (54.38795s) stopped
T01 << 1462350728.02511001 Density (969.35481s) stopped
T01 >> 1462350728.02519107 Hamiltonian (10990.14654s) started
T01 >> 1462350728.02521300 vbar (6.51329s) started
T01 << 1462350728.04090405 vbar (6.52898s) stopped
T01 >> 1462350728.04097199 XC 3D grid (4769.09959s) started
T01 >> 1462350728.21951604 van der Waals (4602.98114s) started
T01 >> 1462350728.26434898 semilocal (1037.81071s) started
T01 << 1462350730.48169994 semilocal (1040.02807s) stopped
T01 >> 1462350730.51424909 redistribute (505.28946s) started
T01 << 1462350730.90856600 redistribute (505.68378s) stopped
T01 >> 1462350730.90862989 libvdwxc nonlocal (3024.64589s) started
T01 << 1462350737.49069691 libvdwxc nonlocal (3031.22796s) stopped
T01 >> 1462350737.49076796 redistribute (505.68382s) started
T01 << 1462350738.16108108 redistribute (506.35413s) stopped
T01 << 1462350738.16257095 van der Waals (4612.92420s) stopped
T01 << 1462350738.33401895 XC 3D grid (4779.39264s) stopped
T01 >> 1462350738.33406401 Poisson (983.27922s) started
T01 << 1462350740.12386799 Poisson (985.06903s) stopped
T01 >> 1462350740.12395906 Hartree integrate/restrict (37.76177s) started
T01 << 1462350740.14105296 Hartree integrate/restrict (37.77886s) stopped
T01 >> 1462350740.14115500 Hartree integrate/restrict (37.77894s) started
T01 << 1462350740.21044111 Hartree integrate/restrict (37.84823s) stopped
T01 >> 1462350740.22841001 Atomic (2948.71046s) started
T01 >> 1462350740.23851395 XC Correction (2942.66099s) started
T01 << 1462350746.64991403 XC Correction (2949.07239s) stopped
T01 << 1462350746.65304399 Atomic (2955.13509s) stopped
T01 >> 1462350746.65319610 Communicate (2234.86893s) started
T01 << 1462350751.20186090 Communicate (2239.41759s) stopped
T01 << 1462350751.20189309 Hamiltonian (11013.32324s) stopped
T01 >> 1462350751.20201206 LCAO eigensolver (3960.16545s) started
T01 >> 1462350751.20202589 Potential matrix (126.98984s) started
T01 << 1462350751.46820211 Potential matrix (127.25602s) stopped
T01 >> 1462350751.46828103 DistributedAtomicCorrection (657.93581s) started
T01 << 1462350752.82699990 DistributedAtomicCorrection (659.29453s) stopped
T01 >> 1462350752.82706094 Distribute overlap matrix (569.96126s) started
T01 >> 1462350752.82708311 blocked summation (540.30785s) started
T01 << 1462350753.95278692 blocked summation (541.43356s) stopped
T01 >> 1462350753.95474410 Scalapack redistribute (28.88301s) started
T01 << 1462350754.01445508 Scalapack redistribute (28.94272s) stopped
T01 << 1462350754.01453805 Distribute overlap matrix (571.14874s) stopped
T01 >> 1462350754.01515508 Blacs Orbital Layouts (1358.31379s) started
T01 >> 1462350754.01630306 General diagonalize (1331.16105s) started
T01 << 1462350756.73299098 General diagonalize (1333.87774s) stopped
T01 >> 1462350756.73305511 Redistribute coefs (1.46472s) started
T01 << 1462350756.73611212 Redistribute coefs (1.46777s) stopped
T01 >> 1462350756.73615909 Send coefs to domains (24.93997s) started
T01 << 1462350756.78918505 Send coefs to domains (24.99300s) stopped
T01 << 1462350756.78945708 Blacs Orbital Layouts (1361.08810s) stopped
T01 >> 1462350756.78951001 Calculate projections (1246.54593s) started
T01 << 1462350759.29289007 Calculate projections (1249.04931s) stopped
T01 << 1462350759.29330897 LCAO eigensolver (3968.25675s) stopped
T01 >> 1462350759.29402089 Density (969.35482s) started
T01 >> 1462350759.29403400 Pseudo density (801.23294s) started
T01 >> 1462350759.29445410 Calculate density matrix (719.99693s) started
T01 << 1462350760.89595890 Calculate density matrix (721.59843s) stopped
T01 >> 1462350760.89605308 Construct density (80.10510s) started
T01 << 1462350761.07251406 Construct density (80.28156s) stopped
T01 >> 1462350761.07486200 Symmetrize density (0.02031s) started
T01 << 1462350761.07489491 Symmetrize density (0.02035s) stopped
T01 << 1462350761.07534289 Pseudo density (803.01425s) stopped
T01 >> 1462350761.07536197 Atomic density matrices (111.40014s) started
T01 << 1462350761.32105398 Atomic density matrices (111.64583s) stopped
T01 >> 1462350761.32109499 Multipole moments (1.80471s) started
T01 << 1462350761.32511806 Multipole moments (1.80873s) stopped
T01 >> 1462350761.32514095 Normalize (0.49824s) started
T01 << 1462350761.32621908 Normalize (0.49932s) stopped
T01 >> 1462350761.32625508 Mix (54.38799s) started
T01 << 1462350761.44601011 Mix (54.50775s) stopped
T01 << 1462350761.44606495 Density (971.50686s) stopped
T01 >> 1462350761.44614792 Hamiltonian (11013.32325s) started
T01 >> 1462350761.44616699 vbar (6.52902s) started
T01 << 1462350761.46166897 vbar (6.54452s) stopped
T01 >> 1462350761.46173406 XC 3D grid (4779.39267s) started
T01 >> 1462350761.63945198 van der Waals (4612.92430s) started
T01 >> 1462350761.68396091 semilocal (1040.02817s) started
T01 << 1462350763.89796591 semilocal (1042.24218s) stopped
T01 >> 1462350763.92993999 redistribute (506.35425s) started
T01 << 1462350764.32190800 redistribute (506.74622s) stopped
T01 >> 1462350764.32197309 libvdwxc nonlocal (3031.22800s) started
T01 << 1462350770.88948989 libvdwxc nonlocal (3037.79552s) stopped
T01 >> 1462350770.88957095 redistribute (506.74626s) started
T01 << 1462350771.55758810 redistribute (507.41428s) stopped
T01 << 1462350771.55871201 van der Waals (4622.84356s) stopped
T01 << 1462350771.73021698 XC 3D grid (4789.66116s) stopped
T01 >> 1462350771.73031807 Poisson (985.06910s) started
T01 << 1462350772.93482900 Poisson (986.27361s) stopped
T01 >> 1462350772.93495011 Hartree integrate/restrict (37.84826s) started
T01 << 1462350772.95181799 Hartree integrate/restrict (37.86512s) stopped
T01 >> 1462350772.95194888 Hartree integrate/restrict (37.86522s) started
T01 << 1462350773.01682711 Hartree integrate/restrict (37.93010s) stopped
T01 >> 1462350773.04064488 Atomic (2955.13511s) started
T01 >> 1462350773.05072689 XC Correction (2949.07242s) started
T01 << 1462350779.46716809 XC Correction (2955.48886s) stopped
T01 << 1462350779.47029710 Atomic (2961.56476s) stopped
T01 >> 1462350779.47044802 Communicate (2239.41761s) started
T01 << 1462350784.05033493 Communicate (2243.99750s) stopped
T01 << 1462350784.05036902 Hamiltonian (11035.92747s) stopped
T01 >> 1462350784.05048704 LCAO eigensolver (3968.25677s) started
T01 >> 1462350784.05050111 Potential matrix (127.25606s) started
T01 << 1462350784.31232905 Potential matrix (127.51789s) stopped
T01 >> 1462350784.31240702 DistributedAtomicCorrection (659.29456s) started
T01 << 1462350785.67088103 DistributedAtomicCorrection (660.65304s) stopped
T01 >> 1462350785.67094302 Distribute overlap matrix (571.14875s) started
T01 >> 1462350785.67096496 blocked summation (541.43360s) started
T01 << 1462350786.78601098 blocked summation (542.54864s) stopped
T01 >> 1462350786.78751206 Scalapack redistribute (28.94276s) started
T01 << 1462350786.84683490 Scalapack redistribute (29.00208s) stopped
T01 << 1462350786.84691811 Distribute overlap matrix (572.32473s) stopped
T01 >> 1462350786.84751391 Blacs Orbital Layouts (1361.08811s) started
T01 >> 1462350786.84867096 General diagonalize (1333.87778s) started
T01 << 1462350789.56352592 General diagonalize (1336.59264s) stopped
T01 >> 1462350789.56358790 Redistribute coefs (1.46781s) started
T01 << 1462350789.56710100 Redistribute coefs (1.47132s) stopped
T01 >> 1462350789.56714892 Send coefs to domains (24.99304s) started
T01 << 1462350789.61965704 Send coefs to domains (25.04555s) stopped
T01 << 1462350789.61992311 Blacs Orbital Layouts (1363.86052s) stopped
T01 >> 1462350789.61997294 Calculate projections (1249.04935s) started
T01 << 1462350792.12309790 Calculate projections (1251.55248s) stopped
T01 << 1462350792.12335706 LCAO eigensolver (3976.32964s) stopped
T01 << 1462350792.12407708 SCF-cycle (15984.17546s) stopped
T01 >> 1462350793.02628112 Force calculation (820.51336s) started
T01 >> 1462350793.02633905 LCAO forces (514.45226s) started
T01 >> 1462350793.02669501 Initial (0.00062s) started
T01 << 1462350793.02670598 Initial (0.00063s) stopped
T01 >> 1462350793.03093004 Get density matrix (100.06535s) started
T01 << 1462350793.63762903 Get density matrix (100.67205s) stopped
T01 >> 1462350793.63769794 Potential (36.84756s) started
T01 << 1462350795.03976393 Potential (38.24962s) stopped
T01 >> 1462350795.03982997 Get density matrix (100.67209s) started
T01 << 1462350798.25717211 Get density matrix (103.88943s) stopped
T01 >> 1462350798.25729489 Prepare TCI loop (51.27189s) started
T01 >> 1462350798.25776291 Get neighbors (46.54127s) started
T01 << 1462350800.10250807 Get neighbors (48.38602s) stopped
T01 >> 1462350800.10274410 broadcast dH (4.71234s) started
T01 << 1462350800.16991305 broadcast dH (4.77951s) stopped
T01 << 1462350800.16996002 Prepare TCI loop (53.18456s) stopped
T01 >> 1462350800.16997695 Not so complicated loop (72.30559s) started
T01 << 1462350802.87468100 Not so complicated loop (75.01029s) stopped
T01 >> 1462350803.00144696 Complicated loop (250.35080s) started
T01 << 1462350812.45823407 Complicated loop (259.80758s) stopped
T01 >> 1462350812.46964908 Wait for sum (0.00149s) started
T01 << 1462350812.46969199 Wait for sum (0.00153s) stopped
T01 << 1462350812.46970510 LCAO forces (533.89562s) stopped
T01 << 1462350825.40593696 Force calculation (852.89301s) stopped
T01 >> 1462350825.42374992 Initialization (1396.33623s) started
T01 << 1462350825.42393088 Initialization (1396.33642s) stopped
T01 >> 1462350825.42416406 Initialization (1396.33643s) started
T01 << 1462350825.42429304 Initialization (1396.33656s) stopped
T01 >> 1462350825.42442393 Initialization (1396.33658s) started
T01 << 1462350825.42455101 Initialization (1396.33670s) stopped
T01 >> 1462350845.74862909 Initialization (1396.33673s) started
T01 >> 1462350845.83795810 Basic WFS set positions (2.69031s) started
T01 >> 1462350845.83798504 Redistribute (0.04409s) started
T01 << 1462350845.84100294 Redistribute (0.04711s) stopped
T01 << 1462350845.93587804 Basic WFS set positions (2.78823s) stopped
T01 >> 1462350845.93590593 Basis functions set positions (11.60543s) started
T01 << 1462350846.34637308 Basis functions set positions (12.01590s) stopped
T01 >> 1462350846.34712410 TCI: Calculate S, T, P (418.72262s) started
T01 << 1462350861.52636194 TCI: Calculate S, T, P (433.90186s) stopped
T01 >> 1462350861.52643609 blocked summation (109.98002s) started
T01 << 1462350865.31838703 blocked summation (113.77197s) stopped
T01 >> 1462350865.32003403 Scalapack redistribute (6.46614s) started
T01 << 1462350865.37827301 Scalapack redistribute (6.52438s) stopped
T01 >> 1462350865.37861490 blocked summation (113.77202s) started
T01 << 1462350865.55178094 blocked summation (113.94518s) stopped
T01 >> 1462350865.55344200 Scalapack redistribute (6.52444s) started
T01 << 1462350865.75586200 Scalapack redistribute (6.72686s) stopped
T01 >> 1462350865.75731492 Redistribute (0.05525s) started
T01 << 1462350865.75831294 Redistribute (0.05624s) stopped
T01 >> 1462350866.68194294 Redistribute (0.05626s) started
T01 << 1462350866.68294692 Redistribute (0.05727s) stopped
T01 >> 1462350866.69223809 LCAO WFS Initialize (817.19821s) started
T01 >> 1462350866.69226789 Density initialize from wavefunctions (32.75619s) started
T01 >> 1462350866.69268703 Calculate density matrix (19.03450s) started
T01 << 1462350867.39640093 Calculate density matrix (19.73821s) stopped
T01 >> 1462350867.39646506 Construct density (4.65564s) started
T01 << 1462350867.57380199 Construct density (4.83298s) stopped
T01 >> 1462350867.57544088 Symmetrize density (0.00115s) started
T01 << 1462350867.57547402 Symmetrize density (0.00119s) stopped
T01 << 1462350867.91650891 Density initialize from wavefunctions (33.98043s) stopped
T01 >> 1462350867.91697407 Hamiltonian (784.23090s) started
T01 >> 1462350867.91700196 vbar (0.40228s) started
T01 << 1462350867.93249011 vbar (0.41776s) stopped
T01 >> 1462350867.93255997 XC 3D grid (286.93703s) started
T01 >> 1462350868.11381412 van der Waals (276.95322s) started
T01 >> 1462350868.15850091 semilocal (62.08502s) started
T01 << 1462350870.39115191 semilocal (64.31767s) stopped
T01 >> 1462350870.42373490 redistribute (30.10615s) started
T01 << 1462350870.80085301 redistribute (30.48327s) stopped
T01 >> 1462350870.80090308 libvdwxc nonlocal (182.64645s) started
T01 << 1462350877.41398096 libvdwxc nonlocal (189.25952s) stopped
T01 >> 1462350877.41403294 redistribute (30.48331s) started
T01 << 1462350878.06295204 redistribute (31.13223s) stopped
T01 << 1462350878.06425309 van der Waals (286.90366s) stopped
T01 << 1462350878.24342203 XC 3D grid (297.24789s) stopped
T01 >> 1462350878.24346900 Poisson (133.03766s) started
T01 << 1462350882.92082310 Poisson (137.71501s) stopped
T01 >> 1462350882.92091107 Hartree integrate/restrict (2.24658s) started
T01 << 1462350882.93801093 Hartree integrate/restrict (2.26368s) stopped
T01 >> 1462350882.93808508 Hartree integrate/restrict (2.26373s) started
T01 << 1462350883.00095797 Hartree integrate/restrict (2.32661s) stopped
T01 >> 1462350883.02148890 Atomic (187.26155s) started
T01 >> 1462350883.03193593 XC Correction (186.88946s) started
T01 << 1462350889.72764397 XC Correction (193.58517s) stopped
T01 << 1462350889.73072910 Atomic (193.97079s) stopped
T01 >> 1462350889.73093700 Communicate (173.73138s) started
T01 << 1462350896.04981494 Communicate (180.05026s) stopped
T01 << 1462350896.04985094 Hamiltonian (812.36377s) stopped
T01 << 1462350896.04990602 LCAO WFS Initialize (846.55588s) stopped
T01 << 1462350896.06241798 Initialization (1446.65051s) stopped
T01 >> 1462350896.08780694 SCF-cycle (15984.17548s) started
T01 >> 1462350896.08784604 LCAO eigensolver (3976.32965s) started
T01 >> 1462350896.08785796 Potential matrix (127.51793s) started
T01 << 1462350896.35125995 Potential matrix (127.78134s) stopped
T01 >> 1462350896.35134101 DistributedAtomicCorrection (660.65308s) started
T01 << 1462350897.67806005 DistributedAtomicCorrection (661.97979s) stopped
T01 >> 1462350897.67811799 Distribute overlap matrix (572.32474s) started
T01 >> 1462350897.67813993 blocked summation (542.54868s) started
T01 << 1462350898.82816195 blocked summation (543.69870s) stopped
T01 >> 1462350898.82965589 Scalapack redistribute (29.00212s) started
T01 << 1462350898.88952899 Scalapack redistribute (29.06199s) stopped
T01 << 1462350898.88960910 Distribute overlap matrix (573.53623s) stopped
T01 >> 1462350898.89018989 Blacs Orbital Layouts (1363.86054s) started
T01 >> 1462350898.89155006 General diagonalize (1336.59267s) started
T01 << 1462350901.61882901 General diagonalize (1339.31995s) stopped
T01 >> 1462350901.61887908 Redistribute coefs (1.47136s) started
T01 << 1462350901.62159991 Redistribute coefs (1.47408s) stopped
T01 >> 1462350901.62164807 Send coefs to domains (25.04560s) started
T01 << 1462350901.67522693 Send coefs to domains (25.09917s) stopped
T01 << 1462350901.67558002 Blacs Orbital Layouts (1366.64593s) stopped
T01 >> 1462350901.67561412 Calculate projections (1251.55253s) started
T01 << 1462350904.14167404 Calculate projections (1254.01859s) stopped
T01 << 1462350904.14174390 LCAO eigensolver (3984.38355s) stopped
T01 >> 1462350904.14236498 Density (971.50688s) started
T01 >> 1462350904.14237690 Pseudo density (803.01426s) started
T01 >> 1462350904.14284205 Calculate density matrix (721.59848s) started
T01 << 1462350905.79361296 Calculate density matrix (723.24925s) stopped
T01 >> 1462350905.79368496 Construct density (80.28159s) started
T01 << 1462350905.97125697 Construct density (80.45916s) stopped
T01 >> 1462350905.97268200 Symmetrize density (0.02036s) started
T01 << 1462350905.97271609 Symmetrize density (0.02039s) stopped
T01 << 1462350905.97318697 Pseudo density (804.84507s) stopped
T01 >> 1462350905.97320700 Atomic density matrices (111.64586s) started
T01 << 1462350906.22055888 Atomic density matrices (111.89321s) stopped
T01 >> 1462350906.22060108 Multipole moments (1.80875s) started
T01 << 1462350906.22463608 Multipole moments (1.81278s) stopped
T01 >> 1462350906.22466111 Normalize (0.49935s) started
T01 << 1462350906.22579503 Normalize (0.50048s) stopped
T01 >> 1462350906.22583199 Mix (54.50780s) started
T01 << 1462350906.33122110 Mix (54.61319s) stopped
T01 << 1462350906.33130193 Density (973.69581s) stopped
T01 >> 1462350906.33138895 Hamiltonian (11035.92749s) started
T01 >> 1462350906.33140707 vbar (6.54455s) started
T01 << 1462350906.34635401 vbar (6.55950s) stopped
T01 >> 1462350906.34645295 XC 3D grid (4789.66124s) started
T01 >> 1462350906.52810907 van der Waals (4622.84361s) started
T01 >> 1462350906.57163095 semilocal (1042.24229s) started
T01 << 1462350908.79818010 semilocal (1044.46884s) stopped
T01 >> 1462350908.82871795 redistribute (507.41433s) started
T01 << 1462350909.20461106 redistribute (507.79022s) stopped
T01 >> 1462350909.20468307 libvdwxc nonlocal (3037.79558s) started
T01 << 1462350915.79742503 libvdwxc nonlocal (3044.38832s) stopped
T01 >> 1462350915.79748988 redistribute (507.79026s) started
T01 << 1462350916.44911695 redistribute (508.44189s) stopped
T01 << 1462350916.45031905 van der Waals (4632.76582s) stopped
T01 << 1462350916.63280797 XC 3D grid (4799.94760s) stopped
T01 >> 1462350916.63286901 Poisson (986.27370s) started
T01 << 1462350918.99963808 Poisson (988.64047s) stopped
T01 >> 1462350918.99974394 Hartree integrate/restrict (37.93013s) started
T01 << 1462350919.01681399 Hartree integrate/restrict (37.94720s) stopped
T01 >> 1462350919.01693892 Hartree integrate/restrict (37.94728s) started
T01 << 1462350919.08122897 Hartree integrate/restrict (38.01157s) stopped
T01 >> 1462350919.10524297 Atomic (2961.56478s) started
T01 >> 1462350919.11530805 XC Correction (2955.48889s) started
T01 << 1462350925.78468704 XC Correction (2962.15826s) stopped
T01 << 1462350925.78768992 Atomic (2968.24723s) stopped
T01 >> 1462350925.78778911 Communicate (2243.99752s) started
T01 << 1462350931.94756603 Communicate (2250.15730s) stopped
T01 << 1462350931.94760108 Hamiltonian (11061.54370s) stopped
T01 >> 1462350931.94768810 LCAO eigensolver (3984.38356s) started
T01 >> 1462350931.94770193 Potential matrix (127.78138s) started
T01 << 1462350932.21023703 Potential matrix (128.04392s) stopped
T01 >> 1462350932.21031499 DistributedAtomicCorrection (661.97983s) started
T01 << 1462350933.53625703 DistributedAtomicCorrection (663.30577s) stopped
T01 >> 1462350933.53631496 Distribute overlap matrix (573.53624s) started
T01 >> 1462350933.53633595 blocked summation (543.69874s) started
T01 << 1462350934.68853211 blocked summation (544.85093s) stopped
T01 >> 1462350934.69002604 Scalapack redistribute (29.06203s) started
T01 << 1462350934.75165701 Scalapack redistribute (29.12366s) stopped
T01 << 1462350934.75174093 Distribute overlap matrix (574.75167s) stopped
T01 >> 1462350934.75232196 Blacs Orbital Layouts (1366.64595s) started
T01 >> 1462350934.75367403 General diagonalize (1339.31999s) started
T01 << 1462350937.47171688 General diagonalize (1342.03803s) stopped
T01 >> 1462350937.47178197 Redistribute coefs (1.47412s) started
T01 << 1462350937.47463298 Redistribute coefs (1.47697s) stopped
T01 >> 1462350937.47471690 Send coefs to domains (25.09922s) started
T01 << 1462350937.52790689 Send coefs to domains (25.15241s) stopped
T01 << 1462350937.52822900 Blacs Orbital Layouts (1369.42185s) stopped
T01 >> 1462350937.52828503 Calculate projections (1254.01863s) started
T01 << 1462350939.99440694 Calculate projections (1256.48475s) stopped
T01 << 1462350939.99447608 LCAO eigensolver (3992.43035s) stopped
T01 >> 1462350939.99511695 Density (973.69583s) started
T01 >> 1462350939.99513006 Pseudo density (804.84509s) started
T01 >> 1462350939.99560905 Calculate density matrix (723.24929s) started
T01 << 1462350941.62964511 Calculate density matrix (724.88333s) stopped
T01 >> 1462350941.62971210 Construct density (80.45920s) started
T01 << 1462350941.80741596 Construct density (80.63690s) stopped
T01 >> 1462350941.80883694 Symmetrize density (0.02040s) started
T01 << 1462350941.80887008 Symmetrize density (0.02044s) stopped
T01 << 1462350941.80933905 Pseudo density (806.65930s) stopped
T01 >> 1462350941.80935907 Atomic density matrices (111.89324s) started
T01 << 1462350942.05763602 Atomic density matrices (112.14152s) stopped
T01 >> 1462350942.05768108 Multipole moments (1.81280s) started
T01 << 1462350942.06167603 Multipole moments (1.81679s) stopped
T01 >> 1462350942.06169891 Normalize (0.50051s) started
T01 << 1462350942.06285095 Normalize (0.50166s) stopped
T01 >> 1462350942.06288695 Mix (54.61327s) started
T01 << 1462350942.16980910 Mix (54.72019s) stopped
T01 << 1462350942.16988802 Density (975.87060s) stopped
T01 >> 1462350942.16996598 Hamiltonian (11061.54371s) started
T01 >> 1462350942.16998506 vbar (6.55956s) started
T01 << 1462350942.18575001 vbar (6.57532s) stopped
T01 >> 1462350942.18588209 XC 3D grid (4799.94765s) started
T01 >> 1462350942.36511397 van der Waals (4632.76587s) started
T01 >> 1462350942.41038108 semilocal (1044.46893s) started
T01 << 1462350944.65155196 semilocal (1046.71010s) stopped
T01 >> 1462350944.68358397 redistribute (508.44193s) started
T01 << 1462350945.05471611 redistribute (508.81307s) stopped
T01 >> 1462350945.05478311 libvdwxc nonlocal (3044.38837s) started
T01 << 1462350951.61189890 libvdwxc nonlocal (3050.94548s) stopped
T01 >> 1462350951.61197400 redistribute (508.81310s) started
T01 << 1462350952.26709509 redistribute (509.46822s) stopped
T01 << 1462350952.26813507 van der Waals (4642.66889s) stopped
T01 << 1462350952.44973803 XC 3D grid (4810.21150s) stopped
T01 >> 1462350952.44978189 Poisson (988.64055s) started
T01 << 1462350954.81124401 Poisson (991.00202s) stopped
T01 >> 1462350954.81132793 Hartree integrate/restrict (38.01161s) started
T01 << 1462350954.82834005 Hartree integrate/restrict (38.02862s) stopped
T01 >> 1462350954.82843089 Hartree integrate/restrict (38.02869s) started
T01 << 1462350954.89183497 Hartree integrate/restrict (38.09210s) stopped
T01 >> 1462350954.91220188 Atomic (2968.24724s) started
T01 >> 1462350954.92226100 XC Correction (2962.15829s) started
T01 << 1462350961.18700004 XC Correction (2968.42303s) stopped
T01 << 1462350961.19000006 Atomic (2974.52504s) stopped
T01 >> 1462350961.19010091 Communicate (2250.15732s) started
T01 << 1462350967.10841608 Communicate (2256.07564s) stopped
T01 << 1462350967.10844994 Hamiltonian (11086.48220s) stopped
T01 >> 1462350967.10853291 LCAO eigensolver (3992.43037s) started
T01 >> 1462350967.10854697 Potential matrix (128.04396s) started
T01 << 1462350967.37111712 Potential matrix (128.30653s) stopped
T01 >> 1462350967.37119603 DistributedAtomicCorrection (663.30581s) started
T01 << 1462350968.68973589 DistributedAtomicCorrection (664.62435s) stopped
T01 >> 1462350968.68979406 Distribute overlap matrix (574.75168s) started
T01 >> 1462350968.68981600 blocked summation (544.85097s) started
T01 << 1462350969.85668492 blocked summation (546.01784s) stopped
T01 >> 1462350969.85819292 Scalapack redistribute (29.12370s) started
T01 << 1462350969.91928411 Scalapack redistribute (29.18479s) stopped
T01 << 1462350969.91936398 Distribute overlap matrix (575.98125s) stopped
T01 >> 1462350969.91994691 Blacs Orbital Layouts (1369.42187s) started
T01 >> 1462350969.92129207 General diagonalize (1342.03807s) started
T01 << 1462350972.63128400 General diagonalize (1344.74806s) stopped
T01 >> 1462350972.63134909 Redistribute coefs (1.47701s) started
T01 << 1462350972.63396907 Redistribute coefs (1.47963s) stopped
T01 >> 1462350972.63405395 Send coefs to domains (25.15245s) started
T01 << 1462350972.68738699 Send coefs to domains (25.20578s) stopped
T01 << 1462350972.68772507 Blacs Orbital Layouts (1372.18965s) stopped
T01 >> 1462350972.68778896 Calculate projections (1256.48480s) started
T01 << 1462350975.15386510 Calculate projections (1258.95087s) stopped
T01 << 1462350975.15393806 LCAO eigensolver (4000.47577s) stopped
T01 >> 1462350975.15463901 Density (975.87061s) started
T01 >> 1462350975.15465212 Pseudo density (806.65931s) started
T01 >> 1462350975.15512109 Calculate density matrix (724.88337s) started
T01 << 1462350976.78668690 Calculate density matrix (726.51494s) stopped
T01 >> 1462350976.78677011 Construct density (80.63694s) started
T01 << 1462350976.96439290 Construct density (80.81456s) stopped
T01 >> 1462350976.96583009 Symmetrize density (0.02045s) started
T01 << 1462350976.96586204 Symmetrize density (0.02048s) stopped
T01 << 1462350976.96633291 Pseudo density (808.47099s) stopped
T01 >> 1462350976.96635199 Atomic density matrices (112.14155s) started
T01 << 1462350977.21395898 Atomic density matrices (112.38915s) stopped
T01 >> 1462350977.21400094 Multipole moments (1.81681s) started
T01 << 1462350977.21799803 Multipole moments (1.82080s) stopped
T01 >> 1462350977.21802211 Normalize (0.50169s) started
T01 << 1462350977.21914506 Normalize (0.50281s) stopped
T01 >> 1462350977.21918106 Mix (54.72027s) started
T01 << 1462350977.32973099 Mix (54.83082s) stopped
T01 << 1462350977.32981300 Density (978.04579s) stopped
T01 >> 1462350977.32989907 Hamiltonian (11086.48221s) started
T01 >> 1462350977.32991791 vbar (6.57541s) started
T01 << 1462350977.34583092 vbar (6.59133s) stopped
T01 >> 1462350977.34594607 XC 3D grid (4810.21154s) started
T01 >> 1462350977.52496004 van der Waals (4642.66893s) started
T01 >> 1462350977.56843901 semilocal (1046.71018s) started
T01 << 1462350979.78507710 semilocal (1048.92681s) stopped
T01 >> 1462350979.81781697 redistribute (509.46827s) started
T01 << 1462350980.21032190 redistribute (509.86077s) stopped
T01 >> 1462350980.21038890 libvdwxc nonlocal (3050.94553s) started
T01 << 1462350986.77166700 libvdwxc nonlocal (3057.50681s) stopped
T01 >> 1462350986.77174401 redistribute (509.86081s) started
T01 << 1462350987.42530203 redistribute (510.51437s) stopped
T01 << 1462350987.42642403 van der Waals (4652.57039s) stopped
T01 << 1462350987.60882306 XC 3D grid (4820.47442s) stopped
T01 >> 1462350987.60886908 Poisson (991.00208s) started
T01 << 1462350989.97487712 Poisson (993.36809s) stopped
T01 >> 1462350989.97495604 Hartree integrate/restrict (38.09213s) started
T01 << 1462350989.99204302 Hartree integrate/restrict (38.10922s) stopped
T01 >> 1462350989.99214911 Hartree integrate/restrict (38.10929s) started
T01 << 1462350990.05596304 Hartree integrate/restrict (38.17311s) stopped
T01 >> 1462350990.07578802 Atomic (2974.52506s) started
T01 >> 1462350990.08580089 XC Correction (2968.42306s) started
T01 << 1462350996.33575511 XC Correction (2974.67301s) stopped
T01 << 1462350996.33876204 Atomic (2980.78803s) stopped
T01 >> 1462350996.33886194 Communicate (2256.07566s) started
T01 << 1462351001.73811007 Communicate (2261.47491s) stopped
T01 << 1462351001.73814392 Hamiltonian (11110.89045s) stopped
T01 >> 1462351001.73822594 LCAO eigensolver (4000.47578s) started
T01 >> 1462351001.73824000 Potential matrix (128.30657s) started
T01 << 1462351002.00121593 Potential matrix (128.56955s) stopped
T01 >> 1462351002.00129390 DistributedAtomicCorrection (664.62439s) started
T01 << 1462351003.32116103 DistributedAtomicCorrection (665.94426s) stopped
T01 >> 1462351003.32121897 Distribute overlap matrix (575.98126s) started
T01 >> 1462351003.32124209 blocked summation (546.01788s) started
T01 << 1462351004.47319889 blocked summation (547.16984s) stopped
T01 >> 1462351004.47475004 Scalapack redistribute (29.18483s) started
T01 << 1462351004.53488302 Scalapack redistribute (29.24496s) stopped
T01 << 1462351004.53496790 Distribute overlap matrix (577.19501s) stopped
T01 >> 1462351004.53553510 Blacs Orbital Layouts (1372.18967s) started
T01 >> 1462351004.53689504 General diagonalize (1344.74810s) started
T01 << 1462351007.22663808 General diagonalize (1347.43784s) stopped
T01 >> 1462351007.22670698 Redistribute coefs (1.47966s) started
T01 << 1462351007.22933102 Redistribute coefs (1.48229s) stopped
T01 >> 1462351007.22941589 Send coefs to domains (25.20583s) started
T01 << 1462351007.28275800 Send coefs to domains (25.25917s) stopped
T01 << 1462351007.28306389 Blacs Orbital Layouts (1374.93720s) stopped
T01 >> 1462351007.28312302 Calculate projections (1258.95092s) started
T01 << 1462351009.74950409 Calculate projections (1261.41730s) stopped
T01 << 1462351009.74957490 LCAO eigensolver (4008.48713s) stopped
T01 >> 1462351009.75030994 Density (978.04580s) started
T01 >> 1462351009.75032210 Pseudo density (808.47100s) started
T01 >> 1462351009.75077891 Calculate density matrix (726.51498s) started
T01 << 1462351011.38331509 Calculate density matrix (728.14752s) stopped
T01 >> 1462351011.38340306 Construct density (80.81459s) started
T01 << 1462351011.56102395 Construct density (80.99221s) stopped
T01 >> 1462351011.56245303 Symmetrize density (0.02049s) started
T01 << 1462351011.56248593 Symmetrize density (0.02053s) stopped
T01 << 1462351011.56295800 Pseudo density (810.28364s) stopped
T01 >> 1462351011.56297708 Atomic density matrices (112.38918s) started
T01 << 1462351011.81082606 Atomic density matrices (112.63703s) stopped
T01 >> 1462351011.81086802 Multipole moments (1.82082s) started
T01 << 1462351011.81483793 Multipole moments (1.82479s) stopped
T01 >> 1462351011.81486011 Normalize (0.50284s) started
T01 << 1462351011.81598902 Normalize (0.50396s) stopped
T01 >> 1462351011.81602502 Mix (54.83089s) started
T01 << 1462351011.92971992 Mix (54.94459s) stopped
T01 << 1462351011.92982006 Density (980.22531s) stopped
T01 >> 1462351011.92990494 Hamiltonian (11110.89047s) started
T01 >> 1462351011.92992401 vbar (6.59139s) started
T01 << 1462351011.94575000 vbar (6.60722s) stopped
T01 >> 1462351011.94586802 XC 3D grid (4820.47445s) started
T01 >> 1462351012.12513399 van der Waals (4652.57043s) started
T01 >> 1462351012.17040110 semilocal (1048.92689s) started
T01 << 1462351014.38919210 semilocal (1051.14568s) stopped
T01 >> 1462351014.42175698 redistribute (510.51442s) started
T01 << 1462351014.81024504 redistribute (510.90290s) stopped
T01 >> 1462351014.81033611 libvdwxc nonlocal (3057.50686s) started
T01 << 1462351021.37188506 libvdwxc nonlocal (3064.06841s) stopped
T01 >> 1462351021.37196112 redistribute (510.90296s) started
T01 << 1462351022.02213812 redistribute (511.55314s) stopped
T01 << 1462351022.02324295 van der Waals (4662.46854s) stopped
T01 << 1462351022.20498109 XC 3D grid (4830.73357s) stopped
T01 >> 1462351022.20504308 Poisson (993.36814s) started
T01 << 1462351024.57516193 Poisson (995.73826s) stopped
T01 >> 1462351024.57526588 Hartree integrate/restrict (38.17314s) started
T01 << 1462351024.59214306 Hartree integrate/restrict (38.19002s) stopped
T01 >> 1462351024.59226894 Hartree integrate/restrict (38.19010s) started
T01 << 1462351024.66106200 Hartree integrate/restrict (38.25890s) stopped
T01 >> 1462351024.67864895 Atomic (2980.78805s) started
T01 >> 1462351024.68869805 XC Correction (2974.67304s) started
T01 << 1462351030.96787000 XC Correction (2980.95221s) stopped
T01 << 1462351030.97090197 Atomic (2987.08030s) stopped
T01 >> 1462351030.97100091 Communicate (2261.47493s) started
T01 << 1462351035.90780210 Communicate (2266.41173s) stopped
T01 << 1462351035.90783501 Hamiltonian (11134.86840s) stopped
T01 >> 1462351035.90791392 LCAO eigensolver (4008.48715s) started
T01 >> 1462351035.90792799 Potential matrix (128.56959s) started
T01 << 1462351036.17097902 Potential matrix (128.83264s) stopped
T01 >> 1462351036.17105699 DistributedAtomicCorrection (665.94430s) started
T01 << 1462351037.49104404 DistributedAtomicCorrection (667.26428s) stopped
T01 >> 1462351037.49110293 Distribute overlap matrix (577.19502s) started
T01 >> 1462351037.49112511 blocked summation (547.16988s) started
T01 << 1462351038.64038396 blocked summation (548.31914s) stopped
T01 >> 1462351038.64183092 Scalapack redistribute (29.24500s) started
T01 << 1462351038.70022798 Scalapack redistribute (29.30340s) stopped
T01 << 1462351038.70030999 Distribute overlap matrix (578.40423s) stopped
T01 >> 1462351038.70089006 Blacs Orbital Layouts (1374.93721s) started
T01 >> 1462351038.70204997 General diagonalize (1347.43788s) started
T01 << 1462351041.41884208 General diagonalize (1350.15468s) stopped
T01 >> 1462351041.41890812 Redistribute coefs (1.48232s) started
T01 << 1462351041.42239690 Redistribute coefs (1.48581s) stopped
T01 >> 1462351041.42244506 Send coefs to domains (25.25921s) started
T01 << 1462351041.47475505 Send coefs to domains (25.31152s) stopped
T01 << 1462351041.47507405 Blacs Orbital Layouts (1377.71140s) stopped
T01 >> 1462351041.47513509 Calculate projections (1261.41735s) started
T01 << 1462351043.94114590 Calculate projections (1263.88336s) stopped
T01 << 1462351043.94121695 LCAO eigensolver (4016.52045s) stopped
T01 >> 1462351043.94194508 Density (980.22533s) started
T01 >> 1462351043.94195700 Pseudo density (810.28365s) started
T01 >> 1462351043.94242501 Calculate density matrix (728.14756s) started
T01 << 1462351045.58125710 Calculate density matrix (729.78640s) stopped
T01 >> 1462351045.58138800 Construct density (80.99225s) started
T01 << 1462351045.75911903 Construct density (81.16998s) stopped
T01 >> 1462351045.76054597 Symmetrize density (0.02054s) started
T01 << 1462351045.76057911 Symmetrize density (0.02057s) stopped
T01 << 1462351045.76105404 Pseudo density (812.10275s) stopped
T01 >> 1462351045.76107407 Atomic density matrices (112.63706s) started
T01 << 1462351046.00921392 Atomic density matrices (112.88520s) stopped
T01 >> 1462351046.00925398 Multipole moments (1.82481s) started
T01 << 1462351046.01324391 Multipole moments (1.82880s) stopped
T01 >> 1462351046.01326609 Normalize (0.50399s) started
T01 << 1462351046.01438093 Normalize (0.50510s) stopped
T01 >> 1462351046.01441693 Mix (54.94468s) started
T01 << 1462351046.13516092 Mix (55.06543s) stopped
T01 << 1462351046.13524389 Density (982.41863s) stopped
T01 >> 1462351046.13533401 Hamiltonian (11134.86841s) started
T01 >> 1462351046.13535404 vbar (6.60729s) started
T01 << 1462351046.15053201 vbar (6.62247s) stopped
T01 >> 1462351046.15063810 XC 3D grid (4830.73362s) started
T01 >> 1462351046.32718492 van der Waals (4662.46859s) started
T01 >> 1462351046.37227988 semilocal (1051.14579s) started
T01 << 1462351048.60272789 semilocal (1053.37624s) stopped
T01 >> 1462351048.63506794 redistribute (511.55318s) started
T01 << 1462351049.01538801 redistribute (511.93350s) stopped
T01 >> 1462351049.01545501 libvdwxc nonlocal (3064.06846s) started
T01 << 1462351055.58558393 libvdwxc nonlocal (3070.63859s) stopped
T01 >> 1462351055.58565497 redistribute (511.93354s) started
T01 << 1462351056.25662708 redistribute (512.60451s) stopped
T01 << 1462351056.25786090 van der Waals (4672.39926s) stopped
T01 << 1462351056.43289709 XC 3D grid (4841.01587s) stopped
T01 >> 1462351056.43294501 Poisson (995.73834s) started
T01 << 1462351058.80272293 Poisson (998.10812s) stopped
T01 >> 1462351058.80279803 Hartree integrate/restrict (38.25893s) started
T01 << 1462351058.81987190 Hartree integrate/restrict (38.27600s) stopped
T01 >> 1462351058.81998992 Hartree integrate/restrict (38.27609s) started
T01 << 1462351058.88431311 Hartree integrate/restrict (38.34041s) stopped
T01 >> 1462351058.90306306 Atomic (2987.08032s) started
T01 >> 1462351058.91318107 XC Correction (2980.95223s) started
T01 << 1462351065.24720597 XC Correction (2987.28626s) stopped
T01 << 1462351065.25023890 Atomic (2993.42750s) stopped
T01 >> 1462351065.25034094 Communicate (2266.41175s) started
T01 << 1462351070.05502796 Communicate (2271.21644s) stopped
T01 << 1462351070.05506206 Hamiltonian (11158.78814s) stopped
T01 >> 1462351070.05514002 LCAO eigensolver (4016.52046s) started
T01 >> 1462351070.05515409 Potential matrix (128.83269s) started
T01 << 1462351070.31820607 Potential matrix (129.09574s) stopped
T01 >> 1462351070.31828499 DistributedAtomicCorrection (667.26432s) started
T01 << 1462351071.65593505 DistributedAtomicCorrection (668.60197s) stopped
T01 >> 1462351071.65599298 Distribute overlap matrix (578.40424s) started
T01 >> 1462351071.65601492 blocked summation (548.31917s) started
T01 << 1462351072.77924109 blocked summation (549.44240s) stopped
T01 >> 1462351072.78097391 Scalapack redistribute (29.30344s) started
T01 << 1462351072.83780098 Scalapack redistribute (29.36027s) stopped
T01 << 1462351072.83788610 Distribute overlap matrix (579.58613s) stopped
T01 >> 1462351072.83849096 Blacs Orbital Layouts (1377.71142s) started
T01 >> 1462351072.83966804 General diagonalize (1350.15471s) started
T01 << 1462351075.52781296 General diagonalize (1352.84286s) stopped
T01 >> 1462351075.52787900 Redistribute coefs (1.48585s) started
T01 << 1462351075.53159809 Redistribute coefs (1.48957s) stopped
T01 >> 1462351075.53164792 Send coefs to domains (25.31157s) started
T01 << 1462351075.58401608 Send coefs to domains (25.36393s) stopped
T01 << 1462351075.58428407 Blacs Orbital Layouts (1380.45721s) stopped
T01 >> 1462351075.58434010 Calculate projections (1263.88340s) started
T01 << 1462351078.05034304 Calculate projections (1266.34941s) stopped
T01 << 1462351078.05060101 LCAO eigensolver (4024.51592s) stopped
T01 >> 1462351078.05132699 Density (982.41865s) started
T01 >> 1462351078.05133891 Pseudo density (812.10277s) started
T01 >> 1462351078.05181003 Calculate density matrix (729.78647s) started
T01 << 1462351079.68648696 Calculate density matrix (731.42115s) stopped
T01 >> 1462351079.68658090 Construct density (81.17002s) started
T01 << 1462351079.86417890 Construct density (81.34761s) stopped
T01 >> 1462351079.86651611 Symmetrize density (0.02058s) started
T01 << 1462351079.86654902 Symmetrize density (0.02061s) stopped
T01 << 1462351079.86702704 Pseudo density (813.91845s) stopped
T01 >> 1462351079.86704612 Atomic density matrices (112.88523s) started
T01 << 1462351080.11264396 Atomic density matrices (113.13082s) stopped
T01 >> 1462351080.11268902 Multipole moments (1.82881s) started
T01 << 1462351080.11664605 Multipole moments (1.83277s) stopped
T01 >> 1462351080.11667109 Normalize (0.50513s) started
T01 << 1462351080.11779594 Normalize (0.50626s) stopped
T01 >> 1462351080.11783290 Mix (55.06551s) started
T01 << 1462351080.23862004 Mix (55.18630s) stopped
T01 << 1462351080.23878407 Density (984.60610s) stopped
T01 >> 1462351080.23887300 Hamiltonian (11158.78815s) started
T01 >> 1462351080.23889303 vbar (6.62253s) started
T01 << 1462351080.25440907 vbar (6.63805s) stopped
T01 >> 1462351080.25450897 XC 3D grid (4841.01591s) started
T01 >> 1462351080.43424606 van der Waals (4672.39929s) started
T01 >> 1462351080.47881389 semilocal (1053.37632s) started
T01 << 1462351082.70636892 semilocal (1055.60387s) stopped
T01 >> 1462351082.73729110 redistribute (512.60463s) started
T01 << 1462351083.10955811 redistribute (512.97690s) stopped
T01 >> 1462351083.10962510 libvdwxc nonlocal (3070.63864s) started
T01 << 1462351089.68113089 libvdwxc nonlocal (3077.21014s) stopped
T01 >> 1462351089.68119001 redistribute (512.97693s) started
T01 << 1462351090.34305191 redistribute (513.63879s) stopped
T01 << 1462351090.34433198 van der Waals (4682.30938s) stopped
T01 << 1462351090.52379608 XC 3D grid (4851.28520s) stopped
T01 >> 1462351090.52384305 Poisson (998.10818s) started
T01 << 1462351092.90582991 Poisson (1000.49016s) stopped
T01 >> 1462351092.90594292 Hartree integrate/restrict (38.34044s) started
T01 << 1462351092.92302990 Hartree integrate/restrict (38.35753s) stopped
T01 >> 1462351092.92312288 Hartree integrate/restrict (38.35759s) started
T01 << 1462351092.99265599 Hartree integrate/restrict (38.42712s) stopped
T01 >> 1462351093.01083302 Atomic (2993.42751s) started
T01 >> 1462351093.02106595 XC Correction (2987.28629s) started
T01 << 1462351099.32114410 XC Correction (2993.58636s) stopped
T01 << 1462351099.32418704 Atomic (2999.74087s) stopped
T01 >> 1462351099.32428503 Communicate (2271.21646s) started
T01 << 1462351104.24445605 Communicate (2276.13664s) stopped
T01 << 1462351104.24449205 Hamiltonian (11182.79377s) stopped
T01 >> 1462351104.24457312 LCAO eigensolver (4024.51594s) started
T01 >> 1462351104.24458790 Potential matrix (129.09578s) started
T01 << 1462351104.50972891 Potential matrix (129.36092s) stopped
T01 >> 1462351104.50980592 DistributedAtomicCorrection (668.60201s) started
T01 << 1462351105.85148096 DistributedAtomicCorrection (669.94368s) stopped
T01 >> 1462351105.85153794 Distribute overlap matrix (579.58615s) started
T01 >> 1462351105.85155892 blocked summation (549.44244s) started
T01 << 1462351106.96852589 blocked summation (550.55941s) stopped
T01 >> 1462351106.97031593 Scalapack redistribute (29.36031s) started
T01 << 1462351107.02850008 Scalapack redistribute (29.41849s) stopped
T01 << 1462351107.02858210 Distribute overlap matrix (580.76319s) stopped
T01 >> 1462351107.02917099 Blacs Orbital Layouts (1380.45723s) started
T01 >> 1462351107.03032589 General diagonalize (1352.84290s) started
T01 << 1462351109.72910690 General diagonalize (1355.54168s) stopped
T01 >> 1462351109.72917199 Redistribute coefs (1.48961s) started
T01 << 1462351109.73276210 Redistribute coefs (1.49320s) stopped
T01 >> 1462351109.73280907 Send coefs to domains (25.36398s) started
T01 << 1462351109.78566289 Send coefs to domains (25.41683s) stopped
T01 << 1462351109.78594494 Blacs Orbital Layouts (1383.21400s) stopped
T01 >> 1462351109.78600407 Calculate projections (1266.34945s) started
T01 << 1462351112.25222611 Calculate projections (1268.81567s) stopped
T01 << 1462351112.25248289 LCAO eigensolver (4032.52385s) stopped
T01 >> 1462351112.25318789 Density (984.60612s) started
T01 >> 1462351112.25320101 Pseudo density (813.91847s) started
T01 >> 1462351112.25367999 Calculate density matrix (731.42119s) started
T01 << 1462351113.89180398 Calculate density matrix (733.05932s) stopped
T01 >> 1462351113.89189196 Construct density (81.34765s) started
T01 << 1462351114.06961393 Construct density (81.52537s) stopped
T01 >> 1462351114.07102704 Symmetrize density (0.02062s) started
T01 << 1462351114.07105994 Symmetrize density (0.02066s) stopped
T01 << 1462351114.07152891 Pseudo density (815.73679s) stopped
T01 >> 1462351114.07154799 Atomic density matrices (113.13086s) started
T01 << 1462351114.31799698 Atomic density matrices (113.37731s) stopped
T01 >> 1462351114.31803989 Multipole moments (1.83279s) started
T01 << 1462351114.32199502 Multipole moments (1.83674s) stopped
T01 >> 1462351114.32201695 Normalize (0.50628s) started
T01 << 1462351114.32312298 Normalize (0.50739s) stopped
T01 >> 1462351114.32315707 Mix (55.18646s) started
T01 << 1462351114.44348001 Mix (55.30678s) stopped
T01 << 1462351114.44357896 Density (986.79651s) stopped
T01 >> 1462351114.44367003 Hamiltonian (11182.79378s) started
T01 >> 1462351114.44368911 vbar (6.63811s) started
T01 << 1462351114.45945191 vbar (6.65387s) stopped
T01 >> 1462351114.45956993 XC 3D grid (4851.28523s) started
T01 >> 1462351114.63212991 van der Waals (4682.30948s) started
T01 >> 1462351114.67747498 semilocal (1055.60394s) started
T01 << 1462351116.89554000 semilocal (1057.82201s) stopped
T01 >> 1462351116.92917395 redistribute (513.63889s) started
T01 << 1462351117.32407808 redistribute (514.03379s) stopped
T01 >> 1462351117.32414508 libvdwxc nonlocal (3077.21018s) started
T01 << 1462351123.88898492 libvdwxc nonlocal (3083.77502s) stopped
T01 >> 1462351123.88904595 redistribute (514.03383s) started
T01 << 1462351124.54913497 redistribute (514.69392s) stopped
T01 << 1462351124.55025291 van der Waals (4692.22760s) stopped
T01 << 1462351124.73453498 XC 3D grid (4861.56020s) stopped
T01 >> 1462351124.73458099 Poisson (1000.49025s) started
T01 << 1462351127.10220909 Poisson (1002.85788s) stopped
T01 >> 1462351127.10230303 Hartree integrate/restrict (38.42716s) started
T01 << 1462351127.11945105 Hartree integrate/restrict (38.44431s) stopped
T01 >> 1462351127.11952209 Hartree integrate/restrict (38.44436s) started
T01 << 1462351127.18365693 Hartree integrate/restrict (38.50850s) stopped
T01 >> 1462351127.20809102 Atomic (2999.74089s) started
T01 >> 1462351127.21829391 XC Correction (2993.58639s) started
T01 << 1462351133.54231501 XC Correction (2999.91041s) stopped
T01 << 1462351133.54536295 Atomic (3006.07816s) stopped
T01 >> 1462351133.54546309 Communicate (2276.13666s) started
T01 << 1462351138.39876390 Communicate (2280.98996s) stopped
T01 << 1462351138.39879894 Hamiltonian (11206.74891s) stopped
T01 >> 1462351138.39888191 LCAO eigensolver (4032.52387s) started
T01 >> 1462351138.39889598 Potential matrix (129.36096s) started
T01 << 1462351138.66107512 Potential matrix (129.62314s) stopped
T01 >> 1462351138.66115308 DistributedAtomicCorrection (669.94372s) started
T01 << 1462351140.00100994 DistributedAtomicCorrection (671.28358s) stopped
T01 >> 1462351140.00106692 Distribute overlap matrix (580.76320s) started
T01 >> 1462351140.00109005 blocked summation (550.55944s) started
T01 << 1462351141.12581396 blocked summation (551.68417s) stopped
T01 >> 1462351141.12750411 Scalapack redistribute (29.41853s) started
T01 << 1462351141.18633509 Scalapack redistribute (29.47736s) stopped
T01 << 1462351141.18641806 Distribute overlap matrix (581.94855s) stopped
T01 >> 1462351141.18703794 Blacs Orbital Layouts (1383.21402s) started
T01 >> 1462351141.18818498 General diagonalize (1355.54172s) started
T01 << 1462351143.89283609 General diagonalize (1358.24637s) stopped
T01 >> 1462351143.89290094 Redistribute coefs (1.49323s) started
T01 << 1462351143.89672589 Redistribute coefs (1.49706s) stopped
T01 >> 1462351143.89677310 Send coefs to domains (25.41687s) started
T01 << 1462351143.95021296 Send coefs to domains (25.47031s) stopped
T01 << 1462351143.95049310 Blacs Orbital Layouts (1385.97748s) stopped
T01 >> 1462351143.95055199 Calculate projections (1268.81572s) started
T01 << 1462351146.41667795 Calculate projections (1271.28185s) stopped
T01 << 1462351146.41693306 LCAO eigensolver (4040.54192s) stopped
T01 >> 1462351146.41761303 Density (986.79653s) started
T01 >> 1462351146.41762590 Pseudo density (815.73681s) started
T01 >> 1462351146.41809702 Calculate density matrix (733.05936s) started
T01 << 1462351148.06198406 Calculate density matrix (734.70324s) stopped
T01 >> 1462351148.06207299 Construct density (81.52540s) started
T01 << 1462351148.23922992 Construct density (81.70256s) stopped
T01 >> 1462351148.24066401 Symmetrize density (0.02067s) started
T01 << 1462351148.24072790 Symmetrize density (0.02073s) stopped
T01 << 1462351148.24119997 Pseudo density (817.56038s) stopped
T01 >> 1462351148.24121904 Atomic density matrices (113.37734s) started
T01 << 1462351148.48826599 Atomic density matrices (113.62438s) stopped
T01 >> 1462351148.48830700 Multipole moments (1.83676s) started
T01 << 1462351148.49225903 Multipole moments (1.84071s) stopped
T01 >> 1462351148.49228191 Normalize (0.50741s) started
T01 << 1462351148.49339509 Normalize (0.50853s) stopped
T01 >> 1462351148.49343109 Mix (55.30687s) started
T01 << 1462351148.61457992 Mix (55.42802s) stopped
T01 << 1462351148.61468196 Density (988.99360s) stopped
T01 >> 1462351148.61477804 Hamiltonian (11206.74893s) started
T01 >> 1462351148.61479807 vbar (6.65394s) started
T01 << 1462351148.63001394 vbar (6.66915s) stopped
T01 >> 1462351148.63011193 XC 3D grid (4861.56023s) started
T01 >> 1462351148.80778003 van der Waals (4692.22763s) started
T01 >> 1462351148.85167789 semilocal (1057.82211s) started
T01 << 1462351151.07249403 semilocal (1060.04292s) stopped
T01 >> 1462351151.10399389 redistribute (514.69396s) started
T01 << 1462351151.48294902 redistribute (515.07292s) stopped
T01 >> 1462351151.48301792 libvdwxc nonlocal (3083.77506s) started
T01 << 1462351158.08970404 libvdwxc nonlocal (3090.38174s) stopped
T01 >> 1462351158.08978510 redistribute (515.07296s) started
T01 << 1462351158.74663091 redistribute (515.72980s) stopped
T01 << 1462351158.74784398 van der Waals (4702.16769s) stopped
T01 << 1462351158.93570399 XC 3D grid (4871.86583s) stopped
T01 >> 1462351158.93574905 Poisson (1002.85795s) started
T01 << 1462351160.72233295 Poisson (1004.64453s) stopped
T01 >> 1462351160.72247100 Hartree integrate/restrict (38.50855s) started
T01 << 1462351160.73959088 Hartree integrate/restrict (38.52567s) stopped
T01 >> 1462351160.73970199 Hartree integrate/restrict (38.52575s) started
T01 << 1462351160.80233908 Hartree integrate/restrict (38.58839s) stopped
T01 >> 1462351160.82686806 Atomic (3006.07817s) started
T01 >> 1462351160.83705807 XC Correction (2999.91044s) started
T01 << 1462351167.21089196 XC Correction (3006.28427s) stopped
T01 << 1462351167.21393490 Atomic (3012.46524s) stopped
T01 >> 1462351167.21403408 Communicate (2280.98998s) started
T01 << 1462351171.96849298 Communicate (2285.74444s) stopped
T01 << 1462351171.96852803 Hamiltonian (11230.10268s) stopped
T01 >> 1462351171.96861291 LCAO eigensolver (4040.54194s) started
T01 >> 1462351171.96862698 Potential matrix (129.62318s) started
T01 << 1462351172.23343205 Potential matrix (129.88799s) stopped
T01 >> 1462351172.23350692 DistributedAtomicCorrection (671.28362s) started
T01 << 1462351173.58081293 DistributedAtomicCorrection (672.63092s) stopped
T01 >> 1462351173.58087111 Distribute overlap matrix (581.94857s) started
T01 >> 1462351173.58089399 blocked summation (551.68421s) started
T01 << 1462351174.71711397 blocked summation (552.82043s) stopped
T01 >> 1462351174.71879196 Scalapack redistribute (29.47740s) started
T01 << 1462351174.77687311 Scalapack redistribute (29.53548s) stopped
T01 << 1462351174.77695203 Distribute overlap matrix (583.14465s) stopped
T01 >> 1462351174.77757406 Blacs Orbital Layouts (1385.97749s) started
T01 >> 1462351174.77906108 General diagonalize (1358.24641s) started
T01 << 1462351177.46586394 General diagonalize (1360.93321s) stopped
T01 >> 1462351177.46593094 Redistribute coefs (1.49710s) started
T01 << 1462351177.46955800 Redistribute coefs (1.50072s) stopped
T01 >> 1462351177.46960592 Send coefs to domains (25.47035s) started
T01 << 1462351177.51979399 Send coefs to domains (25.52054s) stopped
T01 << 1462351177.52012706 Blacs Orbital Layouts (1388.72005s) stopped
T01 >> 1462351177.52017999 Calculate projections (1271.28189s) started
T01 << 1462351179.98685503 Calculate projections (1273.74857s) stopped
T01 << 1462351179.98711801 LCAO eigensolver (4048.56044s) stopped
T01 >> 1462351179.98797488 Density (988.99361s) started
T01 >> 1462351179.98798800 Pseudo density (817.56040s) started
T01 >> 1462351179.98841310 Calculate density matrix (734.70329s) started
T01 << 1462351181.63030195 Calculate density matrix (736.34518s) stopped
T01 >> 1462351181.63038898 Construct density (81.70260s) started
T01 << 1462351181.80824900 Construct density (81.88046s) stopped
T01 >> 1462351181.80982304 Symmetrize density (0.02075s) started
T01 << 1462351181.80985689 Symmetrize density (0.02078s) stopped
T01 << 1462351181.81032395 Pseudo density (819.38273s) stopped
T01 >> 1462351181.81034303 Atomic density matrices (113.62441s) started
T01 << 1462351182.05695510 Atomic density matrices (113.87102s) stopped
T01 >> 1462351182.05699611 Multipole moments (1.84072s) started
T01 << 1462351182.06098199 Multipole moments (1.84471s) stopped
T01 >> 1462351182.06100512 Normalize (0.50855s) started
T01 << 1462351182.06212592 Normalize (0.50967s) stopped
T01 >> 1462351182.06216097 Mix (55.42812s) started
T01 << 1462351182.18156505 Mix (55.54752s) stopped
T01 << 1462351182.18165493 Density (991.18729s) stopped
T01 >> 1462351182.18174505 Hamiltonian (11230.10269s) started
T01 >> 1462351182.18176389 vbar (6.66921s) started
T01 << 1462351182.19724393 vbar (6.68469s) stopped
T01 >> 1462351182.19736409 XC 3D grid (4871.86586s) started
T01 >> 1462351182.37939095 van der Waals (4702.16773s) started
T01 >> 1462351182.42420292 semilocal (1060.04300s) started
T01 << 1462351184.66219401 semilocal (1062.28099s) stopped
T01 >> 1462351184.69368505 redistribute (515.72985s) started
T01 << 1462351185.06878591 redistribute (516.10495s) stopped
T01 >> 1462351185.06885409 libvdwxc nonlocal (3090.38180s) started
T01 << 1462351191.66520905 libvdwxc nonlocal (3096.97815s) stopped
T01 >> 1462351191.66529107 redistribute (516.10499s) started
T01 << 1462351192.32186389 redistribute (516.76156s) stopped
T01 << 1462351192.32312202 van der Waals (4712.11146s) stopped
T01 << 1462351192.50609398 XC 3D grid (4882.17459s) stopped
T01 >> 1462351192.50613999 Poisson (1004.64464s) started
T01 << 1462351194.28594804 Poisson (1006.42445s) stopped
T01 >> 1462351194.28604794 Hartree integrate/restrict (38.58843s) started
T01 << 1462351194.30317593 Hartree integrate/restrict (38.60556s) stopped
T01 >> 1462351194.30325699 Hartree integrate/restrict (38.60562s) started
T01 << 1462351194.36528397 Hartree integrate/restrict (38.66764s) stopped
T01 >> 1462351194.39017105 Atomic (3012.46526s) started
T01 >> 1462351194.40042090 XC Correction (3006.28430s) started
T01 << 1462351200.69261408 XC Correction (3012.57649s) stopped
T01 << 1462351200.69567609 Atomic (3018.77076s) stopped
T01 >> 1462351200.69577408 Communicate (2285.74447s) started
T01 << 1462351205.62118196 Communicate (2290.66988s) stopped
T01 << 1462351205.62121797 Hamiltonian (11253.54216s) stopped
T01 >> 1462351205.62130594 LCAO eigensolver (4048.56046s) started
T01 >> 1462351205.62132096 Potential matrix (129.88803s) started
T01 << 1462351205.88384295 Potential matrix (130.15055s) stopped
T01 >> 1462351205.88391590 DistributedAtomicCorrection (672.63096s) started
T01 << 1462351207.22876692 DistributedAtomicCorrection (673.97581s) stopped
T01 >> 1462351207.22882509 Distribute overlap matrix (583.14466s) started
T01 >> 1462351207.22884703 blocked summation (552.82047s) started
T01 << 1462351208.36423302 blocked summation (553.95585s) stopped
T01 >> 1462351208.36597109 Scalapack redistribute (29.53552s) started
T01 << 1462351208.42509508 Scalapack redistribute (29.59464s) stopped
T01 << 1462351208.42517304 Distribute overlap matrix (584.34101s) stopped
T01 >> 1462351208.42578292 Blacs Orbital Layouts (1388.72006s) started
T01 >> 1462351208.42729592 General diagonalize (1360.93325s) started
T01 << 1462351211.11266804 General diagonalize (1363.61862s) stopped
T01 >> 1462351211.11273408 Redistribute coefs (1.50076s) started
T01 << 1462351211.11655688 Redistribute coefs (1.50458s) stopped
T01 >> 1462351211.11660290 Send coefs to domains (25.52058s) started
T01 << 1462351211.16570306 Send coefs to domains (25.56968s) stopped
T01 << 1462351211.16602612 Blacs Orbital Layouts (1391.46030s) stopped
T01 >> 1462351211.16608095 Calculate projections (1273.74861s) started
T01 << 1462351213.63291097 Calculate projections (1276.21544s) stopped
T01 << 1462351213.63316798 LCAO eigensolver (4056.57233s) stopped
T01 >> 1462351213.63385010 Density (991.18731s) started
T01 >> 1462351213.63386393 Pseudo density (819.38275s) started
T01 >> 1462351213.63430810 Calculate density matrix (736.34522s) started
T01 << 1462351215.26483989 Calculate density matrix (737.97575s) stopped
T01 >> 1462351215.26493096 Construct density (81.88049s) started
T01 << 1462351215.44274592 Construct density (82.05830s) stopped
T01 >> 1462351215.44416595 Symmetrize density (0.02079s) started
T01 << 1462351215.44419909 Symmetrize density (0.02083s) stopped
T01 << 1462351215.44466996 Pseudo density (821.19355s) stopped
T01 >> 1462351215.44468999 Atomic density matrices (113.87105s) started
T01 << 1462351215.69127607 Atomic density matrices (114.11764s) stopped
T01 >> 1462351215.69131708 Multipole moments (1.84472s) started
T01 << 1462351215.69529104 Multipole moments (1.84870s) stopped
T01 >> 1462351215.69531488 Normalize (0.50970s) started
T01 << 1462351215.69640493 Normalize (0.51079s) stopped
T01 >> 1462351215.69644189 Mix (55.54761s) started
T01 << 1462351215.81544900 Mix (55.66662s) stopped
T01 << 1462351215.81552100 Density (993.36899s) stopped
T01 >> 1462351215.81560493 Hamiltonian (11253.54218s) started
T01 >> 1462351215.81562495 vbar (6.68477s) started
T01 << 1462351215.83098602 vbar (6.70013s) stopped
T01 >> 1462351215.83110499 XC 3D grid (4882.17463s) started
T01 >> 1462351216.01586604 van der Waals (4712.11150s) started
T01 >> 1462351216.05984092 semilocal (1062.28106s) started
T01 << 1462351218.30665588 semilocal (1064.52788s) stopped
T01 >> 1462351218.33738494 redistribute (516.76161s) started
T01 << 1462351218.69999194 redistribute (517.12421s) stopped
T01 >> 1462351218.70005894 libvdwxc nonlocal (3096.97821s) started
T01 << 1462351225.27784491 libvdwxc nonlocal (3103.55599s) stopped
T01 >> 1462351225.27791309 redistribute (517.12425s) started
T01 << 1462351225.92437792 redistribute (517.77071s) stopped
T01 << 1462351225.92543101 van der Waals (4722.02107s) stopped
T01 << 1462351226.10851407 XC 3D grid (4892.45204s) stopped
T01 >> 1462351226.10857511 Poisson (1006.42453s) started
T01 << 1462351227.88894200 Poisson (1008.20489s) stopped
T01 >> 1462351227.88903499 Hartree integrate/restrict (38.66768s) started
T01 << 1462351227.90604591 Hartree integrate/restrict (38.68469s) stopped
T01 >> 1462351227.90618110 Hartree integrate/restrict (38.68478s) started
T01 << 1462351227.96890593 Hartree integrate/restrict (38.74751s) stopped
T01 >> 1462351227.99381804 Atomic (3018.77078s) started
T01 >> 1462351228.00412798 XC Correction (3012.57652s) started
T01 << 1462351234.32471395 XC Correction (3018.89710s) stopped
T01 << 1462351234.32775307 Atomic (3025.10472s) stopped
T01 >> 1462351234.32785392 Communicate (2290.66990s) started
T01 << 1462351239.16691589 Communicate (2295.50896s) stopped
T01 << 1462351239.16695094 Hamiltonian (11276.89352s) stopped
T01 >> 1462351239.16703391 LCAO eigensolver (4056.57234s) started
T01 >> 1462351239.16704798 Potential matrix (130.15059s) started
T01 << 1462351239.43076897 Potential matrix (130.41431s) stopped
T01 >> 1462351239.43084311 DistributedAtomicCorrection (673.97585s) started
T01 << 1462351240.77261591 DistributedAtomicCorrection (675.31762s) stopped
T01 >> 1462351240.77267599 Distribute overlap matrix (584.34102s) started
T01 >> 1462351240.77269912 blocked summation (553.95589s) started
T01 << 1462351241.92203403 blocked summation (555.10523s) stopped
T01 >> 1462351241.92354202 Scalapack redistribute (29.59467s) started
T01 << 1462351241.98291397 Scalapack redistribute (29.65405s) stopped
T01 << 1462351241.98299408 Distribute overlap matrix (585.55134s) stopped
T01 >> 1462351241.98357105 Blacs Orbital Layouts (1391.46032s) started
T01 >> 1462351241.98472309 General diagonalize (1363.61866s) started
T01 << 1462351244.66958904 General diagonalize (1366.30353s) stopped
T01 >> 1462351244.66965508 Redistribute coefs (1.50462s) started
T01 << 1462351244.67218089 Redistribute coefs (1.50714s) stopped
T01 >> 1462351244.67226791 Send coefs to domains (25.56973s) started
T01 << 1462351244.72172594 Send coefs to domains (25.61918s) stopped
T01 << 1462351244.72203112 Blacs Orbital Layouts (1394.19878s) stopped
T01 >> 1462351244.72209001 Calculate projections (1276.21549s) started
T01 << 1462351247.18879008 Calculate projections (1278.68219s) stopped
T01 << 1462351247.18886209 LCAO eigensolver (4064.59417s) stopped
T01 >> 1462351247.18953204 Density (993.36900s) started
T01 >> 1462351247.18954492 Pseudo density (821.19357s) started
T01 >> 1462351247.18998909 Calculate density matrix (737.97580s) started
T01 << 1462351248.81996202 Calculate density matrix (739.60577s) stopped
T01 >> 1462351248.82005692 Construct density (82.05834s) started
T01 << 1462351248.99724507 Construct density (82.23553s) stopped
T01 >> 1462351248.99868298 Symmetrize density (0.02084s) started
T01 << 1462351248.99871612 Symmetrize density (0.02087s) stopped
T01 << 1462351248.99918199 Pseudo density (823.00320s) stopped
T01 >> 1462351248.99920201 Atomic density matrices (114.11766s) started
T01 << 1462351249.24755001 Atomic density matrices (114.36601s) stopped
T01 >> 1462351249.24759197 Multipole moments (1.84871s) started
T01 << 1462351249.25157499 Multipole moments (1.85269s) stopped
T01 >> 1462351249.25159693 Normalize (0.51081s) started
T01 << 1462351249.25272894 Normalize (0.51195s) stopped
T01 >> 1462351249.25276494 Mix (55.66669s) started
T01 << 1462351249.37246895 Mix (55.78639s) stopped
T01 << 1462351249.37254691 Density (995.55201s) stopped
T01 >> 1462351249.37262988 Hamiltonian (11276.89353s) started
T01 >> 1462351249.37264705 vbar (6.70020s) started
T01 << 1462351249.38761997 vbar (6.71518s) stopped
T01 >> 1462351249.38775706 XC 3D grid (4892.45208s) started
T01 >> 1462351249.56673193 van der Waals (4722.02109s) started
T01 >> 1462351249.61116600 semilocal (1064.52796s) started
T01 << 1462351251.84944391 semilocal (1066.76624s) stopped
T01 >> 1462351251.87977791 redistribute (517.77076s) started
T01 << 1462351252.24851799 redistribute (518.13950s) stopped
T01 >> 1462351252.24858499 libvdwxc nonlocal (3103.55604s) started
T01 << 1462351258.79309893 libvdwxc nonlocal (3110.10055s) stopped
T01 >> 1462351258.79317307 redistribute (518.13954s) started
T01 << 1462351259.45784402 redistribute (518.80421s) stopped
T01 << 1462351259.45925808 van der Waals (4731.91362s) stopped
T01 << 1462351259.63609910 XC 3D grid (4902.70043s) stopped
T01 >> 1462351259.63614988 Poisson (1008.20496s) started
T01 << 1462351261.41576695 Poisson (1009.98458s) stopped
T01 >> 1462351261.41587090 Hartree integrate/restrict (38.74754s) started
T01 << 1462351261.43311000 Hartree integrate/restrict (38.76478s) stopped
T01 >> 1462351261.43318892 Hartree integrate/restrict (38.76484s) started
T01 << 1462351261.49691796 Hartree integrate/restrict (38.82857s) stopped
T01 >> 1462351261.51996303 Atomic (3025.10473s) started
T01 >> 1462351261.53019094 XC Correction (3018.89713s) started
T01 << 1462351267.83715105 XC Correction (3025.20409s) stopped
T01 << 1462351267.84022593 Atomic (3031.42500s) stopped
T01 >> 1462351267.84032607 Communicate (2295.50899s) started
T01 << 1462351272.77138090 Communicate (2300.44004s) stopped
T01 << 1462351272.77141595 Hamiltonian (11300.29232s) stopped
T01 >> 1462351272.77149796 LCAO eigensolver (4064.59418s) started
T01 >> 1462351272.77151299 Potential matrix (130.41435s) started
T01 << 1462351273.03548193 Potential matrix (130.67832s) stopped
T01 >> 1462351273.03555489 DistributedAtomicCorrection (675.31766s) started
T01 << 1462351274.37073994 DistributedAtomicCorrection (676.65285s) stopped
T01 >> 1462351274.37079811 Distribute overlap matrix (585.55135s) started
T01 >> 1462351274.37081909 blocked summation (555.10526s) started
T01 << 1462351275.55780292 blocked summation (556.29225s) stopped
T01 >> 1462351275.55951309 Scalapack redistribute (29.65408s) started
T01 << 1462351275.62052202 Scalapack redistribute (29.71509s) stopped
T01 << 1462351275.62060189 Distribute overlap matrix (586.80115s) stopped
T01 >> 1462351275.62120295 Blacs Orbital Layouts (1394.19880s) started
T01 >> 1462351275.62279296 General diagonalize (1366.30356s) started
T01 << 1462351278.32839394 General diagonalize (1369.00917s) stopped
T01 >> 1462351278.32845902 Redistribute coefs (1.50718s) started
T01 << 1462351278.33169603 Redistribute coefs (1.51042s) stopped
T01 >> 1462351278.33174610 Send coefs to domains (25.61923s) started
T01 << 1462351278.38190508 Send coefs to domains (25.66938s) stopped
T01 << 1462351278.38235998 Blacs Orbital Layouts (1396.95996s) stopped
T01 >> 1462351278.38241696 Calculate projections (1278.68223s) started
T01 << 1462351280.84918499 Calculate projections (1281.14900s) stopped
T01 << 1462351280.84943390 LCAO eigensolver (4072.67212s) stopped
T01 >> 1462351280.85012603 Density (995.55203s) started
T01 >> 1462351280.85013890 Pseudo density (823.00322s) started
T01 >> 1462351280.85057807 Calculate density matrix (739.60582s) started
T01 << 1462351282.48719597 Calculate density matrix (741.24243s) stopped
T01 >> 1462351282.48728299 Construct density (82.23556s) started
T01 << 1462351282.66495490 Construct density (82.41323s) stopped
T01 >> 1462351282.66727304 Symmetrize density (0.02088s) started
T01 << 1462351282.66730690 Symmetrize density (0.02092s) stopped
T01 << 1462351282.66778207 Pseudo density (824.82086s) stopped
T01 >> 1462351282.66780210 Atomic density matrices (114.36604s) started
T01 << 1462351282.91407108 Atomic density matrices (114.61231s) stopped
T01 >> 1462351282.91411304 Multipole moments (1.85271s) started
T01 << 1462351282.91812491 Multipole moments (1.85672s) stopped
T01 >> 1462351282.91814804 Normalize (0.51197s) started
T01 << 1462351282.91927695 Normalize (0.51310s) stopped
T01 >> 1462351282.91931200 Mix (55.78647s) started
T01 << 1462351283.03824496 Mix (55.90540s) stopped
T01 << 1462351283.03833890 Density (997.74024s) stopped
T01 >> 1462351283.03842902 Hamiltonian (11300.29233s) started
T01 >> 1462351283.03844690 vbar (6.71526s) started
T01 << 1462351283.05352807 vbar (6.73034s) stopped
T01 >> 1462351283.05364990 XC 3D grid (4902.70046s) started
T01 >> 1462351283.23274803 van der Waals (4731.91368s) started
T01 >> 1462351283.27682710 semilocal (1066.76630s) started
T01 << 1462351285.52132297 semilocal (1069.01080s) stopped
T01 >> 1462351285.55257607 redistribute (518.80431s) started
T01 << 1462351285.92385101 redistribute (519.17559s) stopped
T01 >> 1462351285.92391801 libvdwxc nonlocal (3110.10060s) started
T01 << 1462351292.49120212 libvdwxc nonlocal (3116.66788s) stopped
T01 >> 1462351292.49126291 redistribute (519.17562s) started
T01 << 1462351293.16125989 redistribute (519.84562s) stopped
T01 << 1462351293.16269493 van der Waals (4741.84363s) stopped
T01 << 1462351293.33887291 XC 3D grid (4912.98569s) stopped
T01 >> 1462351293.33892703 Poisson (1009.98466s) started
T01 << 1462351294.53907204 Poisson (1011.18480s) stopped
T01 >> 1462351294.53914404 Hartree integrate/restrict (38.82860s) started
T01 << 1462351294.55635190 Hartree integrate/restrict (38.84581s) stopped
T01 >> 1462351294.55644202 Hartree integrate/restrict (38.84588s) started
T01 << 1462351294.61962008 Hartree integrate/restrict (38.90906s) stopped
T01 >> 1462351294.64321804 Atomic (3031.42501s) started
T01 >> 1462351294.65351105 XC Correction (3025.20412s) started
T01 << 1462351300.96082306 XC Correction (3031.51143s) stopped
T01 << 1462351300.96388197 Atomic (3037.74568s) stopped
T01 >> 1462351300.96398306 Communicate (2300.44006s) started
T01 << 1462351305.87405300 Communicate (2305.35013s) stopped
T01 << 1462351305.87408710 Hamiltonian (11323.12799s) stopped
T01 >> 1462351305.87416697 LCAO eigensolver (4072.67214s) started
T01 >> 1462351305.87418103 Potential matrix (130.67835s) started
T01 << 1462351306.13771796 Potential matrix (130.94189s) stopped
T01 >> 1462351306.13778901 DistributedAtomicCorrection (676.65289s) started
T01 << 1462351307.47889209 DistributedAtomicCorrection (677.99399s) stopped
T01 >> 1462351307.47894812 Distribute overlap matrix (586.80117s) started
T01 >> 1462351307.47897005 blocked summation (556.29228s) started
T01 << 1462351308.63613200 blocked summation (557.44945s) stopped
T01 >> 1462351308.63788891 Scalapack redistribute (29.71513s) started
T01 << 1462351308.69592190 Scalapack redistribute (29.77316s) stopped
T01 << 1462351308.69600391 Distribute overlap matrix (588.01822s) stopped
T01 >> 1462351308.69660306 Blacs Orbital Layouts (1396.95997s) started
T01 >> 1462351308.69856501 General diagonalize (1369.00921s) started
T01 << 1462351311.39261889 General diagonalize (1371.70326s) stopped
T01 >> 1462351311.39268589 Redistribute coefs (1.51046s) started
T01 << 1462351311.39580202 Redistribute coefs (1.51357s) stopped
T01 >> 1462351311.39584994 Send coefs to domains (25.66943s) started
T01 << 1462351311.44577289 Send coefs to domains (25.71935s) stopped
T01 << 1462351311.44625092 Blacs Orbital Layouts (1399.70962s) stopped
T01 >> 1462351311.44630504 Calculate projections (1281.14905s) started
T01 << 1462351313.91303897 Calculate projections (1283.61578s) stopped
T01 << 1462351313.91329908 LCAO eigensolver (4080.71127s) stopped
T01 << 1462351313.91398001 SCF-cycle (16402.00165s) stopped
T01 >> 1462351314.85380411 Force calculation (852.89304s) started
T01 >> 1462351314.85386491 LCAO forces (533.89563s) started
T01 >> 1462351314.85421896 Initial (0.00064s) started
T01 << 1462351314.85422993 Initial (0.00065s) stopped
T01 >> 1462351314.85843897 Get density matrix (103.88948s) started
T01 << 1462351315.46428108 Get density matrix (104.49532s) stopped
T01 >> 1462351315.46435690 Potential (38.24967s) started
T01 << 1462351316.86873007 Potential (39.65404s) stopped
T01 >> 1462351316.86879611 Get density matrix (104.49536s) started
T01 << 1462351320.10989594 Get density matrix (107.73645s) stopped
T01 >> 1462351320.11003208 Prepare TCI loop (53.18457s) started
T01 >> 1462351320.11051202 Get neighbors (48.38608s) started
T01 << 1462351321.98814702 Get neighbors (50.26371s) stopped
T01 >> 1462351321.98836803 broadcast dH (4.77953s) started
T01 << 1462351321.99845099 broadcast dH (4.78961s) stopped
T01 << 1462351321.99849701 Prepare TCI loop (55.07303s) stopped
T01 >> 1462351321.99851608 Not so complicated loop (75.01033s) started
T01 << 1462351324.70905209 Not so complicated loop (77.72087s) stopped
T01 >> 1462351324.83436799 Complicated loop (259.80763s) started
T01 << 1462351334.31695509 Complicated loop (269.29021s) stopped
T01 >> 1462351334.32870603 Wait for sum (0.00154s) started
T01 << 1462351334.32874608 Wait for sum (0.00158s) stopped
T01 << 1462351334.32875800 LCAO forces (553.37053s) stopped
T01 << 1462351347.42474508 Force calculation (885.46398s) stopped
T01 >> 1462351347.44242001 Initialization (1446.65055s) started
T01 << 1462351347.44260001 Initialization (1446.65073s) stopped
T01 >> 1462351347.44284201 Initialization (1446.65074s) started
T01 << 1462351347.44297099 Initialization (1446.65087s) stopped
T01 >> 1462351347.44310308 Initialization (1446.65089s) started
T01 << 1462351347.44322896 Initialization (1446.65101s) stopped
T01 >> 1462351367.77913094 Initialization (1446.65103s) started
T01 >> 1462351367.87205696 Basic WFS set positions (2.78825s) started
T01 >> 1462351367.87208200 Redistribute (0.04712s) started
T01 << 1462351367.87222099 Redistribute (0.04726s) stopped
T01 << 1462351367.96778893 Basic WFS set positions (2.88398s) stopped
T01 >> 1462351367.96781611 Basis functions set positions (12.01593s) started
T01 << 1462351368.38145304 Basis functions set positions (12.42957s) stopped
T01 >> 1462351368.38274789 TCI: Calculate S, T, P (433.90190s) started
T01 << 1462351383.59865689 TCI: Calculate S, T, P (449.11780s) stopped
T01 >> 1462351383.59874892 blocked summation (113.94522s) started
T01 << 1462351387.35166788 blocked summation (117.69814s) stopped
T01 >> 1462351387.35328507 Scalapack redistribute (6.72691s) started
T01 << 1462351387.41123199 Scalapack redistribute (6.78486s) stopped
T01 >> 1462351387.41170001 blocked summation (117.69818s) started
T01 << 1462351387.57571292 blocked summation (117.86220s) stopped
T01 >> 1462351387.57734704 Scalapack redistribute (6.78492s) started
T01 << 1462351387.77541399 Scalapack redistribute (6.98299s) stopped
T01 >> 1462351387.77697110 Redistribute (0.05730s) started
T01 << 1462351387.77790189 Redistribute (0.05823s) stopped
T01 >> 1462351388.68347812 Redistribute (0.05825s) started
T01 << 1462351388.68443298 Redistribute (0.05920s) stopped
T01 >> 1462351388.69384289 LCAO WFS Initialize (846.55589s) started
T01 >> 1462351388.69387293 Density initialize from wavefunctions (33.98048s) started
T01 >> 1462351388.69428611 Calculate density matrix (19.73825s) started
T01 << 1462351389.39774990 Calculate density matrix (20.44172s) stopped
T01 >> 1462351389.39781690 Construct density (4.83301s) started
T01 << 1462351389.57662797 Construct density (5.01182s) stopped
T01 >> 1462351389.57821989 Symmetrize density (0.00120s) started
T01 << 1462351389.57825208 Symmetrize density (0.00123s) stopped
T01 << 1462351389.91684890 Density initialize from wavefunctions (35.20346s) stopped
T01 >> 1462351389.91740108 Hamiltonian (812.36379s) started
T01 >> 1462351389.91743803 vbar (0.41780s) started
T01 << 1462351389.93239689 vbar (0.43276s) stopped
T01 >> 1462351389.93251801 XC 3D grid (297.24792s) started
T01 >> 1462351390.10337901 van der Waals (286.90372s) started
T01 >> 1462351390.14609003 semilocal (64.31776s) started
T01 << 1462351392.34696388 semilocal (66.51864s) stopped
T01 >> 1462351392.38070703 redistribute (31.13227s) started
T01 << 1462351392.78716803 redistribute (31.53874s) stopped
T01 >> 1462351392.78723788 libvdwxc nonlocal (189.25956s) started
T01 << 1462351399.38447905 libvdwxc nonlocal (195.85680s) stopped
T01 >> 1462351399.38454008 redistribute (31.53877s) started
T01 << 1462351400.02349401 redistribute (32.17773s) stopped
T01 << 1462351400.02455211 van der Waals (296.82489s) stopped
T01 << 1462351400.20632291 XC 3D grid (307.52173s) stopped
T01 >> 1462351400.20637012 Poisson (137.71508s) started
T01 << 1462351404.89273906 Poisson (142.40145s) stopped
T01 >> 1462351404.89283895 Hartree integrate/restrict (2.32665s) started
T01 << 1462351404.90992999 Hartree integrate/restrict (2.34374s) stopped
T01 >> 1462351404.91003704 Hartree integrate/restrict (2.34382s) started
T01 << 1462351404.97165799 Hartree integrate/restrict (2.40544s) stopped
T01 >> 1462351404.99411392 Atomic (193.97080s) started
T01 >> 1462351405.00470209 XC Correction (193.58520s) started
T01 << 1462351411.64224410 XC Correction (200.22274s) stopped
T01 << 1462351411.64535308 Atomic (200.62204s) stopped
T01 >> 1462351411.64556289 Communicate (180.05029s) started
T01 << 1462351418.20275807 Communicate (186.60748s) stopped
T01 << 1462351418.20279408 Hamiltonian (840.64918s) stopped
T01 << 1462351418.20284891 LCAO WFS Initialize (876.06490s) stopped
T01 << 1462351418.21530104 Initialization (1497.08720s) stopped
T01 >> 1462351418.24058795 SCF-cycle (16402.00166s) started
T01 >> 1462351418.24063206 LCAO eigensolver (4080.71129s) started
T01 >> 1462351418.24064493 Potential matrix (130.94193s) started
T01 << 1462351418.50460601 Potential matrix (131.20589s) stopped
T01 >> 1462351418.50468397 DistributedAtomicCorrection (677.99403s) started
T01 << 1462351419.83863091 DistributedAtomicCorrection (679.32797s) stopped
T01 >> 1462351419.83869290 Distribute overlap matrix (588.01823s) started
T01 >> 1462351419.83871603 blocked summation (557.44949s) started
T01 << 1462351420.97883296 blocked summation (558.58960s) stopped
T01 >> 1462351420.98028207 Scalapack redistribute (29.77320s) started
T01 << 1462351421.03852606 Scalapack redistribute (29.83144s) stopped
T01 << 1462351421.03860688 Distribute overlap matrix (589.21815s) stopped
T01 >> 1462351421.03918290 Blacs Orbital Layouts (1399.70964s) started
T01 >> 1462351421.04034710 General diagonalize (1371.70330s) started
T01 << 1462351423.74239802 General diagonalize (1374.40535s) stopped
T01 >> 1462351423.74244905 Redistribute coefs (1.51361s) started
T01 << 1462351423.74517703 Redistribute coefs (1.51634s) stopped
T01 >> 1462351423.74522090 Send coefs to domains (25.71939s) started
T01 << 1462351423.79505992 Send coefs to domains (25.76923s) stopped
T01 << 1462351423.79511094 Blacs Orbital Layouts (1402.46557s) stopped
T01 >> 1462351423.79514098 Calculate projections (1283.61583s) started
T01 << 1462351426.26245093 Calculate projections (1286.08314s) stopped
T01 << 1462351426.26252007 LCAO eigensolver (4088.73317s) stopped
T01 >> 1462351426.26313090 Density (997.74026s) started
T01 >> 1462351426.26314402 Pseudo density (824.82088s) started
T01 >> 1462351426.26355791 Calculate density matrix (741.24248s) started
T01 << 1462351427.88683295 Calculate density matrix (742.86575s) stopped
T01 >> 1462351427.88690305 Construct density (82.41327s) started
T01 << 1462351428.06543708 Construct density (82.59180s) stopped
T01 >> 1462351428.06683993 Symmetrize density (0.02093s) started
T01 << 1462351428.06687498 Symmetrize density (0.02096s) stopped
T01 << 1462351428.06732011 Pseudo density (826.62505s) stopped
T01 >> 1462351428.06733990 Atomic density matrices (114.61234s) started
T01 << 1462351428.31003904 Atomic density matrices (114.85504s) stopped
T01 >> 1462351428.31007910 Multipole moments (1.85674s) started
T01 << 1462351428.31420803 Multipole moments (1.86087s) stopped
T01 >> 1462351428.31422997 Normalize (0.51313s) started
T01 << 1462351428.31533504 Normalize (0.51423s) stopped
T01 >> 1462351428.31537104 Mix (55.90549s) started
T01 << 1462351428.42123294 Mix (56.01135s) stopped
T01 << 1462351428.42129803 Density (999.89843s) stopped
T01 >> 1462351428.42138290 Hamiltonian (11323.12800s) started
T01 >> 1462351428.42140198 vbar (6.73042s) started
T01 << 1462351428.43596005 vbar (6.74498s) stopped
T01 >> 1462351428.43602490 XC 3D grid (4912.98573s) started
T01 >> 1462351428.60861111 van der Waals (4741.84367s) started
T01 >> 1462351428.65214396 semilocal (1069.01086s) started
T01 << 1462351430.85761094 semilocal (1071.21633s) stopped
T01 >> 1462351430.89044094 redistribute (519.84575s) started
T01 << 1462351431.29456711 redistribute (520.24988s) stopped
T01 >> 1462351431.29463410 libvdwxc nonlocal (3116.66792s) started
T01 << 1462351437.84563899 libvdwxc nonlocal (3123.21893s) stopped
T01 >> 1462351437.84571910 redistribute (520.24992s) started
T01 << 1462351438.48825788 redistribute (520.89245s) stopped
T01 << 1462351438.48939109 van der Waals (4751.72445s) stopped
T01 << 1462351438.67116904 XC 3D grid (4923.22087s) stopped
T01 >> 1462351438.67123699 Poisson (1011.18486s) started
T01 << 1462351440.44664598 Poisson (1012.96027s) stopped
T01 >> 1462351440.44676495 Hartree integrate/restrict (38.90909s) started
T01 << 1462351440.46372390 Hartree integrate/restrict (38.92605s) stopped
T01 >> 1462351440.46384001 Hartree integrate/restrict (38.92613s) started
T01 << 1462351440.52645802 Hartree integrate/restrict (38.98875s) stopped
T01 >> 1462351440.55072689 Atomic (3037.74570s) started
T01 >> 1462351440.56090093 XC Correction (3031.51145s) started
T01 << 1462351447.11666894 XC Correction (3038.06722s) stopped
T01 << 1462351447.11968303 Atomic (3044.31465s) stopped
T01 >> 1462351447.11978292 Communicate (2305.35016s) started
T01 << 1462351453.52345896 Communicate (2311.75383s) stopped
T01 << 1462351453.52349496 Hamiltonian (11348.23012s) stopped
T01 >> 1462351453.52358007 LCAO eigensolver (4088.73319s) started
T01 >> 1462351453.52359295 Potential matrix (131.20593s) started
T01 << 1462351453.78733993 Potential matrix (131.46968s) stopped
T01 >> 1462351453.78741407 DistributedAtomicCorrection (679.32802s) started
T01 << 1462351455.11418700 DistributedAtomicCorrection (680.65479s) stopped
T01 >> 1462351455.11424398 Distribute overlap matrix (589.21816s) started
T01 >> 1462351455.11426592 blocked summation (558.58964s) started
T01 << 1462351456.27104998 blocked summation (559.74643s) stopped
T01 >> 1462351456.27248406 Scalapack redistribute (29.83148s) started
T01 << 1462351456.33001089 Scalapack redistribute (29.88900s) stopped
T01 << 1462351456.33009005 Distribute overlap matrix (590.43401s) stopped
T01 >> 1462351456.33067799 Blacs Orbital Layouts (1402.46558s) started
T01 >> 1462351456.33182812 General diagonalize (1374.40539s) started
T01 << 1462351459.03948998 General diagonalize (1377.11305s) stopped
T01 >> 1462351459.03954101 Redistribute coefs (1.51637s) started
T01 << 1462351459.04238796 Redistribute coefs (1.51922s) stopped
T01 >> 1462351459.04243112 Send coefs to domains (25.76926s) started
T01 << 1462351459.09262896 Send coefs to domains (25.81946s) stopped
T01 << 1462351459.09268594 Blacs Orbital Layouts (1405.22759s) stopped
T01 >> 1462351459.09273791 Calculate projections (1286.08319s) started
T01 << 1462351461.55976605 Calculate projections (1288.55021s) stopped
T01 << 1462351461.55983591 LCAO eigensolver (4096.76944s) stopped
T01 >> 1462351461.56045008 Density (999.89844s) started
T01 >> 1462351461.56046295 Pseudo density (826.62507s) started
T01 >> 1462351461.56088901 Calculate density matrix (742.86580s) started
T01 << 1462351463.17834496 Calculate density matrix (744.48325s) stopped
T01 >> 1462351463.17842507 Construct density (82.59184s) started
T01 << 1462351463.35650992 Construct density (82.76992s) stopped
T01 >> 1462351463.35791993 Symmetrize density (0.02097s) started
T01 << 1462351463.35795498 Symmetrize density (0.02101s) stopped
T01 << 1462351463.35839701 Pseudo density (828.42300s) stopped
T01 >> 1462351463.35841703 Atomic density matrices (114.85506s) started
T01 << 1462351463.60144711 Atomic density matrices (115.09809s) stopped
T01 >> 1462351463.60148907 Multipole moments (1.86088s) started
T01 << 1462351463.60559797 Multipole moments (1.86499s) stopped
T01 >> 1462351463.60561991 Normalize (0.51426s) started
T01 << 1462351463.60672402 Normalize (0.51536s) stopped
T01 >> 1462351463.60675812 Mix (56.01141s) started
T01 << 1462351463.71511412 Mix (56.11977s) stopped
T01 << 1462351463.71521497 Density (1002.05321s) stopped
T01 >> 1462351463.71531296 Hamiltonian (11348.23013s) started
T01 >> 1462351463.71533298 vbar (6.74501s) started
T01 << 1462351463.73007894 vbar (6.75976s) stopped
T01 >> 1462351463.73021603 XC 3D grid (4923.22093s) started
T01 >> 1462351463.90461397 van der Waals (4751.72450s) started
T01 >> 1462351463.94706702 semilocal (1071.21644s) started
T01 << 1462351466.13922691 semilocal (1073.40860s) stopped
T01 >> 1462351466.17380595 redistribute (520.89250s) started
T01 << 1462351466.58457494 redistribute (521.30327s) stopped
T01 >> 1462351466.58464289 libvdwxc nonlocal (3123.21899s) started
T01 << 1462351473.21921301 libvdwxc nonlocal (3129.85356s) stopped
T01 >> 1462351473.21927404 redistribute (521.30331s) started
T01 << 1462351473.86837602 redistribute (521.95241s) stopped
T01 << 1462351473.86933708 van der Waals (4761.68922s) stopped
T01 << 1462351474.05094504 XC 3D grid (4933.54166s) stopped
T01 >> 1462351474.05099106 Poisson (1012.96036s) started
T01 << 1462351475.84998894 Poisson (1014.75935s) stopped
T01 >> 1462351475.85005498 Hartree integrate/restrict (38.98878s) started
T01 << 1462351475.86917996 Hartree integrate/restrict (39.00791s) stopped
T01 >> 1462351475.86930394 Hartree integrate/restrict (39.00801s) started
T01 << 1462351475.93115091 Hartree integrate/restrict (39.06985s) stopped
T01 >> 1462351475.95410991 Atomic (3044.31467s) started
T01 >> 1462351475.96421504 XC Correction (3038.06725s) started
T01 << 1462351482.24192405 XC Correction (3044.34496s) stopped
T01 << 1462351482.24497008 Atomic (3050.60553s) stopped
T01 >> 1462351482.24506807 Communicate (2311.75386s) started
T01 << 1462351488.25341296 Communicate (2317.76220s) stopped
T01 << 1462351488.25343990 Hamiltonian (11372.76826s) stopped
T01 >> 1462351488.25351310 LCAO eigensolver (4096.76946s) started
T01 >> 1462351488.25352597 Potential matrix (131.46972s) started
T01 << 1462351488.51606011 Potential matrix (131.73225s) stopped
T01 >> 1462351488.51613307 DistributedAtomicCorrection (680.65483s) started
T01 << 1462351489.84888506 DistributedAtomicCorrection (681.98758s) stopped
T01 >> 1462351489.84894204 Distribute overlap matrix (590.43402s) started
T01 >> 1462351489.84896398 blocked summation (559.74647s) started
T01 << 1462351491.01111794 blocked summation (560.90862s) stopped
T01 >> 1462351491.01257610 Scalapack redistribute (29.88904s) started
T01 << 1462351491.07309294 Scalapack redistribute (29.94955s) stopped
T01 << 1462351491.07317400 Distribute overlap matrix (591.65825s) stopped
T01 >> 1462351491.07376003 Blacs Orbital Layouts (1405.22760s) started
T01 >> 1462351491.07489610 General diagonalize (1377.11309s) started
T01 << 1462351493.78734112 General diagonalize (1379.82553s) stopped
T01 >> 1462351493.78740907 Redistribute coefs (1.51925s) started
T01 << 1462351493.79020810 Redistribute coefs (1.52205s) stopped
T01 >> 1462351493.79028797 Send coefs to domains (25.81951s) started
T01 << 1462351493.84081793 Send coefs to domains (25.87004s) stopped
T01 << 1462351493.84086990 Blacs Orbital Layouts (1407.99471s) stopped
T01 >> 1462351493.84092307 Calculate projections (1288.55026s) started
T01 << 1462351496.30596900 Calculate projections (1291.01531s) stopped
T01 << 1462351496.30605006 LCAO eigensolver (4104.82199s) stopped
T01 >> 1462351496.30674195 Density (1002.05322s) started
T01 >> 1462351496.30675507 Pseudo density (828.42302s) started
T01 >> 1462351496.30719304 Calculate density matrix (744.48330s) started
T01 << 1462351497.93414807 Calculate density matrix (746.11026s) stopped
T01 >> 1462351497.93424010 Construct density (82.76996s) started
T01 << 1462351498.11222410 Construct density (82.94794s) stopped
T01 >> 1462351498.11364698 Symmetrize density (0.02102s) started
T01 << 1462351498.11368108 Symmetrize density (0.02106s) stopped
T01 << 1462351498.11412501 Pseudo density (830.23039s) stopped
T01 >> 1462351498.11414504 Atomic density matrices (115.09812s) started
T01 << 1462351498.35894108 Atomic density matrices (115.34292s) stopped
T01 >> 1462351498.35898089 Multipole moments (1.86500s) started
T01 << 1462351498.36308599 Multipole moments (1.86911s) stopped
T01 >> 1462351498.36310792 Normalize (0.51538s) started
T01 << 1462351498.36414599 Normalize (0.51642s) stopped
T01 >> 1462351498.36418104 Mix (56.11987s) started
T01 << 1462351498.47648001 Mix (56.23216s) stopped
T01 << 1462351498.47659111 Density (1004.22307s) stopped
T01 >> 1462351498.47669411 Hamiltonian (11372.76827s) started
T01 >> 1462351498.47671604 vbar (6.75984s) started
T01 << 1462351498.49292493 vbar (6.77605s) stopped
T01 >> 1462351498.49302411 XC 3D grid (4933.54169s) started
T01 >> 1462351498.66922998 van der Waals (4761.68925s) started
T01 >> 1462351498.71143508 semilocal (1073.40872s) started
T01 << 1462351500.93392491 semilocal (1075.63121s) stopped
T01 >> 1462351500.96660709 redistribute (521.95246s) started
T01 << 1462351501.35313511 redistribute (522.33899s) stopped
T01 >> 1462351501.35320306 libvdwxc nonlocal (3129.85360s) started
T01 << 1462351508.06294203 libvdwxc nonlocal (3136.56333s) stopped
T01 >> 1462351508.06303596 redistribute (522.33903s) started
T01 << 1462351508.70985508 redistribute (522.98584s) stopped
T01 << 1462351508.71089602 van der Waals (4771.73091s) stopped
T01 << 1462351508.89482307 XC 3D grid (4943.94349s) stopped
T01 >> 1462351508.89487290 Poisson (1014.75940s) started
T01 << 1462351511.27204990 Poisson (1017.13658s) stopped
T01 >> 1462351511.27213407 Hartree integrate/restrict (39.06989s) started
T01 << 1462351511.29127693 Hartree integrate/restrict (39.08903s) stopped
T01 >> 1462351511.29133105 Hartree integrate/restrict (39.08907s) started
T01 << 1462351511.35832596 Hartree integrate/restrict (39.15606s) stopped
T01 >> 1462351511.37615705 Atomic (3050.60555s) started
T01 >> 1462351511.38629198 XC Correction (3044.34498s) started
T01 << 1462351517.60274792 XC Correction (3050.56144s) stopped
T01 << 1462351517.60576701 Atomic (3056.83516s) stopped
T01 >> 1462351517.60586691 Communicate (2317.76222s) started
T01 << 1462351523.11549306 Communicate (2323.27185s) stopped
T01 << 1462351523.11552310 Hamiltonian (11397.40710s) stopped
T01 >> 1462351523.11559510 LCAO eigensolver (4104.82201s) started
T01 >> 1462351523.11560798 Potential matrix (131.73229s) started
T01 << 1462351523.37885904 Potential matrix (131.99554s) stopped
T01 >> 1462351523.37893105 DistributedAtomicCorrection (681.98762s) started
T01 << 1462351524.69796491 DistributedAtomicCorrection (683.30665s) stopped
T01 >> 1462351524.69802189 Distribute overlap matrix (591.65826s) started
T01 >> 1462351524.69807506 blocked summation (560.90866s) started
T01 << 1462351525.85285497 blocked summation (562.06344s) stopped
T01 >> 1462351525.85435605 Scalapack redistribute (29.94959s) started
T01 << 1462351525.91216302 Scalapack redistribute (30.00739s) stopped
T01 << 1462351525.91224098 Distribute overlap matrix (592.87248s) stopped
T01 >> 1462351525.91282201 Blacs Orbital Layouts (1407.99472s) started
T01 >> 1462351525.91399288 General diagonalize (1379.82557s) started
T01 << 1462351528.63358998 General diagonalize (1382.54517s) stopped
T01 >> 1462351528.63366103 Redistribute coefs (1.52208s) started
T01 << 1462351528.63650203 Redistribute coefs (1.52492s) stopped
T01 >> 1462351528.63658309 Send coefs to domains (25.87008s) started
T01 << 1462351528.68610597 Send coefs to domains (25.91960s) stopped
T01 << 1462351528.68616009 Blacs Orbital Layouts (1410.76806s) stopped
T01 >> 1462351528.68621612 Calculate projections (1291.01536s) started
T01 << 1462351531.15115690 Calculate projections (1293.48030s) stopped
T01 << 1462351531.15123510 LCAO eigensolver (4112.85765s) stopped
T01 >> 1462351531.15197110 Density (1004.22309s) started
T01 >> 1462351531.15198398 Pseudo density (830.23040s) started
T01 >> 1462351531.15242791 Calculate density matrix (746.11030s) started
T01 << 1462351532.77652597 Calculate density matrix (747.73439s) stopped
T01 >> 1462351532.77661800 Construct density (82.94797s) started
T01 << 1462351532.95506191 Construct density (83.12642s) stopped
T01 >> 1462351532.95647097 Symmetrize density (0.02107s) started
T01 << 1462351532.95650506 Symmetrize density (0.02110s) stopped
T01 << 1462351532.95695591 Pseudo density (832.03537s) stopped
T01 >> 1462351532.95697594 Atomic density matrices (115.34295s) started
T01 << 1462351533.19991994 Atomic density matrices (115.58589s) stopped
T01 >> 1462351533.19995999 Multipole moments (1.86912s) started
T01 << 1462351533.20408702 Multipole moments (1.87325s) stopped
T01 >> 1462351533.20410895 Normalize (0.51645s) started
T01 << 1462351533.20517993 Normalize (0.51752s) stopped
T01 >> 1462351533.20521498 Mix (56.23227s) started
T01 << 1462351533.32107210 Mix (56.34813s) stopped
T01 << 1462351533.32112503 Density (1006.39225s) stopped
T01 >> 1462351533.32120895 Hamiltonian (11397.40711s) started
T01 >> 1462351533.32122707 vbar (6.77611s) started
T01 << 1462351533.33754396 vbar (6.79242s) stopped
T01 >> 1462351533.33761096 XC 3D grid (4943.94353s) started
T01 >> 1462351533.51441407 van der Waals (4771.73096s) started
T01 >> 1462351533.55798507 semilocal (1075.63130s) started
T01 << 1462351535.78131604 semilocal (1077.85463s) stopped
T01 >> 1462351535.81440592 redistribute (522.98589s) started
T01 << 1462351536.20266604 redistribute (523.37415s) stopped
T01 >> 1462351536.20273399 libvdwxc nonlocal (3136.56340s) started
T01 << 1462351542.91088009 libvdwxc nonlocal (3143.27154s) stopped
T01 >> 1462351542.91094995 redistribute (523.37419s) started
T01 << 1462351543.55994701 redistribute (524.02318s) stopped
T01 << 1462351543.56108308 van der Waals (4781.77763s) stopped
T01 << 1462351543.74530602 XC 3D grid (4954.35122s) stopped
T01 >> 1462351543.74537802 Poisson (1017.13664s) started
T01 << 1462351546.12987709 Poisson (1019.52114s) stopped
T01 >> 1462351546.13000798 Hartree integrate/restrict (39.15611s) started
T01 << 1462351546.14890099 Hartree integrate/restrict (39.17500s) stopped
T01 >> 1462351546.14903092 Hartree integrate/restrict (39.17509s) started
T01 << 1462351546.21670604 Hartree integrate/restrict (39.24277s) stopped
T01 >> 1462351546.23423600 Atomic (3056.83517s) started
T01 >> 1462351546.24440503 XC Correction (3050.56146s) started
T01 << 1462351552.52992201 XC Correction (3056.84698s) stopped
T01 << 1462351552.53296590 Atomic (3063.13390s) stopped
T01 >> 1462351552.53306389 Communicate (2323.27187s) started
T01 << 1462351557.61439705 Communicate (2328.35320s) stopped
T01 << 1462351557.61442399 Hamiltonian (11421.70033s) stopped
T01 >> 1462351557.61449790 LCAO eigensolver (4112.85766s) started
T01 >> 1462351557.61451101 Potential matrix (131.99558s) started
T01 << 1462351557.87860298 Potential matrix (132.25967s) stopped
T01 >> 1462351557.87867904 DistributedAtomicCorrection (683.30669s) started
T01 << 1462351559.19685793 DistributedAtomicCorrection (684.62487s) stopped
T01 >> 1462351559.19691491 Distribute overlap matrix (592.87249s) started
T01 >> 1462351559.19693708 blocked summation (562.06349s) started
T01 << 1462351560.37093091 blocked summation (563.23748s) stopped
T01 >> 1462351560.37238193 Scalapack redistribute (30.00743s) started
T01 << 1462351560.43248010 Scalapack redistribute (30.06753s) stopped
T01 << 1462351560.43255901 Distribute overlap matrix (594.10814s) stopped
T01 >> 1462351560.43313789 Blacs Orbital Layouts (1410.76807s) started
T01 >> 1462351560.43430400 General diagonalize (1382.54520s) started
T01 << 1462351563.14864707 General diagonalize (1385.25955s) stopped
T01 >> 1462351563.14871407 Redistribute coefs (1.52496s) started
T01 << 1462351563.15254402 Redistribute coefs (1.52879s) stopped
T01 >> 1462351563.15259099 Send coefs to domains (25.91964s) started
T01 << 1462351563.20103598 Send coefs to domains (25.96809s) stopped
T01 << 1462351563.20109296 Blacs Orbital Layouts (1413.53602s) stopped
T01 >> 1462351563.20114493 Calculate projections (1293.48036s) started
T01 << 1462351565.66604996 Calculate projections (1295.94526s) stopped
T01 << 1462351565.66612911 LCAO eigensolver (4120.90929s) stopped
T01 >> 1462351565.66684699 Density (1006.39226s) started
T01 >> 1462351565.66685891 Pseudo density (832.03539s) started
T01 >> 1462351565.66729307 Calculate density matrix (747.73444s) started
T01 << 1462351567.29062390 Calculate density matrix (749.35777s) stopped
T01 >> 1462351567.29072595 Construct density (83.12645s) started
T01 << 1462351567.46861696 Construct density (83.30434s) stopped
T01 >> 1462351567.46999907 Symmetrize density (0.02111s) started
T01 << 1462351567.47003102 Symmetrize density (0.02115s) stopped
T01 << 1462351567.47046995 Pseudo density (833.83900s) stopped
T01 >> 1462351567.47048998 Atomic density matrices (115.58592s) started
T01 << 1462351567.71528006 Atomic density matrices (115.83071s) stopped
T01 >> 1462351567.71532106 Multipole moments (1.87327s) started
T01 << 1462351567.71943903 Multipole moments (1.87738s) stopped
T01 >> 1462351567.71946096 Normalize (0.51754s) started
T01 << 1462351567.72049499 Normalize (0.51858s) stopped
T01 >> 1462351567.72053099 Mix (56.34818s) started
T01 << 1462351567.83958602 Mix (56.46724s) stopped
T01 << 1462351567.83969092 Density (1008.56511s) stopped
T01 >> 1462351567.83978391 Hamiltonian (11421.70034s) started
T01 >> 1462351567.83980298 vbar (6.79246s) started
T01 << 1462351567.85599995 vbar (6.80866s) stopped
T01 >> 1462351567.85609603 XC 3D grid (4954.35128s) started
T01 >> 1462351568.03107095 van der Waals (4781.77765s) started
T01 >> 1462351568.07276011 semilocal (1077.85473s) started
T01 << 1462351570.31357598 semilocal (1080.09555s) stopped
T01 >> 1462351570.34585404 redistribute (524.02322s) started
T01 << 1462351570.72763395 redistribute (524.40500s) stopped
T01 >> 1462351570.72770500 libvdwxc nonlocal (3143.27159s) started
T01 << 1462351577.44124389 libvdwxc nonlocal (3149.98513s) stopped
T01 >> 1462351577.44131494 redistribute (524.40504s) started
T01 << 1462351578.09116793 redistribute (525.05490s) stopped
T01 << 1462351578.09218907 van der Waals (4791.83877s) stopped
T01 << 1462351578.27127409 XC 3D grid (4964.76646s) stopped
T01 >> 1462351578.27132392 Poisson (1019.52124s) started
T01 << 1462351580.65303993 Poisson (1021.90296s) stopped
T01 >> 1462351580.65310693 Hartree integrate/restrict (39.24280s) started
T01 << 1462351580.67229891 Hartree integrate/restrict (39.26199s) stopped
T01 >> 1462351580.67234492 Hartree integrate/restrict (39.26202s) started
T01 << 1462351580.74011302 Hartree integrate/restrict (39.32979s) stopped
T01 >> 1462351580.75689101 Atomic (3063.13392s) started
T01 >> 1462351580.76723003 XC Correction (3056.84700s) started
T01 << 1462351587.09549999 XC Correction (3063.17527s) stopped
T01 << 1462351587.09852695 Atomic (3069.47556s) stopped
T01 >> 1462351587.09866309 Communicate (2328.35322s) started
T01 << 1462351592.09463191 Communicate (2333.34919s) stopped
T01 << 1462351592.09466410 Hamiltonian (11445.95522s) stopped
T01 >> 1462351592.09473610 LCAO eigensolver (4120.90931s) started
T01 >> 1462351592.09474993 Potential matrix (132.25971s) started
T01 << 1462351592.35834289 Potential matrix (132.52330s) stopped
T01 >> 1462351592.35841489 DistributedAtomicCorrection (684.62490s) started
T01 << 1462351593.69206095 DistributedAtomicCorrection (685.95855s) stopped
T01 >> 1462351593.69211888 Distribute overlap matrix (594.10815s) started
T01 >> 1462351593.69214106 blocked summation (563.23752s) started
T01 << 1462351594.80738592 blocked summation (564.35277s) stopped
T01 >> 1462351594.80879092 Scalapack redistribute (30.06756s) started
T01 << 1462351594.87032199 Scalapack redistribute (30.12909s) stopped
T01 << 1462351594.87040305 Distribute overlap matrix (595.28643s) stopped
T01 >> 1462351594.87099099 Blacs Orbital Layouts (1413.53604s) started
T01 >> 1462351594.87214804 General diagonalize (1385.25959s) started
T01 << 1462351597.60462809 General diagonalize (1387.99207s) stopped
T01 >> 1462351597.60469794 Redistribute coefs (1.52883s) started
T01 << 1462351597.60834002 Redistribute coefs (1.53247s) stopped
T01 >> 1462351597.60839105 Send coefs to domains (25.96813s) started
T01 << 1462351597.65729904 Send coefs to domains (26.01704s) stopped
T01 << 1462351597.65759206 Blacs Orbital Layouts (1416.32264s) stopped
T01 >> 1462351597.65765810 Calculate projections (1295.94531s) started
T01 << 1462351600.12247491 Calculate projections (1298.41013s) stopped
T01 << 1462351600.12255597 LCAO eigensolver (4128.93713s) stopped
T01 >> 1462351600.12327194 Density (1008.56513s) started
T01 >> 1462351600.12328506 Pseudo density (833.83901s) started
T01 >> 1462351600.12372708 Calculate density matrix (749.35782s) started
T01 << 1462351601.75234294 Calculate density matrix (750.98643s) stopped
T01 >> 1462351601.75243592 Construct density (83.30437s) started
T01 << 1462351601.93036890 Construct density (83.48231s) stopped
T01 >> 1462351601.93176889 Symmetrize density (0.02116s) started
T01 << 1462351601.93180299 Symmetrize density (0.02119s) stopped
T01 << 1462351601.93224406 Pseudo density (835.64797s) stopped
T01 >> 1462351601.93226409 Atomic density matrices (115.83073s) started
T01 << 1462351602.17623901 Atomic density matrices (116.07471s) stopped
T01 >> 1462351602.17628098 Multipole moments (1.87740s) started
T01 << 1462351602.18041205 Multipole moments (1.88153s) stopped
T01 >> 1462351602.18043399 Normalize (0.51860s) started
T01 << 1462351602.18147206 Normalize (0.51964s) stopped
T01 >> 1462351602.18150711 Mix (56.46734s) started
T01 << 1462351602.30170703 Mix (56.58754s) stopped
T01 << 1462351602.30180693 Density (1010.74366s) stopped
T01 >> 1462351602.30190492 Hamiltonian (11445.95523s) started
T01 >> 1462351602.30192494 vbar (6.80872s) started
T01 << 1462351602.31775188 vbar (6.82454s) stopped
T01 >> 1462351602.31784511 XC 3D grid (4964.76650s) started
T01 >> 1462351602.48762608 van der Waals (4791.83882s) started
T01 >> 1462351602.52985501 semilocal (1080.09564s) started
T01 << 1462351604.72473311 semilocal (1082.29051s) stopped
T01 >> 1462351604.75956988 redistribute (525.05494s) started
T01 << 1462351605.16712093 redistribute (525.46250s) stopped
T01 >> 1462351605.16718888 libvdwxc nonlocal (3149.98517s) started
T01 << 1462351611.87192893 libvdwxc nonlocal (3156.68991s) stopped
T01 >> 1462351611.87200308 redistribute (525.46253s) started
T01 << 1462351612.52082396 redistribute (526.11135s) stopped
T01 << 1462351612.52175403 van der Waals (4801.87294s) stopped
T01 << 1462351612.70194101 XC 3D grid (4975.15059s) stopped
T01 >> 1462351612.70199108 Poisson (1021.90301s) started
T01 << 1462351615.09117293 Poisson (1024.29219s) stopped
T01 >> 1462351615.09125900 Hartree integrate/restrict (39.32983s) started
T01 << 1462351615.11024308 Hartree integrate/restrict (39.34881s) stopped
T01 >> 1462351615.11032295 Hartree integrate/restrict (39.34887s) started
T01 << 1462351615.17729998 Hartree integrate/restrict (39.41584s) stopped
T01 >> 1462351615.19385195 Atomic (3069.47560s) started
T01 >> 1462351615.20422292 XC Correction (3063.17530s) started
T01 << 1462351621.54742289 XC Correction (3069.51850s) stopped
T01 << 1462351621.55046010 Atomic (3075.83221s) stopped
T01 >> 1462351621.55055904 Communicate (2333.34921s) started
T01 << 1462351626.62025905 Communicate (2338.41891s) stopped
T01 << 1462351626.62028599 Hamiltonian (11470.27361s) stopped
T01 >> 1462351626.62035704 LCAO eigensolver (4128.93714s) started
T01 >> 1462351626.62037110 Potential matrix (132.52334s) started
T01 << 1462351626.88415790 Potential matrix (132.78713s) stopped
T01 >> 1462351626.88423109 DistributedAtomicCorrection (685.95859s) started
T01 << 1462351628.22703600 DistributedAtomicCorrection (687.30139s) stopped
T01 >> 1462351628.22709394 Distribute overlap matrix (595.28644s) started
T01 >> 1462351628.22711492 blocked summation (564.35281s) started
T01 << 1462351629.33839393 blocked summation (565.46409s) stopped
T01 >> 1462351629.34067893 Scalapack redistribute (30.12913s) started
T01 << 1462351629.39887094 Scalapack redistribute (30.18732s) stopped
T01 << 1462351629.39895105 Distribute overlap matrix (596.45830s) stopped
T01 >> 1462351629.39954495 Blacs Orbital Layouts (1416.32266s) started
T01 >> 1462351629.40083003 General diagonalize (1387.99211s) started
T01 << 1462351632.12667298 General diagonalize (1390.71795s) stopped
T01 >> 1462351632.12673998 Redistribute coefs (1.53251s) started
T01 << 1462351632.12934303 Redistribute coefs (1.53511s) stopped
T01 >> 1462351632.12943292 Send coefs to domains (26.01708s) started
T01 << 1462351632.17956710 Send coefs to domains (26.06721s) stopped
T01 << 1462351632.17986298 Blacs Orbital Layouts (1419.10297s) stopped
T01 >> 1462351632.17992091 Calculate projections (1298.41019s) started
T01 << 1462351634.64479804 Calculate projections (1300.87506s) stopped
T01 << 1462351634.64522409 LCAO eigensolver (4136.96201s) stopped
T01 >> 1462351634.64593792 Density (1010.74368s) started
T01 >> 1462351634.64595103 Pseudo density (835.64799s) started
T01 >> 1462351634.64638710 Calculate density matrix (750.98648s) started
T01 << 1462351636.27453494 Calculate density matrix (752.61463s) stopped
T01 >> 1462351636.27463007 Construct density (83.48234s) started
T01 << 1462351636.45310402 Construct density (83.66081s) stopped
T01 >> 1462351636.45449400 Symmetrize density (0.02120s) started
T01 << 1462351636.45452905 Symmetrize density (0.02124s) stopped
T01 << 1462351636.45497394 Pseudo density (837.45701s) stopped
T01 >> 1462351636.45499396 Atomic density matrices (116.07474s) started
T01 << 1462351636.69819689 Atomic density matrices (116.31794s) stopped
T01 >> 1462351636.69823790 Multipole moments (1.88154s) started
T01 << 1462351636.70234799 Multipole moments (1.88565s) stopped
T01 >> 1462351636.70236993 Normalize (0.51967s) started
T01 << 1462351636.70339799 Normalize (0.52069s) stopped
T01 >> 1462351636.70343494 Mix (56.58763s) started
T01 << 1462351636.82115412 Mix (56.70535s) stopped
T01 << 1462351636.82124209 Density (1012.91899s) stopped
T01 >> 1462351636.82132506 Hamiltonian (11470.27363s) started
T01 >> 1462351636.82134199 vbar (6.82460s) started
T01 << 1462351636.83409810 vbar (6.83735s) stopped
T01 >> 1462351636.83420300 XC 3D grid (4975.15063s) started
T01 >> 1462351637.02053094 van der Waals (4801.87296s) started
T01 >> 1462351637.06459093 semilocal (1082.29060s) started
T01 << 1462351639.27373910 semilocal (1084.49975s) stopped
T01 >> 1462351639.30792189 redistribute (526.11141s) started
T01 << 1462351639.71021199 redistribute (526.51370s) stopped
T01 >> 1462351639.71027994 libvdwxc nonlocal (3156.68996s) started
T01 << 1462351646.41842890 libvdwxc nonlocal (3163.39811s) stopped
T01 >> 1462351646.41849709 redistribute (526.51374s) started
T01 << 1462351647.07083392 redistribute (527.16607s) stopped
T01 << 1462351647.07177711 van der Waals (4811.92421s) stopped
T01 << 1462351647.25118494 XC 3D grid (4985.56761s) stopped
T01 >> 1462351647.25125408 Poisson (1024.29226s) started
T01 << 1462351649.04858208 Poisson (1026.08959s) stopped
T01 >> 1462351649.04871392 Hartree integrate/restrict (39.41588s) started
T01 << 1462351649.06753492 Hartree integrate/restrict (39.43470s) stopped
T01 >> 1462351649.06770492 Hartree integrate/restrict (39.43483s) started
T01 << 1462351649.12956905 Hartree integrate/restrict (39.49669s) stopped
T01 >> 1462351649.15262103 Atomic (3075.83223s) started
T01 >> 1462351649.16307402 XC Correction (3069.51852s) started
T01 << 1462351655.59840202 XC Correction (3075.95385s) stopped
T01 << 1462351655.60143709 Atomic (3082.28104s) stopped
T01 >> 1462351655.60154200 Communicate (2338.41893s) started
T01 << 1462351660.51273704 Communicate (2343.33012s) stopped
T01 << 1462351660.51276398 Hamiltonian (11493.96507s) stopped
T01 >> 1462351660.51283908 LCAO eigensolver (4136.96202s) started
T01 >> 1462351660.51285195 Potential matrix (132.78716s) started
T01 << 1462351660.77613497 Potential matrix (133.05045s) stopped
T01 >> 1462351660.77620792 DistributedAtomicCorrection (687.30143s) started
T01 << 1462351662.11140800 DistributedAtomicCorrection (688.63663s) stopped
T01 >> 1462351662.11146498 Distribute overlap matrix (596.45831s) started
T01 >> 1462351662.11148596 blocked summation (565.46413s) started
T01 << 1462351663.23542190 blocked summation (566.58806s) stopped
T01 >> 1462351663.23717594 Scalapack redistribute (30.18735s) started
T01 << 1462351663.29920197 Scalapack redistribute (30.24938s) stopped
T01 << 1462351663.29928303 Distribute overlap matrix (597.64613s) stopped
T01 >> 1462351663.29988694 Blacs Orbital Layouts (1419.10299s) started
T01 >> 1462351663.30176306 General diagonalize (1390.71799s) started
T01 << 1462351666.01884007 General diagonalize (1393.43507s) stopped
T01 >> 1462351666.01890707 Redistribute coefs (1.53515s) started
T01 << 1462351666.02163506 Redistribute coefs (1.53788s) stopped
T01 >> 1462351666.02172589 Send coefs to domains (26.06726s) started
T01 << 1462351666.07141089 Send coefs to domains (26.11694s) stopped
T01 << 1462351666.07189012 Blacs Orbital Layouts (1421.87500s) stopped
T01 >> 1462351666.07194591 Calculate projections (1300.87511s) started
T01 << 1462351668.53689194 Calculate projections (1303.34006s) stopped
T01 << 1462351668.53717303 LCAO eigensolver (4144.98636s) stopped
T01 >> 1462351668.53794408 Density (1012.91900s) started
T01 >> 1462351668.53795695 Pseudo density (837.45702s) started
T01 >> 1462351668.53839803 Calculate density matrix (752.61467s) started
T01 << 1462351670.16384697 Calculate density matrix (754.24012s) stopped
T01 >> 1462351670.16398597 Construct density (83.66085s) started
T01 << 1462351670.34184909 Construct density (83.83871s) stopped
T01 >> 1462351670.34324288 Symmetrize density (0.02125s) started
T01 << 1462351670.34327698 Symmetrize density (0.02128s) stopped
T01 << 1462351670.34372401 Pseudo density (839.26279s) stopped
T01 >> 1462351670.34374404 Atomic density matrices (116.31797s) started
T01 << 1462351670.58771706 Atomic density matrices (116.56194s) stopped
T01 >> 1462351670.58775806 Multipole moments (1.88567s) started
T01 << 1462351670.59191608 Multipole moments (1.88983s) stopped
T01 >> 1462351670.59193993 Normalize (0.52072s) started
T01 << 1462351670.59299803 Normalize (0.52178s) stopped
T01 >> 1462351670.59303498 Mix (56.70544s) started
T01 << 1462351670.71230292 Mix (56.82470s) stopped
T01 << 1462351670.71240902 Density (1015.09347s) stopped
T01 >> 1462351670.71250391 Hamiltonian (11493.96508s) started
T01 >> 1462351670.71252298 vbar (6.83741s) started
T01 << 1462351670.72860098 vbar (6.85348s) stopped
T01 >> 1462351670.72869110 XC 3D grid (4985.56767s) started
T01 >> 1462351670.90567303 van der Waals (4811.92425s) started
T01 >> 1462351670.94806695 semilocal (1084.49985s) started
T01 << 1462351673.18806291 semilocal (1086.73985s) stopped
T01 >> 1462351673.21827197 redistribute (527.16613s) started
T01 << 1462351673.59267998 redistribute (527.54054s) stopped
T01 >> 1462351673.59274697 libvdwxc nonlocal (3163.39816s) started
T01 << 1462351680.28779602 libvdwxc nonlocal (3170.09321s) stopped
T01 >> 1462351680.28788209 redistribute (527.54058s) started
T01 << 1462351680.93739891 redistribute (528.19009s) stopped
T01 << 1462351680.93847108 van der Waals (4821.95704s) stopped
T01 << 1462351681.11929107 XC 3D grid (4995.95827s) stopped
T01 >> 1462351681.11933994 Poisson (1026.08969s) started
T01 << 1462351682.91527104 Poisson (1027.88562s) stopped
T01 >> 1462351682.91533899 Hartree integrate/restrict (39.49673s) started
T01 << 1462351682.93441892 Hartree integrate/restrict (39.51581s) stopped
T01 >> 1462351682.93448305 Hartree integrate/restrict (39.51585s) started
T01 << 1462351683.00247407 Hartree integrate/restrict (39.58384s) stopped
T01 >> 1462351683.01621699 Atomic (3082.28106s) started
T01 >> 1462351683.02654791 XC Correction (3075.95387s) started
T01 << 1462351689.38678408 XC Correction (3082.31411s) stopped
T01 << 1462351689.38981891 Atomic (3088.65466s) stopped
T01 >> 1462351689.38991904 Communicate (2343.33014s) started
T01 << 1462351694.38456202 Communicate (2348.32478s) stopped
T01 << 1462351694.38459110 Hamiltonian (11517.63717s) stopped
T01 >> 1462351694.38466597 LCAO eigensolver (4144.98638s) started
T01 >> 1462351694.38468003 Potential matrix (133.05049s) started
T01 << 1462351694.64791894 Potential matrix (133.31372s) stopped
T01 >> 1462351694.64798999 DistributedAtomicCorrection (688.63667s) started
T01 << 1462351695.98072004 DistributedAtomicCorrection (689.96940s) stopped
T01 >> 1462351695.98077703 Distribute overlap matrix (597.64614s) started
T01 >> 1462351695.98079896 blocked summation (566.58810s) started
T01 << 1462351697.13148904 blocked summation (567.73879s) stopped
T01 >> 1462351697.13347697 Scalapack redistribute (30.24942s) started
T01 << 1462351697.19347811 Scalapack redistribute (30.30942s) stopped
T01 << 1462351697.19355893 Distribute overlap matrix (598.85892s) stopped
T01 >> 1462351697.19415593 Blacs Orbital Layouts (1421.87501s) started
T01 >> 1462351697.19545197 General diagonalize (1393.43510s) started
T01 << 1462351699.92252207 General diagonalize (1396.16217s) stopped
T01 >> 1462351699.92258906 Redistribute coefs (1.53792s) started
T01 << 1462351699.92515206 Redistribute coefs (1.54048s) stopped
T01 >> 1462351699.92524505 Send coefs to domains (26.11699s) started
T01 << 1462351699.97561407 Send coefs to domains (26.16735s) stopped
T01 << 1462351699.97590494 Blacs Orbital Layouts (1424.65676s) stopped
T01 >> 1462351699.97596407 Calculate projections (1303.34012s) started
T01 << 1462351702.44106102 Calculate projections (1305.80521s) stopped
T01 << 1462351702.44133806 LCAO eigensolver (4153.04305s) stopped
T01 >> 1462351702.44212294 Density (1015.09349s) started
T01 >> 1462351702.44213700 Pseudo density (839.26281s) started
T01 >> 1462351702.44258189 Calculate density matrix (754.24020s) started
T01 << 1462351704.07403994 Calculate density matrix (755.87166s) stopped
T01 >> 1462351704.07413411 Construct density (83.83874s) started
T01 << 1462351704.25214195 Construct density (84.01675s) stopped
T01 >> 1462351704.25355506 Symmetrize density (0.02129s) started
T01 << 1462351704.25358796 Symmetrize density (0.02133s) stopped
T01 << 1462351704.25403810 Pseudo density (841.07471s) stopped
T01 >> 1462351704.25405788 Atomic density matrices (116.56197s) started
T01 << 1462351704.49875808 Atomic density matrices (116.80667s) stopped
T01 >> 1462351704.49879909 Multipole moments (1.88984s) started
T01 << 1462351704.50296307 Multipole moments (1.89401s) stopped
T01 >> 1462351704.50298500 Normalize (0.52180s) started
T01 << 1462351704.50402689 Normalize (0.52285s) stopped
T01 >> 1462351704.50406194 Mix (56.82481s) started
T01 << 1462351704.62308192 Mix (56.94383s) stopped
T01 << 1462351704.62318301 Density (1017.27455s) stopped
T01 >> 1462351704.62327695 Hamiltonian (11517.63718s) started
T01 >> 1462351704.62329793 vbar (6.85354s) started
T01 << 1462351704.63944292 vbar (6.86968s) stopped
T01 >> 1462351704.63953710 XC 3D grid (4995.95831s) started
T01 >> 1462351704.81670189 van der Waals (4821.95707s) started
T01 >> 1462351704.85923290 semilocal (1086.73991s) started
T01 << 1462351707.08873391 semilocal (1088.96941s) stopped
T01 >> 1462351707.12192202 redistribute (528.19014s) started
T01 << 1462351707.50405598 redistribute (528.57227s) stopped
T01 >> 1462351707.50412512 libvdwxc nonlocal (3170.09326s) started
T01 << 1462351714.20358610 libvdwxc nonlocal (3176.79273s) stopped
T01 >> 1462351714.20368409 redistribute (528.57231s) started
T01 << 1462351714.85263109 redistribute (529.22126s) stopped
T01 << 1462351714.85365605 van der Waals (4831.99402s) stopped
T01 << 1462351715.03381610 XC 3D grid (5006.35259s) stopped
T01 >> 1462351715.03386807 Poisson (1027.88567s) started
T01 << 1462351716.83259511 Poisson (1029.68440s) stopped
T01 >> 1462351716.83267903 Hartree integrate/restrict (39.58388s) started
T01 << 1462351716.85170293 Hartree integrate/restrict (39.60290s) stopped
T01 >> 1462351716.85178089 Hartree integrate/restrict (39.60296s) started
T01 << 1462351716.91270709 Hartree integrate/restrict (39.66388s) stopped
T01 >> 1462351716.93525004 Atomic (3088.65468s) started
T01 >> 1462351716.94566202 XC Correction (3082.31413s) started
T01 << 1462351723.26966095 XC Correction (3088.63813s) stopped
T01 << 1462351723.27271104 Atomic (3094.99214s) stopped
T01 >> 1462351723.27281404 Communicate (2348.32480s) started
T01 << 1462351728.46501207 Communicate (2353.51700s) stopped
T01 << 1462351728.46503997 Hamiltonian (11541.47894s) stopped
T01 >> 1462351728.46511292 LCAO eigensolver (4153.04307s) started
T01 >> 1462351728.46512604 Potential matrix (133.31376s) started
T01 << 1462351728.72901797 Potential matrix (133.57765s) stopped
T01 >> 1462351728.72908998 DistributedAtomicCorrection (689.96944s) started
T01 << 1462351730.06732392 DistributedAtomicCorrection (691.30767s) stopped
T01 >> 1462351730.06738210 Distribute overlap matrix (598.85894s) started
T01 >> 1462351730.06740403 blocked summation (567.73883s) started
T01 << 1462351731.20853710 blocked summation (568.87996s) stopped
T01 >> 1462351731.21081209 Scalapack redistribute (30.30945s) started
T01 << 1462351731.26879597 Scalapack redistribute (30.36744s) stopped
T01 << 1462351731.26887798 Distribute overlap matrix (600.06043s) stopped
T01 >> 1462351731.26947188 Blacs Orbital Layouts (1424.65678s) started
T01 >> 1462351731.27100992 General diagonalize (1396.16221s) started
T01 << 1462351734.01245809 General diagonalize (1398.90366s) stopped
T01 >> 1462351734.01252604 Redistribute coefs (1.54052s) started
T01 << 1462351734.01516390 Redistribute coefs (1.54315s) stopped
T01 >> 1462351734.01524901 Send coefs to domains (26.16740s) started
T01 << 1462351734.06620693 Send coefs to domains (26.21836s) stopped
T01 << 1462351734.06654811 Blacs Orbital Layouts (1427.45386s) stopped
T01 >> 1462351734.06660295 Calculate projections (1305.80527s) started
T01 << 1462351736.53157997 Calculate projections (1308.27025s) stopped
T01 << 1462351736.53201604 LCAO eigensolver (4161.10997s) stopped
T01 >> 1462351736.53274989 Density (1017.27456s) started
T01 >> 1462351736.53276396 Pseudo density (841.07472s) started
T01 >> 1462351736.53320408 Calculate density matrix (755.87170s) started
T01 << 1462351738.15776110 Calculate density matrix (757.49625s) stopped
T01 >> 1462351738.15785599 Construct density (84.01678s) started
T01 << 1462351738.33623195 Construct density (84.19516s) stopped
T01 >> 1462351738.33763599 Symmetrize density (0.02134s) started
T01 << 1462351738.33767200 Symmetrize density (0.02137s) stopped
T01 << 1462351738.33810997 Pseudo density (842.88007s) stopped
T01 >> 1462351738.33813000 Atomic density matrices (116.80670s) started
T01 << 1462351738.58197308 Atomic density matrices (117.05054s) stopped
T01 >> 1462351738.58201289 Multipole moments (1.89402s) started
T01 << 1462351738.58617711 Multipole moments (1.89818s) stopped
T01 >> 1462351738.58619905 Normalize (0.52287s) started
T01 << 1462351738.58726501 Normalize (0.52394s) stopped
T01 >> 1462351738.58730102 Mix (56.94392s) started
T01 << 1462351738.70571089 Mix (57.06233s) stopped
T01 << 1462351738.70581603 Density (1019.44763s) stopped
T01 >> 1462351738.70589900 Hamiltonian (11541.47896s) started
T01 >> 1462351738.70591688 vbar (6.86974s) started
T01 << 1462351738.72240710 vbar (6.88623s) stopped
T01 >> 1462351738.72250104 XC 3D grid (5006.35263s) started
T01 >> 1462351738.90097904 van der Waals (4831.99405s) started
T01 >> 1462351738.94418502 semilocal (1088.96949s) started
T01 << 1462351741.16081905 semilocal (1091.18612s) stopped
T01 >> 1462351741.19343400 redistribute (529.22130s) started
T01 << 1462351741.58608294 redistribute (529.61395s) stopped
T01 >> 1462351741.58617210 libvdwxc nonlocal (3176.79278s) started
T01 << 1462351748.27887988 libvdwxc nonlocal (3183.48548s) stopped
T01 >> 1462351748.27895308 redistribute (529.61401s) started
T01 << 1462351748.92917395 redistribute (530.26423s) stopped
T01 << 1462351748.93012190 van der Waals (4842.02319s) stopped
T01 << 1462351749.11221695 XC 3D grid (5016.74234s) stopped
T01 >> 1462351749.11229300 Poisson (1029.68446s) started
T01 << 1462351750.31928110 Poisson (1030.89145s) stopped
T01 >> 1462351750.31941509 Hartree integrate/restrict (39.66393s) started
T01 << 1462351750.33821988 Hartree integrate/restrict (39.68273s) stopped
T01 >> 1462351750.33834910 Hartree integrate/restrict (39.68282s) started
T01 << 1462351750.40578699 Hartree integrate/restrict (39.75026s) stopped
T01 >> 1462351750.42268300 Atomic (3094.99216s) started
T01 >> 1462351750.43301511 XC Correction (3088.63816s) started
T01 << 1462351756.79225802 XC Correction (3094.99740s) stopped
T01 << 1462351756.79530001 Atomic (3101.36477s) stopped
T01 >> 1462351756.79540205 Communicate (2353.51702s) started
T01 << 1462351761.82377195 Communicate (2358.54539s) stopped
T01 << 1462351761.82379889 Hamiltonian (11564.59686s) stopped
T01 >> 1462351761.82387090 LCAO eigensolver (4161.10999s) started
T01 >> 1462351761.82388401 Potential matrix (133.57769s) started
T01 << 1462351762.08886790 Potential matrix (133.84268s) stopped
T01 >> 1462351762.08894300 DistributedAtomicCorrection (691.30771s) started
T01 << 1462351763.41755390 DistributedAtomicCorrection (692.63632s) stopped
T01 >> 1462351763.41761088 Distribute overlap matrix (600.06044s) started
T01 >> 1462351763.41763306 blocked summation (568.88000s) started
T01 << 1462351764.56397891 blocked summation (570.02635s) stopped
T01 >> 1462351764.56591511 Scalapack redistribute (30.36747s) started
T01 << 1462351764.62603998 Scalapack redistribute (30.42760s) stopped
T01 << 1462351764.62611699 Distribute overlap matrix (601.26895s) stopped
T01 >> 1462351764.62669897 Blacs Orbital Layouts (1427.45387s) started
T01 >> 1462351764.62853289 General diagonalize (1398.90370s) started
T01 << 1462351767.35129309 General diagonalize (1401.62646s) stopped
T01 >> 1462351767.35136104 Redistribute coefs (1.54319s) started
T01 << 1462351767.35405707 Redistribute coefs (1.54589s) stopped
T01 >> 1462351767.35414505 Send coefs to domains (26.21840s) started
T01 << 1462351767.40380502 Send coefs to domains (26.26806s) stopped
T01 << 1462351767.40425897 Blacs Orbital Layouts (1430.23143s) stopped
T01 >> 1462351767.40431190 Calculate projections (1308.27030s) started
T01 << 1462351769.86916709 Calculate projections (1310.73515s) stopped
T01 << 1462351769.86944389 LCAO eigensolver (4169.15556s) stopped
T01 >> 1462351769.87016201 Density (1019.44765s) started
T01 >> 1462351769.87017488 Pseudo density (842.88008s) started
T01 >> 1462351769.87062407 Calculate density matrix (757.49630s) started
T01 << 1462351771.49530506 Calculate density matrix (759.12098s) stopped
T01 >> 1462351771.49540091 Construct density (84.19519s) started
T01 << 1462351771.67330003 Construct density (84.37309s) stopped
T01 >> 1462351771.67470598 Symmetrize density (0.02139s) started
T01 << 1462351771.67473888 Symmetrize density (0.02142s) stopped
T01 << 1462351771.67517900 Pseudo density (844.68509s) stopped
T01 >> 1462351771.67519903 Atomic density matrices (117.05057s) started
T01 << 1462351771.91950393 Atomic density matrices (117.29487s) stopped
T01 >> 1462351771.91954494 Multipole moments (1.89820s) started
T01 << 1462351771.92368889 Multipole moments (1.90234s) stopped
T01 >> 1462351771.92371202 Normalize (0.52396s) started
T01 << 1462351771.92475891 Normalize (0.52501s) stopped
T01 >> 1462351771.92479491 Mix (57.06243s) started
T01 << 1462351772.04581094 Mix (57.18345s) stopped
T01 << 1462351772.04592109 Density (1021.62341s) stopped
T01 >> 1462351772.04602790 Hamiltonian (11564.59687s) started
T01 >> 1462351772.04604793 vbar (6.88628s) started
T01 << 1462351772.06170702 vbar (6.90194s) stopped
T01 >> 1462351772.06180811 XC 3D grid (5016.74240s) started
T01 >> 1462351772.23857808 van der Waals (4842.02322s) started
T01 >> 1462351772.28105092 semilocal (1091.18622s) started
T01 << 1462351774.52295303 semilocal (1093.42813s) stopped
T01 >> 1462351774.55406904 redistribute (530.26427s) started
T01 << 1462351774.92611694 redistribute (530.63632s) stopped
T01 >> 1462351774.92618489 libvdwxc nonlocal (3183.48553s) started
T01 << 1462351781.60212302 libvdwxc nonlocal (3190.16147s) stopped
T01 >> 1462351781.60220790 redistribute (530.63636s) started
T01 << 1462351782.25616908 redistribute (531.29032s) stopped
T01 << 1462351782.25713205 van der Waals (4852.04177s) stopped
T01 << 1462351782.43580294 XC 3D grid (5027.11640s) stopped
T01 >> 1462351782.43586493 Poisson (1030.89156s) started
T01 << 1462351784.22746396 Poisson (1032.68316s) stopped
T01 >> 1462351784.22752905 Hartree integrate/restrict (39.75029s) started
T01 << 1462351784.24665594 Hartree integrate/restrict (39.76942s) stopped
T01 >> 1462351784.24675107 Hartree integrate/restrict (39.76949s) started
T01 << 1462351784.30829692 Hartree integrate/restrict (39.83104s) stopped
T01 >> 1462351784.33049512 Atomic (3101.36479s) started
T01 >> 1462351784.34085989 XC Correction (3094.99742s) started
T01 << 1462351790.63955402 XC Correction (3101.29612s) stopped
T01 << 1462351790.64261508 Atomic (3107.67691s) stopped
T01 >> 1462351790.64271307 Communicate (2358.54541s) started
T01 << 1462351795.69414711 Communicate (2363.59684s) stopped
T01 << 1462351795.69417596 Hamiltonian (11588.24502s) stopped
T01 >> 1462351795.69425011 LCAO eigensolver (4169.15558s) started
T01 >> 1462351795.69426298 Potential matrix (133.84272s) started
T01 << 1462351795.95669794 Potential matrix (134.10515s) stopped
T01 >> 1462351795.95676899 DistributedAtomicCorrection (692.63635s) started
T01 << 1462351797.29394197 DistributedAtomicCorrection (693.97353s) stopped
T01 >> 1462351797.29400110 Distribute overlap matrix (601.26896s) started
T01 >> 1462351797.29402399 blocked summation (570.02639s) started
T01 << 1462351798.44195795 blocked summation (571.17432s) stopped
T01 >> 1462351798.44367790 Scalapack redistribute (30.42763s) started
T01 << 1462351798.50164008 Scalapack redistribute (30.48559s) stopped
T01 << 1462351798.50172305 Distribute overlap matrix (602.47669s) stopped
T01 >> 1462351798.50236297 Blacs Orbital Layouts (1430.23145s) started
T01 >> 1462351798.50386500 General diagonalize (1401.62650s) started
T01 << 1462351801.20488501 General diagonalize (1404.32752s) stopped
T01 >> 1462351801.20495296 Redistribute coefs (1.54592s) started
T01 << 1462351801.20866895 Redistribute coefs (1.54964s) stopped
T01 >> 1462351801.20872307 Send coefs to domains (26.26811s) started
T01 << 1462351801.25823307 Send coefs to domains (26.31762s) stopped
T01 << 1462351801.25855589 Blacs Orbital Layouts (1432.98764s) stopped
T01 >> 1462351801.25860596 Calculate projections (1310.73521s) started
T01 << 1462351803.72370195 Calculate projections (1313.20030s) stopped
T01 << 1462351803.72398090 LCAO eigensolver (4177.18531s) stopped
T01 << 1462351803.72468090 SCF-cycle (16787.48576s) stopped
T01 >> 1462351804.66417694 Force calculation (885.46401s) started
T01 >> 1462351804.66423798 LCAO forces (553.37054s) started
T01 >> 1462351804.66459394 Initial (0.00067s) started
T01 << 1462351804.66460490 Initial (0.00068s) stopped
T01 >> 1462351804.66885304 Get density matrix (107.73650s) started
T01 << 1462351805.26453090 Get density matrix (108.33218s) stopped
T01 >> 1462351805.26459694 Potential (39.65408s) started
T01 << 1462351806.65565801 Potential (41.04514s) stopped
T01 >> 1462351806.65572190 Get density matrix (108.33221s) started
T01 << 1462351809.93275809 Get density matrix (111.60925s) stopped
T01 >> 1462351809.93287492 Prepare TCI loop (55.07305s) started
T01 >> 1462351809.93333292 Get neighbors (50.26376s) started
T01 << 1462351811.81731391 Get neighbors (52.14774s) stopped
T01 >> 1462351811.81753302 broadcast dH (4.78964s) started
T01 << 1462351811.82746601 broadcast dH (4.79957s) stopped
T01 << 1462351811.82751107 Prepare TCI loop (56.96768s) stopped
T01 >> 1462351811.82752895 Not so complicated loop (77.72091s) started
T01 << 1462351814.53327298 Not so complicated loop (80.42666s) stopped
T01 >> 1462351814.65842104 Complicated loop (269.29025s) started
T01 << 1462351824.17267203 Complicated loop (278.80451s) stopped
T01 >> 1462351824.19361401 Wait for sum (0.00160s) started
T01 << 1462351824.19366407 Wait for sum (0.00165s) stopped
T01 << 1462351824.19367790 LCAO forces (572.89998s) stopped
T01 << 1462351837.25820303 Force calculation (918.05804s) stopped
T01 >> 1462351837.27636695 Initialization (1497.08721s) started
T01 << 1462351837.27656102 Initialization (1497.08741s) stopped
T01 >> 1462351837.27686810 Initialization (1497.08743s) started
T01 << 1462351837.27700710 Initialization (1497.08757s) stopped
T01 >> 1462351837.27714896 Initialization (1497.08758s) started
T01 << 1462351837.27728105 Initialization (1497.08771s) stopped
T01 >> 1462351857.59653091 Initialization (1497.08773s) started
T01 >> 1462351857.69993496 Basic WFS set positions (2.88400s) started
T01 >> 1462351857.69995999 Redistribute (0.04727s) started
T01 << 1462351857.70521212 Redistribute (0.05253s) stopped
T01 << 1462351857.80070210 Basic WFS set positions (2.98477s) stopped
T01 >> 1462351857.80073190 Basis functions set positions (12.42960s) started
T01 << 1462351858.20368695 Basis functions set positions (12.83255s) stopped
T01 >> 1462351858.20452189 TCI: Calculate S, T, P (449.11785s) started
T01 << 1462351873.44031596 TCI: Calculate S, T, P (464.35364s) stopped
T01 >> 1462351873.44038796 blocked summation (117.86224s) started
T01 << 1462351877.22131491 blocked summation (121.64316s) stopped
T01 >> 1462351877.22304392 Scalapack redistribute (6.98307s) started
T01 << 1462351877.28013396 Scalapack redistribute (7.04016s) stopped
T01 >> 1462351877.28049588 blocked summation (121.64321s) started
T01 << 1462351877.44754410 blocked summation (121.81025s) stopped
T01 >> 1462351877.44920301 Scalapack redistribute (7.04022s) started
T01 << 1462351877.64852691 Scalapack redistribute (7.23955s) stopped
T01 >> 1462351877.64989996 Redistribute (0.05923s) started
T01 << 1462351877.65088391 Redistribute (0.06021s) stopped
T01 >> 1462351878.55094004 Redistribute (0.06023s) started
T01 << 1462351878.55202794 Redistribute (0.06132s) stopped
T01 >> 1462351878.56262994 LCAO WFS Initialize (876.06491s) started
T01 >> 1462351878.56266093 Density initialize from wavefunctions (35.20355s) started
T01 >> 1462351878.56308293 Calculate density matrix (20.44176s) started
T01 << 1462351879.26313901 Calculate density matrix (21.14182s) stopped
T01 >> 1462351879.26321006 Construct density (5.01186s) started
T01 << 1462351879.44169092 Construct density (5.19034s) stopped
T01 >> 1462351879.44335294 Symmetrize density (0.00124s) started
T01 << 1462351879.44338703 Symmetrize density (0.00128s) stopped
T01 << 1462351879.78413606 Density initialize from wavefunctions (36.42503s) stopped
T01 >> 1462351879.78465104 Hamiltonian (840.64920s) started
T01 >> 1462351879.78467798 vbar (0.43284s) started
T01 << 1462351879.80085111 vbar (0.44901s) stopped
T01 >> 1462351879.80094099 XC 3D grid (307.52176s) started
T01 >> 1462351879.96951890 van der Waals (296.82493s) started
T01 >> 1462351880.01197195 semilocal (66.51872s) started
T01 << 1462351882.22160006 semilocal (68.72835s) stopped
T01 >> 1462351882.25536203 redistribute (32.17777s) started
T01 << 1462351882.65851092 redistribute (32.58092s) stopped
T01 >> 1462351882.65856099 libvdwxc nonlocal (195.85684s) started
T01 << 1462351889.38404989 libvdwxc nonlocal (202.58233s) stopped
T01 >> 1462351889.38409996 redistribute (32.58096s) started
T01 << 1462351890.02770209 redistribute (33.22456s) stopped
T01 << 1462351890.02995896 van der Waals (306.88537s) stopped
T01 << 1462351890.19997692 XC 3D grid (317.92080s) stopped
T01 >> 1462351890.20003510 Poisson (142.40152s) started
T01 << 1462351894.92506695 Poisson (147.12656s) stopped
T01 >> 1462351894.92518210 Hartree integrate/restrict (2.40548s) started
T01 << 1462351894.94419193 Hartree integrate/restrict (2.42449s) stopped
T01 >> 1462351894.94431496 Hartree integrate/restrict (2.42457s) started
T01 << 1462351895.00521708 Hartree integrate/restrict (2.48547s) stopped
T01 >> 1462351895.02590489 Atomic (200.62206s) started
T01 >> 1462351895.03611708 XC Correction (200.22276s) started
T01 << 1462351901.37474990 XC Correction (206.56140s) stopped
T01 << 1462351901.37779689 Atomic (206.97395s) stopped
T01 >> 1462351901.37800908 Communicate (186.60751s) started
T01 << 1462351908.33874202 Communicate (193.56824s) stopped
T01 << 1462351908.33877206 Hamiltonian (869.20332s) stopped
T01 << 1462351908.33882594 LCAO WFS Initialize (905.84111s) stopped
T01 << 1462351908.35124111 Initialization (1547.84244s) stopped
T01 >> 1462351908.37637210 SCF-cycle (16787.48577s) started
T01 >> 1462351908.37641406 LCAO eigensolver (4177.18533s) started
T01 >> 1462351908.37642694 Potential matrix (134.10519s) started
T01 << 1462351908.63926911 Potential matrix (134.36803s) stopped
T01 >> 1462351908.63934708 DistributedAtomicCorrection (693.97357s) started
T01 << 1462351909.95268512 DistributedAtomicCorrection (695.28690s) stopped
T01 >> 1462351909.95274305 Distribute overlap matrix (602.47670s) started
T01 >> 1462351909.95276594 blocked summation (571.17436s) started
T01 << 1462351911.16239095 blocked summation (572.38399s) stopped
T01 >> 1462351911.16382694 Scalapack redistribute (30.48563s) started
T01 << 1462351911.22221208 Scalapack redistribute (30.54402s) stopped
T01 << 1462351911.22229290 Distribute overlap matrix (603.74625s) stopped
T01 >> 1462351911.22286797 Blacs Orbital Layouts (1432.98766s) started
T01 >> 1462351911.22405291 General diagonalize (1404.32755s) started
T01 << 1462351913.93988800 General diagonalize (1407.04339s) stopped
T01 >> 1462351913.93993998 Redistribute coefs (1.54968s) started
T01 << 1462351913.94273806 Redistribute coefs (1.55248s) stopped
T01 >> 1462351913.94278312 Send coefs to domains (26.31766s) started
T01 << 1462351913.99253011 Send coefs to domains (26.36741s) stopped
T01 << 1462351913.99258590 Blacs Orbital Layouts (1435.75738s) stopped
T01 >> 1462351913.99261594 Calculate projections (1313.20036s) started
T01 << 1462351916.43537092 Calculate projections (1315.64311s) stopped
T01 << 1462351916.43545294 LCAO eigensolver (4185.24437s) stopped
T01 >> 1462351916.43611503 Density (1021.62342s) started
T01 >> 1462351916.43612790 Pseudo density (844.68510s) started
T01 >> 1462351916.43657708 Calculate density matrix (759.12102s) started
T01 << 1462351918.08593988 Calculate density matrix (760.77039s) stopped
T01 >> 1462351918.08600807 Construct density (84.37312s) started
T01 << 1462351918.26453900 Construct density (84.55166s) stopped
T01 >> 1462351918.26597500 Symmetrize density (0.02143s) started
T01 << 1462351918.26600790 Symmetrize density (0.02147s) stopped
T01 << 1462351918.26644993 Pseudo density (846.51542s) stopped
T01 >> 1462351918.26646900 Atomic density matrices (117.29490s) started
T01 << 1462351918.51125097 Atomic density matrices (117.53968s) stopped
T01 >> 1462351918.51129103 Multipole moments (1.90236s) started
T01 << 1462351918.51517010 Multipole moments (1.90624s) stopped
T01 >> 1462351918.51519203 Normalize (0.52504s) started
T01 << 1462351918.51633191 Normalize (0.52618s) stopped
T01 >> 1462351918.51636791 Mix (57.18355s) started
T01 << 1462351918.62144899 Mix (57.28864s) stopped
T01 << 1462351918.62154889 Density (1023.80886s) stopped
T01 >> 1462351918.62164211 Hamiltonian (11588.24503s) started
T01 >> 1462351918.62166405 vbar (6.90200s) started
T01 << 1462351918.63754797 vbar (6.91788s) stopped
T01 >> 1462351918.63761997 XC 3D grid (5027.11645s) started
T01 >> 1462351918.81117201 van der Waals (4852.04184s) started
T01 >> 1462351918.85422897 semilocal (1093.42818s) started
T01 << 1462351921.08557796 semilocal (1095.65953s) stopped
T01 >> 1462351921.11849403 redistribute (531.29037s) started
T01 << 1462351921.49380398 redistribute (531.66568s) stopped
T01 >> 1462351921.49387002 libvdwxc nonlocal (3190.16153s) started
T01 << 1462351928.18195891 libvdwxc nonlocal (3196.84962s) stopped
T01 >> 1462351928.18201900 redistribute (531.66572s) started
T01 << 1462351928.82985997 redistribute (532.31356s) stopped
T01 << 1462351928.83133411 van der Waals (4862.06200s) stopped
T01 << 1462351929.01380610 XC 3D grid (5037.49263s) stopped
T01 >> 1462351929.01385403 Poisson (1032.68321s) started
T01 << 1462351931.39098310 Poisson (1035.06033s) stopped
T01 >> 1462351931.39104891 Hartree integrate/restrict (39.83107s) started
T01 << 1462351931.41051006 Hartree integrate/restrict (39.85053s) stopped
T01 >> 1462351931.41055608 Hartree integrate/restrict (39.85056s) started
T01 << 1462351931.47205400 Hartree integrate/restrict (39.91206s) stopped
T01 >> 1462351931.49394798 Atomic (3107.67693s) started
T01 >> 1462351931.50381708 XC Correction (3101.29614s) started
T01 << 1462351937.82662201 XC Correction (3107.61895s) stopped
T01 << 1462351937.82959604 Atomic (3114.01258s) stopped
T01 >> 1462351937.82970405 Communicate (2363.59686s) started
T01 << 1462351944.71851110 Communicate (2370.48567s) stopped
T01 << 1462351944.71853900 Hamiltonian (11614.34193s) stopped
T01 >> 1462351944.71861196 LCAO eigensolver (4185.24438s) started
T01 >> 1462351944.71862602 Potential matrix (134.36807s) started
T01 << 1462351944.98342395 Potential matrix (134.63287s) stopped
T01 >> 1462351944.98349810 DistributedAtomicCorrection (695.28694s) started
T01 << 1462351946.29008889 DistributedAtomicCorrection (696.59353s) stopped
T01 >> 1462351946.29014707 Distribute overlap matrix (603.74626s) started
T01 >> 1462351946.29016805 blocked summation (572.38403s) started
T01 << 1462351947.51218510 blocked summation (573.60605s) stopped
T01 >> 1462351947.51361108 Scalapack redistribute (30.54405s) started
T01 << 1462351947.57204294 Scalapack redistribute (30.60249s) stopped
T01 << 1462351947.57212090 Distribute overlap matrix (605.02823s) stopped
T01 >> 1462351947.57268810 Blacs Orbital Layouts (1435.75739s) started
T01 >> 1462351947.57386208 General diagonalize (1407.04343s) started
T01 << 1462351950.28222108 General diagonalize (1409.75179s) stopped
T01 >> 1462351950.28228688 Redistribute coefs (1.55252s) started
T01 << 1462351950.28505707 Redistribute coefs (1.55529s) stopped
T01 >> 1462351950.28513908 Send coefs to domains (26.36745s) started
T01 << 1462351950.33472991 Send coefs to domains (26.41704s) stopped
T01 << 1462351950.33478308 Blacs Orbital Layouts (1438.51949s) stopped
T01 >> 1462351950.33483410 Calculate projections (1315.64317s) started
T01 << 1462351952.77770710 Calculate projections (1318.08604s) stopped
T01 << 1462351952.77778602 LCAO eigensolver (4193.30356s) stopped
T01 >> 1462351952.77841401 Density (1023.80888s) started
T01 >> 1462351952.77842689 Pseudo density (846.51544s) started
T01 >> 1462351952.77888799 Calculate density matrix (760.77043s) started
T01 << 1462351954.43149996 Calculate density matrix (762.42304s) stopped
T01 >> 1462351954.43157005 Construct density (84.55169s) started
T01 << 1462351954.60955501 Construct density (84.72967s) stopped
T01 >> 1462351954.61099911 Symmetrize density (0.02148s) started
T01 << 1462351954.61103392 Symmetrize density (0.02151s) stopped
T01 << 1462351954.61146808 Pseudo density (848.34848s) stopped
T01 >> 1462351954.61148596 Atomic density matrices (117.53971s) started
T01 << 1462351954.85827494 Atomic density matrices (117.78650s) stopped
T01 >> 1462351954.85831594 Multipole moments (1.90625s) started
T01 << 1462351954.86220908 Multipole moments (1.91015s) stopped
T01 >> 1462351954.86223197 Normalize (0.52620s) started
T01 << 1462351954.86338305 Normalize (0.52735s) stopped
T01 >> 1462351954.86341596 Mix (57.28873s) started
T01 << 1462351954.97038507 Mix (57.39570s) stopped
T01 << 1462351954.97054410 Density (1026.00101s) stopped
T01 >> 1462351954.97064090 Hamiltonian (11614.34194s) started
T01 >> 1462351954.97066593 vbar (6.91792s) started
T01 << 1462351954.98718691 vbar (6.93444s) stopped
T01 >> 1462351954.98731303 XC 3D grid (5037.49267s) started
T01 >> 1462351955.16728306 van der Waals (4862.06204s) started
T01 >> 1462351955.21052098 semilocal (1095.65960s) started
T01 << 1462351957.43343997 semilocal (1097.88252s) stopped
T01 >> 1462351957.46356392 redistribute (532.31360s) started
T01 << 1462351957.83220911 redistribute (532.68225s) stopped
T01 >> 1462351957.83227491 libvdwxc nonlocal (3196.84965s) started
T01 << 1462351964.52759695 libvdwxc nonlocal (3203.54497s) stopped
T01 >> 1462351964.52771401 redistribute (532.68228s) started
T01 << 1462351965.17573500 redistribute (533.33031s) stopped
T01 << 1462351965.17691207 van der Waals (4872.07167s) stopped
T01 << 1462351965.36020303 XC 3D grid (5047.86556s) stopped
T01 >> 1462351965.36025310 Poisson (1035.06038s) started
T01 << 1462351967.15494108 Poisson (1036.85507s) stopped
T01 >> 1462351967.15503097 Hartree integrate/restrict (39.91209s) started
T01 << 1462351967.17417598 Hartree integrate/restrict (39.93124s) stopped
T01 >> 1462351967.17425203 Hartree integrate/restrict (39.93129s) started
T01 << 1462351967.24259090 Hartree integrate/restrict (39.99963s) stopped
T01 >> 1462351967.25986910 Atomic (3114.01259s) started
T01 >> 1462351967.26968002 XC Correction (3107.61897s) started
T01 << 1462351973.25917411 XC Correction (3113.60847s) stopped
T01 << 1462351973.26213694 Atomic (3120.01486s) stopped
T01 >> 1462351973.26223898 Communicate (2370.48569s) started
T01 << 1462351979.72180605 Communicate (2376.94526s) stopped
T01 << 1462351979.72183490 Hamiltonian (11639.09314s) stopped
T01 >> 1462351979.72190690 LCAO eigensolver (4193.30357s) started
T01 >> 1462351979.72192001 Potential matrix (134.63291s) started
T01 << 1462351979.98773098 Potential matrix (134.89872s) stopped
T01 >> 1462351979.98780298 DistributedAtomicCorrection (696.59357s) started
T01 << 1462351981.29676604 DistributedAtomicCorrection (697.90253s) stopped
T01 >> 1462351981.29682302 Distribute overlap matrix (605.02825s) started
T01 >> 1462351981.29684496 blocked summation (573.60608s) started
T01 << 1462351982.50256491 blocked summation (574.81180s) stopped
T01 >> 1462351982.50399089 Scalapack redistribute (30.60252s) started
T01 << 1462351982.56226611 Scalapack redistribute (30.66079s) stopped
T01 << 1462351982.56234598 Distribute overlap matrix (606.29377s) stopped
T01 >> 1462351982.56292200 Blacs Orbital Layouts (1438.51950s) started
T01 >> 1462351982.56391692 General diagonalize (1409.75183s) started
T01 << 1462351985.26736093 General diagonalize (1412.45527s) stopped
T01 >> 1462351985.26742601 Redistribute coefs (1.55532s) started
T01 << 1462351985.27023196 Redistribute coefs (1.55813s) stopped
T01 >> 1462351985.27031302 Send coefs to domains (26.41708s) started
T01 << 1462351985.31999207 Send coefs to domains (26.46676s) stopped
T01 << 1462351985.32004499 Blacs Orbital Layouts (1441.27662s) stopped
T01 >> 1462351985.32009912 Calculate projections (1318.08610s) started
T01 << 1462351987.76281905 Calculate projections (1320.52882s) stopped
T01 << 1462351987.76289797 LCAO eigensolver (4201.34456s) stopped
T01 >> 1462351987.76361299 Density (1026.00103s) started
T01 >> 1462351987.76362610 Pseudo density (848.34849s) started
T01 >> 1462351987.76408005 Calculate density matrix (762.42308s) started
T01 << 1462351989.41485810 Calculate density matrix (764.07386s) stopped
T01 >> 1462351989.41494703 Construct density (84.72971s) started
T01 << 1462351989.59291291 Construct density (84.90767s) stopped
T01 >> 1462351989.59435892 Symmetrize density (0.02152s) started
T01 << 1462351989.59439301 Symmetrize density (0.02156s) stopped
T01 << 1462351989.59483910 Pseudo density (850.17970s) stopped
T01 >> 1462351989.59485888 Atomic density matrices (117.78653s) started
T01 << 1462351989.84136009 Atomic density matrices (118.03303s) stopped
T01 >> 1462351989.84140110 Multipole moments (1.91016s) started
T01 << 1462351989.84529209 Multipole moments (1.91405s) stopped
T01 >> 1462351989.84531403 Normalize (0.52737s) started
T01 << 1462351989.84644604 Normalize (0.52851s) stopped
T01 >> 1462351989.84648299 Mix (57.39585s) started
T01 << 1462351989.95816803 Mix (57.50754s) stopped
T01 << 1462351989.95827198 Density (1028.19569s) stopped
T01 >> 1462351989.95837092 Hamiltonian (11639.09315s) started
T01 >> 1462351989.95839095 vbar (6.93451s) started
T01 << 1462351989.97450209 vbar (6.95063s) stopped
T01 >> 1462351989.97459197 XC 3D grid (5047.86560s) started
T01 >> 1462351990.15135407 van der Waals (4872.07171s) started
T01 >> 1462351990.19388294 semilocal (1097.88258s) started
T01 << 1462351992.41798091 semilocal (1100.10668s) stopped
T01 >> 1462351992.44931412 redistribute (533.33035s) started
T01 << 1462351992.82523894 redistribute (533.70628s) stopped
T01 >> 1462351992.82530403 libvdwxc nonlocal (3203.54506s) started
T01 << 1462351999.52803898 libvdwxc nonlocal (3210.24780s) stopped
T01 >> 1462351999.52812099 redistribute (533.70631s) started
T01 << 1462352000.17398190 redistribute (534.35218s) stopped
T01 << 1462352000.17515612 van der Waals (4882.09551s) stopped
T01 << 1462352000.35447788 XC 3D grid (5058.24548s) stopped
T01 >> 1462352000.35453796 Poisson (1036.85514s) started
T01 << 1462352002.73752999 Poisson (1039.23813s) stopped
T01 >> 1462352002.73765397 Hartree integrate/restrict (39.99966s) started
T01 << 1462352002.75664496 Hartree integrate/restrict (40.01865s) stopped
T01 >> 1462352002.75674391 Hartree integrate/restrict (40.01872s) started
T01 << 1462352002.82294703 Hartree integrate/restrict (40.08492s) stopped
T01 >> 1462352002.84159303 Atomic (3120.01488s) started
T01 >> 1462352002.85138297 XC Correction (3113.60849s) started
T01 << 1462352008.83147693 XC Correction (3119.58859s) stopped
T01 << 1462352008.83444595 Atomic (3126.00773s) stopped
T01 >> 1462352008.83454895 Communicate (2376.94527s) started
T01 << 1462352014.64896297 Communicate (2382.75969s) stopped
T01 << 1462352014.64899206 Hamiltonian (11663.78377s) stopped
T01 >> 1462352014.64906597 LCAO eigensolver (4201.34457s) started
T01 >> 1462352014.64908004 Potential matrix (134.89876s) started
T01 << 1462352014.91235089 Potential matrix (135.16203s) stopped
T01 >> 1462352014.91242504 DistributedAtomicCorrection (697.90257s) started
T01 << 1462352016.22260809 DistributedAtomicCorrection (699.21275s) stopped
T01 >> 1462352016.22266889 Distribute overlap matrix (606.29378s) started
T01 >> 1462352016.22269201 blocked summation (574.81184s) started
T01 << 1462352017.43638802 blocked summation (576.02554s) stopped
T01 >> 1462352017.43779707 Scalapack redistribute (30.66083s) started
T01 << 1462352017.49543095 Scalapack redistribute (30.71846s) stopped
T01 << 1462352017.49551010 Distribute overlap matrix (607.56662s) stopped
T01 >> 1462352017.49607491 Blacs Orbital Layouts (1441.27663s) started
T01 >> 1462352017.49712205 General diagonalize (1412.45531s) started
T01 << 1462352020.25023007 General diagonalize (1415.20842s) stopped
T01 >> 1462352020.25029397 Redistribute coefs (1.55816s) started
T01 << 1462352020.25403190 Redistribute coefs (1.56190s) stopped
T01 >> 1462352020.25408006 Send coefs to domains (26.46680s) started
T01 << 1462352020.30288291 Send coefs to domains (26.51561s) stopped
T01 << 1462352020.30293703 Blacs Orbital Layouts (1444.08349s) stopped
T01 >> 1462352020.30298710 Calculate projections (1320.52887s) started
T01 << 1462352022.74583602 Calculate projections (1322.97172s) stopped
T01 << 1462352022.74591804 LCAO eigensolver (4209.44143s) stopped
T01 >> 1462352022.74665499 Density (1028.19571s) started
T01 >> 1462352022.74666810 Pseudo density (850.17972s) started
T01 >> 1462352022.74711490 Calculate density matrix (764.07390s) started
T01 << 1462352024.40288496 Calculate density matrix (765.72967s) stopped
T01 >> 1462352024.40297699 Construct density (84.90771s) started
T01 << 1462352024.58147693 Construct density (85.08621s) stopped
T01 >> 1462352024.58291411 Symmetrize density (0.02157s) started
T01 << 1462352024.58294797 Symmetrize density (0.02160s) stopped
T01 << 1462352024.58341193 Pseudo density (852.01646s) stopped
T01 >> 1462352024.58343196 Atomic density matrices (118.03306s) started
T01 << 1462352024.82859802 Atomic density matrices (118.27822s) stopped
T01 >> 1462352024.82863903 Multipole moments (1.91407s) started
T01 << 1462352024.83250904 Multipole moments (1.91794s) stopped
T01 >> 1462352024.83253193 Normalize (0.52853s) started
T01 << 1462352024.83367991 Normalize (0.52968s) stopped
T01 >> 1462352024.83371401 Mix (57.50764s) started
T01 << 1462352024.94787502 Mix (57.62180s) stopped
T01 << 1462352024.94797993 Density (1030.39703s) stopped
T01 >> 1462352024.94807196 Hamiltonian (11663.78378s) started
T01 >> 1462352024.94809103 vbar (6.95068s) started
T01 << 1462352024.96450496 vbar (6.96709s) stopped
T01 >> 1462352024.96459198 XC 3D grid (5058.24553s) started
T01 >> 1462352025.14221096 van der Waals (4882.09555s) started
T01 >> 1462352025.18514609 semilocal (1100.10677s) started
T01 << 1462352027.41343093 semilocal (1102.33506s) stopped
T01 >> 1462352027.44442797 redistribute (534.35222s) started
T01 << 1462352027.82303309 redistribute (534.73082s) stopped
T01 >> 1462352027.82309890 libvdwxc nonlocal (3210.24785s) started
T01 << 1462352034.51452303 libvdwxc nonlocal (3216.93928s) stopped
T01 >> 1462352034.51461005 redistribute (534.73086s) started
T01 << 1462352035.16226292 redistribute (535.37851s) stopped
T01 << 1462352035.16337800 van der Waals (4892.11672s) stopped
T01 << 1462352035.34315300 XC 3D grid (5068.62409s) stopped
T01 >> 1462352035.34319997 Poisson (1039.23823s) started
T01 << 1462352037.72978902 Poisson (1041.62482s) stopped
T01 >> 1462352037.72986293 Hartree integrate/restrict (40.08497s) started
T01 << 1462352037.74898291 Hartree integrate/restrict (40.10409s) stopped
T01 >> 1462352037.74904895 Hartree integrate/restrict (40.10414s) started
T01 << 1462352037.81033301 Hartree integrate/restrict (40.16542s) stopped
T01 >> 1462352037.83335900 Atomic (3126.00775s) started
T01 >> 1462352037.84320593 XC Correction (3119.58861s) started
T01 << 1462352043.87910295 XC Correction (3125.62451s) stopped
T01 << 1462352043.88206601 Atomic (3132.05646s) stopped
T01 >> 1462352043.88217092 Communicate (2382.75971s) started
T01 << 1462352049.10361505 Communicate (2387.98115s) stopped
T01 << 1462352049.10364699 Hamiltonian (11687.93936s) stopped
T01 >> 1462352049.10372090 LCAO eigensolver (4209.44144s) started
T01 >> 1462352049.10373497 Potential matrix (135.16207s) started
T01 << 1462352049.36862206 Potential matrix (135.42696s) stopped
T01 >> 1462352049.36870003 DistributedAtomicCorrection (699.21279s) started
T01 << 1462352050.68080211 DistributedAtomicCorrection (700.52490s) stopped
T01 >> 1462352050.68085909 Distribute overlap matrix (607.56664s) started
T01 >> 1462352050.68088102 blocked summation (576.02558s) started
T01 << 1462352051.86914110 blocked summation (577.21384s) stopped
T01 >> 1462352051.87057400 Scalapack redistribute (30.71850s) started
T01 << 1462352051.93067002 Scalapack redistribute (30.77859s) stopped
T01 << 1462352051.93075299 Distribute overlap matrix (608.81653s) stopped
T01 >> 1462352051.93131495 Blacs Orbital Layouts (1444.08350s) started
T01 >> 1462352051.93246198 General diagonalize (1415.20846s) started
T01 << 1462352054.65867305 General diagonalize (1417.93467s) stopped
T01 >> 1462352054.65873909 Redistribute coefs (1.56194s) started
T01 << 1462352054.66245103 Redistribute coefs (1.56565s) stopped
T01 >> 1462352054.66249704 Send coefs to domains (26.51565s) started
T01 << 1462352054.71212101 Send coefs to domains (26.56527s) stopped
T01 << 1462352054.71246290 Blacs Orbital Layouts (1446.86465s) stopped
T01 >> 1462352054.71251297 Calculate projections (1322.97178s) started
T01 << 1462352057.15529799 Calculate projections (1325.41456s) stopped
T01 << 1462352057.15537810 LCAO eigensolver (4217.49310s) stopped
T01 >> 1462352057.15610194 Density (1030.39705s) started
T01 >> 1462352057.15611506 Pseudo density (852.01648s) started
T01 >> 1462352057.15656495 Calculate density matrix (765.72971s) started
T01 << 1462352058.81622601 Calculate density matrix (767.38938s) stopped
T01 >> 1462352058.81631589 Construct density (85.08624s) started
T01 << 1462352058.99428511 Construct density (85.26421s) stopped
T01 >> 1462352058.99572110 Symmetrize density (0.02165s) started
T01 << 1462352058.99575496 Symmetrize density (0.02168s) stopped
T01 << 1462352058.99619007 Pseudo density (853.85655s) stopped
T01 >> 1462352058.99621010 Atomic density matrices (118.27825s) started
T01 << 1462352059.24217606 Atomic density matrices (118.52422s) stopped
T01 >> 1462352059.24221611 Multipole moments (1.91795s) started
T01 << 1462352059.24608302 Multipole moments (1.92182s) stopped
T01 >> 1462352059.24610496 Normalize (0.52971s) started
T01 << 1462352059.24724197 Normalize (0.53084s) stopped
T01 >> 1462352059.24727702 Mix (57.62190s) started
T01 << 1462352059.36839104 Mix (57.74301s) stopped
T01 << 1462352059.36850309 Density (1032.60945s) stopped
T01 >> 1462352059.36860108 Hamiltonian (11687.93937s) started
T01 >> 1462352059.36861992 vbar (6.96714s) started
T01 << 1462352059.38491297 vbar (6.98344s) stopped
T01 >> 1462352059.38502789 XC 3D grid (5068.62413s) started
T01 >> 1462352059.56159711 van der Waals (4892.11676s) started
T01 >> 1462352059.60473704 semilocal (1102.33511s) started
T01 << 1462352061.83224297 semilocal (1104.56262s) stopped
T01 >> 1462352061.86237311 redistribute (535.37855s) started
T01 << 1462352062.23792291 redistribute (535.75410s) stopped
T01 >> 1462352062.23798990 libvdwxc nonlocal (3216.93934s) started
T01 << 1462352068.91682792 libvdwxc nonlocal (3223.61818s) stopped
T01 >> 1462352068.91691208 redistribute (535.75414s) started
T01 << 1462352069.58188510 redistribute (536.41912s) stopped
T01 << 1462352069.58324003 van der Waals (4902.13840s) stopped
T01 << 1462352069.75976801 XC 3D grid (5078.99887s) stopped
T01 >> 1462352069.75982904 Poisson (1041.62487s) started
T01 << 1462352072.14986610 Poisson (1044.01491s) stopped
T01 >> 1462352072.14993095 Hartree integrate/restrict (40.16546s) started
T01 << 1462352072.16907001 Hartree integrate/restrict (40.18459s) stopped
T01 >> 1462352072.16912889 Hartree integrate/restrict (40.18463s) started
T01 << 1462352072.23190594 Hartree integrate/restrict (40.24741s) stopped
T01 >> 1462352072.25439310 Atomic (3132.05647s) started
T01 >> 1462352072.26438689 XC Correction (3125.62453s) started
T01 << 1462352078.34316993 XC Correction (3131.70331s) stopped
T01 << 1462352078.34616995 Atomic (3138.14825s) stopped
T01 >> 1462352078.34627509 Communicate (2387.98117s) started
T01 << 1462352083.50186205 Communicate (2393.13676s) stopped
T01 << 1462352083.50188899 Hamiltonian (11712.07266s) stopped
T01 >> 1462352083.50196004 LCAO eigensolver (4217.49311s) started
T01 >> 1462352083.50197411 Potential matrix (135.42700s) started
T01 << 1462352083.76725602 Potential matrix (135.69228s) stopped
T01 >> 1462352083.76732802 DistributedAtomicCorrection (700.52493s) started
T01 << 1462352085.09950709 DistributedAtomicCorrection (701.85711s) stopped
T01 >> 1462352085.09956288 Distribute overlap matrix (608.81654s) started
T01 >> 1462352085.09958410 blocked summation (577.21388s) started
T01 << 1462352086.26422691 blocked summation (578.37852s) stopped
T01 >> 1462352086.26592207 Scalapack redistribute (30.77863s) started
T01 << 1462352086.32692194 Scalapack redistribute (30.83963s) stopped
T01 << 1462352086.32700801 Distribute overlap matrix (610.04399s) stopped
T01 >> 1462352086.32758999 Blacs Orbital Layouts (1446.86467s) started
T01 >> 1462352086.32874298 General diagonalize (1417.93471s) started
T01 << 1462352089.04745507 General diagonalize (1420.65342s) stopped
T01 >> 1462352089.04752207 Redistribute coefs (1.56568s) started
T01 << 1462352089.05118299 Redistribute coefs (1.56934s) stopped
T01 >> 1462352089.05122995 Send coefs to domains (26.56532s) started
T01 << 1462352089.10002303 Send coefs to domains (26.61411s) stopped
T01 << 1462352089.10033011 Blacs Orbital Layouts (1449.63741s) stopped
T01 >> 1462352089.10038400 Calculate projections (1325.41461s) started
T01 << 1462352091.54299998 Calculate projections (1327.85723s) stopped
T01 << 1462352091.54330707 LCAO eigensolver (4225.53446s) stopped
T01 >> 1462352091.54402804 Density (1032.60947s) started
T01 >> 1462352091.54403996 Pseudo density (853.85656s) started
T01 >> 1462352091.54448700 Calculate density matrix (767.38942s) started
T01 << 1462352093.20352006 Calculate density matrix (769.04845s) stopped
T01 >> 1462352093.20361900 Construct density (85.26424s) started
T01 << 1462352093.38149190 Construct density (85.44212s) stopped
T01 >> 1462352093.38382196 Symmetrize density (0.02169s) started
T01 << 1462352093.38385606 Symmetrize density (0.02173s) stopped
T01 << 1462352093.38428903 Pseudo density (855.69681s) stopped
T01 >> 1462352093.38430810 Atomic density matrices (118.52424s) started
T01 << 1462352093.62976789 Atomic density matrices (118.76970s) stopped
T01 >> 1462352093.62980795 Multipole moments (1.92183s) started
T01 << 1462352093.63365889 Multipole moments (1.92568s) stopped
T01 >> 1462352093.63368106 Normalize (0.53087s) started
T01 << 1462352093.63481903 Normalize (0.53201s) stopped
T01 >> 1462352093.63485289 Mix (57.74312s) started
T01 << 1462352093.75426602 Mix (57.86253s) stopped
T01 << 1462352093.75437903 Density (1034.81982s) stopped
T01 >> 1462352093.75447607 Hamiltonian (11712.07267s) started
T01 >> 1462352093.75449491 vbar (6.98350s) started
T01 << 1462352093.77076888 vbar (6.99977s) stopped
T01 >> 1462352093.77085304 XC 3D grid (5078.99892s) started
T01 >> 1462352093.94499207 van der Waals (4902.13845s) started
T01 >> 1462352093.98793292 semilocal (1104.56275s) started
T01 << 1462352096.22917700 semilocal (1106.80400s) stopped
T01 >> 1462352096.25965595 redistribute (536.41922s) started
T01 << 1462352096.63046193 redistribute (536.79003s) stopped
T01 >> 1462352096.63053012 libvdwxc nonlocal (3223.61823s) started
T01 << 1462352103.33912992 libvdwxc nonlocal (3230.32683s) stopped
T01 >> 1462352103.33919811 redistribute (536.79007s) started
T01 << 1462352104.00078702 redistribute (537.45165s) stopped
T01 << 1462352104.00200605 van der Waals (4912.19546s) stopped
T01 << 1462352104.17804408 XC 3D grid (5089.40611s) stopped
T01 >> 1462352104.17809296 Poisson (1044.01495s) started
T01 << 1462352106.56636906 Poisson (1046.40323s) stopped
T01 >> 1462352106.56645393 Hartree integrate/restrict (40.24744s) started
T01 << 1462352106.58525801 Hartree integrate/restrict (40.26625s) stopped
T01 >> 1462352106.58530211 Hartree integrate/restrict (40.26628s) started
T01 << 1462352106.64731407 Hartree integrate/restrict (40.32829s) stopped
T01 >> 1462352106.67042708 Atomic (3138.14827s) started
T01 >> 1462352106.68052101 XC Correction (3131.70334s) started
T01 << 1462352112.84177089 XC Correction (3137.86459s) stopped
T01 << 1462352112.84480190 Atomic (3144.32264s) stopped
T01 >> 1462352112.84490299 Communicate (2393.13678s) started
T01 << 1462352117.99703789 Communicate (2398.28891s) stopped
T01 << 1462352117.99706697 Hamiltonian (11736.31527s) stopped
T01 >> 1462352117.99713898 LCAO eigensolver (4225.53448s) started
T01 >> 1462352117.99715209 Potential matrix (135.69232s) started
T01 << 1462352118.26129603 Potential matrix (135.95646s) stopped
T01 >> 1462352118.26136804 DistributedAtomicCorrection (701.85715s) started
T01 << 1462352119.58895397 DistributedAtomicCorrection (703.18473s) stopped
T01 >> 1462352119.58901191 Distribute overlap matrix (610.04400s) started
T01 >> 1462352119.58903599 blocked summation (578.37856s) started
T01 << 1462352120.75780702 blocked summation (579.54733s) stopped
T01 >> 1462352120.75984097 Scalapack redistribute (30.83967s) started
T01 << 1462352120.81704807 Scalapack redistribute (30.89688s) stopped
T01 << 1462352120.81713295 Distribute overlap matrix (611.27212s) stopped
T01 >> 1462352120.81772494 Blacs Orbital Layouts (1449.63743s) started
T01 >> 1462352120.81887102 General diagonalize (1420.65346s) started
T01 << 1462352123.55415106 General diagonalize (1423.38874s) stopped
T01 >> 1462352123.55421591 Redistribute coefs (1.56938s) started
T01 << 1462352123.55752397 Redistribute coefs (1.57269s) stopped
T01 >> 1462352123.55757308 Send coefs to domains (26.61415s) started
T01 << 1462352123.60679412 Send coefs to domains (26.66337s) stopped
T01 << 1462352123.60709095 Blacs Orbital Layouts (1452.42679s) stopped
T01 >> 1462352123.60715008 Calculate projections (1327.85732s) started
T01 << 1462352126.04997396 Calculate projections (1330.30014s) stopped
T01 << 1462352126.05038309 LCAO eigensolver (4233.58772s) stopped
T01 >> 1462352126.05110693 Density (1034.81984s) started
T01 >> 1462352126.05112004 Pseudo density (855.69683s) started
T01 >> 1462352126.05156493 Calculate density matrix (769.04850s) started
T01 << 1462352127.70827889 Calculate density matrix (770.70521s) stopped
T01 >> 1462352127.70837808 Construct density (85.44215s) started
T01 << 1462352127.88689590 Construct density (85.62067s) stopped
T01 >> 1462352127.88831997 Symmetrize density (0.02174s) started
T01 << 1462352127.88835311 Symmetrize density (0.02177s) stopped
T01 << 1462352127.88879800 Pseudo density (857.53451s) stopped
T01 >> 1462352127.88881803 Atomic density matrices (118.76973s) started
T01 << 1462352128.13344312 Atomic density matrices (119.01436s) stopped
T01 >> 1462352128.13348293 Multipole moments (1.92570s) started
T01 << 1462352128.13732100 Multipole moments (1.92954s) stopped
T01 >> 1462352128.13734293 Normalize (0.53203s) started
T01 << 1462352128.13847303 Normalize (0.53316s) stopped
T01 >> 1462352128.13850808 Mix (57.86264s) started
T01 << 1462352128.25851488 Mix (57.98265s) stopped
T01 << 1462352128.25861812 Density (1037.02735s) stopped
T01 >> 1462352128.25871205 Hamiltonian (11736.31528s) started
T01 >> 1462352128.25873303 vbar (6.99982s) started
T01 << 1462352128.27454495 vbar (7.01563s) stopped
T01 >> 1462352128.27462792 XC 3D grid (5089.40614s) started
T01 >> 1462352128.45296597 van der Waals (4912.19550s) started
T01 >> 1462352128.49602294 semilocal (1106.80406s) started
T01 << 1462352130.72492909 semilocal (1109.03296s) stopped
T01 >> 1462352130.75620103 redistribute (537.45172s) started
T01 << 1462352131.12430191 redistribute (537.81982s) stopped
T01 >> 1462352131.12436795 libvdwxc nonlocal (3230.32688s) started
T01 << 1462352137.79015708 libvdwxc nonlocal (3236.99267s) stopped
T01 >> 1462352137.79022694 redistribute (537.81986s) started
T01 << 1462352138.45109391 redistribute (538.48073s) stopped
T01 << 1462352138.45266795 van der Waals (4922.19520s) stopped
T01 << 1462352138.62934709 XC 3D grid (5099.76086s) stopped
T01 >> 1462352138.62941098 Poisson (1046.40330s) started
T01 << 1462352141.00916409 Poisson (1048.78305s) stopped
T01 >> 1462352141.00926995 Hartree integrate/restrict (40.32832s) started
T01 << 1462352141.02808809 Hartree integrate/restrict (40.34714s) stopped
T01 >> 1462352141.02824998 Hartree integrate/restrict (40.34726s) started
T01 << 1462352141.08974695 Hartree integrate/restrict (40.40875s) stopped
T01 >> 1462352141.11277008 Atomic (3144.32266s) started
T01 >> 1462352141.12289405 XC Correction (3137.86461s) started
T01 << 1462352147.19023204 XC Correction (3143.93195s) stopped
T01 << 1462352147.19325995 Atomic (3150.40315s) stopped
T01 >> 1462352147.19336200 Communicate (2398.28893s) started
T01 << 1462352152.38681412 Communicate (2403.48238s) stopped
T01 << 1462352152.38684297 Hamiltonian (11760.44341s) stopped
T01 >> 1462352152.38691711 LCAO eigensolver (4233.58774s) started
T01 >> 1462352152.38692999 Potential matrix (135.95650s) started
T01 << 1462352152.65073800 Potential matrix (136.22031s) stopped
T01 >> 1462352152.65080905 DistributedAtomicCorrection (703.18477s) started
T01 << 1462352153.97309709 DistributedAtomicCorrection (704.50706s) stopped
T01 >> 1462352153.97315502 Distribute overlap matrix (611.27213s) started
T01 >> 1462352153.97317696 blocked summation (579.54737s) started
T01 << 1462352155.08191109 blocked summation (580.65611s) stopped
T01 >> 1462352155.08343792 Scalapack redistribute (30.89691s) started
T01 << 1462352155.14348412 Scalapack redistribute (30.95696s) stopped
T01 << 1462352155.14356804 Distribute overlap matrix (612.44255s) stopped
T01 >> 1462352155.14415503 Blacs Orbital Layouts (1452.42681s) started
T01 >> 1462352155.14575410 General diagonalize (1423.38878s) started
T01 << 1462352157.88194704 General diagonalize (1426.12497s) stopped
T01 >> 1462352157.88201308 Redistribute coefs (1.57273s) started
T01 << 1462352157.88530588 Redistribute coefs (1.57602s) stopped
T01 >> 1462352157.88539195 Send coefs to domains (26.66341s) started
T01 << 1462352157.93436790 Send coefs to domains (26.71239s) stopped
T01 << 1462352157.93483901 Blacs Orbital Layouts (1455.21750s) stopped
T01 >> 1462352157.93490505 Calculate projections (1330.30020s) started
T01 << 1462352160.37788010 Calculate projections (1332.74317s) stopped
T01 << 1462352160.37814903 LCAO eigensolver (4241.57897s) stopped
T01 >> 1462352160.37886810 Density (1037.02736s) started
T01 >> 1462352160.37888193 Pseudo density (857.53452s) started
T01 >> 1462352160.37932992 Calculate density matrix (770.70526s) started
T01 << 1462352162.03697491 Calculate density matrix (772.36290s) stopped
T01 >> 1462352162.03707290 Construct density (85.62070s) started
T01 << 1462352162.21503305 Construct density (85.79866s) stopped
T01 >> 1462352162.21649694 Symmetrize density (0.02178s) started
T01 << 1462352162.21653008 Symmetrize density (0.02181s) stopped
T01 << 1462352162.21697307 Pseudo density (859.37261s) stopped
T01 >> 1462352162.21699190 Atomic density matrices (119.01438s) started
T01 << 1462352162.46291089 Atomic density matrices (119.26030s) stopped
T01 >> 1462352162.46295190 Multipole moments (1.92955s) started
T01 << 1462352162.46684003 Multipole moments (1.93344s) stopped
T01 >> 1462352162.46686292 Normalize (0.53319s) started
T01 << 1462352162.46800995 Normalize (0.53433s) stopped
T01 >> 1462352162.46804309 Mix (57.98275s) started
T01 << 1462352162.58735609 Mix (58.10206s) stopped
T01 << 1462352162.58745909 Density (1039.23595s) stopped
T01 >> 1462352162.58755302 Hamiltonian (11760.44342s) started
T01 >> 1462352162.58757091 vbar (7.01568s) started
T01 << 1462352162.60376096 vbar (7.03187s) stopped
T01 >> 1462352162.60383391 XC 3D grid (5099.76091s) started
T01 >> 1462352162.77899003 van der Waals (4922.19532s) started
T01 >> 1462352162.82365894 semilocal (1109.03302s) started
T01 << 1462352165.05162692 semilocal (1111.26099s) stopped
T01 >> 1462352165.08291101 redistribute (538.48086s) started
T01 << 1462352165.45215106 redistribute (538.85010s) stopped
T01 >> 1462352165.45221710 libvdwxc nonlocal (3236.99271s) started
T01 << 1462352172.13923693 libvdwxc nonlocal (3243.67973s) stopped
T01 >> 1462352172.13931608 redistribute (538.85014s) started
T01 << 1462352172.79498196 redistribute (539.50581s) stopped
T01 << 1462352172.79611897 van der Waals (4932.21245s) stopped
T01 << 1462352172.97790408 XC 3D grid (5110.13498s) stopped
T01 >> 1462352172.97795510 Poisson (1048.78313s) started
T01 << 1462352174.77737498 Poisson (1050.58255s) stopped
T01 >> 1462352174.77745891 Hartree integrate/restrict (40.40878s) started
T01 << 1462352174.79663801 Hartree integrate/restrict (40.42796s) stopped
T01 >> 1462352174.79670811 Hartree integrate/restrict (40.42801s) started
T01 << 1462352174.86330390 Hartree integrate/restrict (40.49461s) stopped
T01 >> 1462352174.88078499 Atomic (3150.40317s) started
T01 >> 1462352174.89082694 XC Correction (3143.93198s) started
T01 << 1462352180.97274804 XC Correction (3150.01390s) stopped
T01 << 1462352180.97573900 Atomic (3156.49812s) stopped
T01 >> 1462352180.97584510 Communicate (2403.48240s) started
T01 << 1462352186.23807192 Communicate (2408.74463s) stopped
T01 << 1462352186.23810291 Hamiltonian (11784.09397s) stopped
T01 >> 1462352186.23817992 LCAO eigensolver (4241.57899s) started
T01 >> 1462352186.23819399 Potential matrix (136.22035s) started
T01 << 1462352186.50162506 Potential matrix (136.48378s) stopped
T01 >> 1462352186.50169992 DistributedAtomicCorrection (704.50710s) started
T01 << 1462352187.83289599 DistributedAtomicCorrection (705.83829s) stopped
T01 >> 1462352187.83295298 Distribute overlap matrix (612.44256s) started
T01 >> 1462352187.83297610 blocked summation (580.65615s) started
T01 << 1462352188.92970610 blocked summation (581.75288s) stopped
T01 >> 1462352188.93140888 Scalapack redistribute (30.95700s) started
T01 << 1462352188.99018002 Scalapack redistribute (31.01577s) stopped
T01 << 1462352188.99026394 Distribute overlap matrix (613.59987s) stopped
T01 >> 1462352188.99085999 Blacs Orbital Layouts (1455.21751s) started
T01 >> 1462352188.99201107 General diagonalize (1426.12501s) started
T01 << 1462352191.70545197 General diagonalize (1428.83845s) stopped
T01 >> 1462352191.70551705 Redistribute coefs (1.57606s) started
T01 << 1462352191.70817804 Redistribute coefs (1.57872s) stopped
T01 >> 1462352191.70826507 Send coefs to domains (26.71243s) started
T01 << 1462352191.75803089 Send coefs to domains (26.76220s) stopped
T01 << 1462352191.75833297 Blacs Orbital Layouts (1457.98499s) stopped
T01 >> 1462352191.75838995 Calculate projections (1332.74323s) started
T01 << 1462352194.20094204 Calculate projections (1335.18578s) stopped
T01 << 1462352194.20121098 LCAO eigensolver (4249.54202s) stopped
T01 >> 1462352194.20192695 Density (1039.23597s) started
T01 >> 1462352194.20194006 Pseudo density (859.37263s) started
T01 >> 1462352194.20238805 Calculate density matrix (772.36294s) started
T01 << 1462352195.85490990 Calculate density matrix (774.01547s) stopped
T01 >> 1462352195.85500312 Construct density (85.79870s) started
T01 << 1462352196.03290892 Construct density (85.97660s) stopped
T01 >> 1462352196.03434396 Symmetrize density (0.02182s) started
T01 << 1462352196.03437901 Symmetrize density (0.02186s) stopped
T01 << 1462352196.03482604 Pseudo density (861.20551s) stopped
T01 >> 1462352196.03484511 Atomic density matrices (119.26033s) started
T01 << 1462352196.28193808 Atomic density matrices (119.50742s) stopped
T01 >> 1462352196.28197908 Multipole moments (1.93346s) started
T01 << 1462352196.28586102 Multipole moments (1.93734s) stopped
T01 >> 1462352196.28588390 Normalize (0.53436s) started
T01 << 1462352196.28702688 Normalize (0.53550s) stopped
T01 >> 1462352196.28706193 Mix (58.10216s) started
T01 << 1462352196.40625310 Mix (58.22135s) stopped
T01 << 1462352196.40637302 Density (1041.44042s) stopped
T01 >> 1462352196.40647006 Hamiltonian (11784.09399s) started
T01 >> 1462352196.40648890 vbar (7.03191s) started
T01 << 1462352196.42258692 vbar (7.04801s) stopped
T01 >> 1462352196.42269397 XC 3D grid (5110.13502s) started
T01 >> 1462352196.59638000 van der Waals (4932.21248s) started
T01 >> 1462352196.64012599 semilocal (1111.26107s) started
T01 << 1462352198.86621904 semilocal (1113.48716s) stopped
T01 >> 1462352198.89765096 redistribute (539.50585s) started
T01 << 1462352199.26902699 redistribute (539.87723s) stopped
T01 >> 1462352199.26909399 libvdwxc nonlocal (3243.67979s) started
T01 << 1462352205.95736694 libvdwxc nonlocal (3250.36806s) stopped
T01 >> 1462352205.95742607 redistribute (539.87726s) started
T01 << 1462352206.60286689 redistribute (540.52271s) stopped
T01 << 1462352206.60399795 van der Waals (4942.22010s) stopped
T01 << 1462352206.78512311 XC 3D grid (5120.49745s) stopped
T01 >> 1462352206.78516793 Poisson (1050.58261s) started
T01 << 1462352208.58256698 Poisson (1052.38001s) stopped
T01 >> 1462352208.58264709 Hartree integrate/restrict (40.49465s) started
T01 << 1462352208.60126805 Hartree integrate/restrict (40.51327s) stopped
T01 >> 1462352208.60131788 Hartree integrate/restrict (40.51330s) started
T01 << 1462352208.66230512 Hartree integrate/restrict (40.57429s) stopped
T01 >> 1462352208.68585491 Atomic (3156.49814s) started
T01 >> 1462352208.69587207 XC Correction (3150.01392s) started
T01 << 1462352214.81992888 XC Correction (3156.13798s) stopped
T01 << 1462352214.82292700 Atomic (3162.63521s) stopped
T01 >> 1462352214.82303190 Communicate (2408.74465s) started
T01 << 1462352219.93308592 Communicate (2413.85470s) stopped
T01 << 1462352219.93311501 Hamiltonian (11807.62063s) stopped
T01 >> 1462352219.93318892 LCAO eigensolver (4249.54204s) started
T01 >> 1462352219.93320203 Potential matrix (136.48382s) started
T01 << 1462352220.19834805 Potential matrix (136.74897s) stopped
T01 >> 1462352220.19842100 DistributedAtomicCorrection (705.83833s) started
T01 << 1462352221.52527308 DistributedAtomicCorrection (707.16518s) stopped
T01 >> 1462352221.52533007 Distribute overlap matrix (613.59988s) started
T01 >> 1462352221.52535200 blocked summation (581.75291s) started
T01 << 1462352222.63651299 blocked summation (582.86408s) stopped
T01 >> 1462352222.63864994 Scalapack redistribute (31.01580s) started
T01 << 1462352222.69714093 Scalapack redistribute (31.07429s) stopped
T01 << 1462352222.69722295 Distribute overlap matrix (614.77177s) stopped
T01 >> 1462352222.69781590 Blacs Orbital Layouts (1457.98501s) started
T01 >> 1462352222.69898510 General diagonalize (1428.83849s) started
T01 << 1462352225.43484092 General diagonalize (1431.57434s) stopped
T01 >> 1462352225.43490696 Redistribute coefs (1.57876s) started
T01 << 1462352225.43756509 Redistribute coefs (1.58142s) stopped
T01 >> 1462352225.43760991 Send coefs to domains (26.76224s) started
T01 << 1462352225.48761702 Send coefs to domains (26.81225s) stopped
T01 << 1462352225.48792911 Blacs Orbital Layouts (1460.77512s) stopped
T01 >> 1462352225.48798990 Calculate projections (1335.18583s) started
T01 << 1462352227.93076110 Calculate projections (1337.62860s) stopped
T01 << 1462352227.93117309 LCAO eigensolver (4257.54002s) stopped
T01 >> 1462352227.93188906 Density (1041.44044s) started
T01 >> 1462352227.93190289 Pseudo density (861.20553s) started
T01 >> 1462352227.93235803 Calculate density matrix (774.01551s) started
T01 << 1462352229.58265090 Calculate density matrix (775.66581s) stopped
T01 >> 1462352229.58274293 Construct density (85.97664s) started
T01 << 1462352229.76116610 Construct density (86.15506s) stopped
T01 >> 1462352229.76260209 Symmetrize density (0.02187s) started
T01 << 1462352229.76263499 Symmetrize density (0.02190s) stopped
T01 << 1462352229.76307511 Pseudo density (863.03670s) stopped
T01 >> 1462352229.76309395 Atomic density matrices (119.50745s) started
T01 << 1462352230.00908494 Atomic density matrices (119.75344s) stopped
T01 >> 1462352230.00912595 Multipole moments (1.93735s) started
T01 << 1462352230.01301003 Multipole moments (1.94124s) stopped
T01 >> 1462352230.01303196 Normalize (0.53553s) started
T01 << 1462352230.01416397 Normalize (0.53666s) stopped
T01 >> 1462352230.01419902 Mix (58.22147s) started
T01 << 1462352230.13446307 Mix (58.34173s) stopped
T01 << 1462352230.13456702 Density (1043.64311s) stopped
T01 >> 1462352230.13466001 Hamiltonian (11807.62065s) started
T01 >> 1462352230.13467693 vbar (7.04807s) started
T01 << 1462352230.15072489 vbar (7.06412s) stopped
T01 >> 1462352230.15083003 XC 3D grid (5120.49748s) started
T01 >> 1462352230.32943511 van der Waals (4942.22015s) started
T01 >> 1462352230.37213492 semilocal (1113.48726s) started
T01 << 1462352232.59290004 semilocal (1115.70803s) stopped
T01 >> 1462352232.62310696 redistribute (540.52276s) started
T01 << 1462352232.99722505 redistribute (540.89687s) stopped
T01 >> 1462352232.99729109 libvdwxc nonlocal (3250.36810s) started
T01 << 1462352239.69681001 libvdwxc nonlocal (3257.06762s) stopped
T01 >> 1462352239.69688392 redistribute (540.89691s) started
T01 << 1462352240.35643005 redistribute (541.55646s) stopped
T01 << 1462352240.35777998 van der Waals (4952.24849s) stopped
T01 << 1462352240.53654194 XC 3D grid (5130.88320s) stopped
T01 >> 1462352240.53660393 Poisson (1052.38007s) started
T01 << 1462352242.33314109 Poisson (1054.17661s) stopped
T01 >> 1462352242.33324289 Hartree integrate/restrict (40.57433s) started
T01 << 1462352242.35213089 Hartree integrate/restrict (40.59322s) stopped
T01 >> 1462352242.35226989 Hartree integrate/restrict (40.59331s) started
T01 << 1462352242.41365790 Hartree integrate/restrict (40.65470s) stopped
T01 >> 1462352242.43706989 Atomic (3162.63523s) started
T01 >> 1462352242.44719791 XC Correction (3156.13800s) started
T01 << 1462352248.58988500 XC Correction (3162.28069s) stopped
T01 << 1462352248.59286308 Atomic (3168.79102s) stopped
T01 >> 1462352248.59296489 Communicate (2413.85472s) started
T01 << 1462352253.69427299 Communicate (2418.95603s) stopped
T01 << 1462352253.69430208 Hamiltonian (11831.18029s) stopped
T01 >> 1462352253.69437599 LCAO eigensolver (4257.54004s) started
T01 >> 1462352253.69438910 Potential matrix (136.74900s) started
T01 << 1462352253.95857596 Potential matrix (137.01319s) stopped
T01 >> 1462352253.95865202 DistributedAtomicCorrection (707.16522s) started
T01 << 1462352255.27452397 DistributedAtomicCorrection (708.48109s) stopped
T01 >> 1462352255.27457905 Distribute overlap matrix (614.77179s) started
T01 >> 1462352255.27460003 blocked summation (582.86411s) started
T01 << 1462352256.40674305 blocked summation (583.99626s) stopped
T01 >> 1462352256.40825891 Scalapack redistribute (31.07433s) started
T01 << 1462352256.46828794 Scalapack redistribute (31.13436s) stopped
T01 << 1462352256.46837902 Distribute overlap matrix (615.96559s) stopped
T01 >> 1462352256.46897197 Blacs Orbital Layouts (1460.77514s) started
T01 >> 1462352256.47054601 General diagonalize (1431.57438s) started
T01 << 1462352259.21195793 General diagonalize (1434.31580s) stopped
T01 >> 1462352259.21202397 Redistribute coefs (1.58145s) started
T01 << 1462352259.21530890 Redistribute coefs (1.58474s) stopped
T01 >> 1462352259.21535492 Send coefs to domains (26.81229s) started
T01 << 1462352259.26471496 Send coefs to domains (26.86165s) stopped
T01 << 1462352259.26516294 Blacs Orbital Layouts (1463.57133s) stopped
T01 >> 1462352259.26521611 Calculate projections (1337.62866s) started
T01 << 1462352261.70800710 Calculate projections (1340.07145s) stopped
T01 << 1462352261.70827198 LCAO eigensolver (4265.55394s) stopped
T01 >> 1462352261.70899010 Density (1043.64313s) started
T01 >> 1462352261.70900297 Pseudo density (863.03671s) started
T01 >> 1462352261.70945692 Calculate density matrix (775.66585s) started
T01 << 1462352263.36615205 Calculate density matrix (777.32255s) stopped
T01 >> 1462352263.36625004 Construct density (86.15510s) started
T01 << 1462352263.54415607 Construct density (86.33300s) stopped
T01 >> 1462352263.54647708 Symmetrize density (0.02192s) started
T01 << 1462352263.54650903 Symmetrize density (0.02195s) stopped
T01 << 1462352263.54695702 Pseudo density (864.87467s) stopped
T01 >> 1462352263.54697704 Atomic density matrices (119.75347s) started
T01 << 1462352263.79275107 Atomic density matrices (119.99924s) stopped
T01 >> 1462352263.79279304 Multipole moments (1.94125s) started
T01 << 1462352263.79666591 Multipole moments (1.94512s) stopped
T01 >> 1462352263.79668903 Normalize (0.53668s) started
T01 << 1462352263.79783607 Normalize (0.53783s) stopped
T01 >> 1462352263.79786992 Mix (58.34183s) started
T01 << 1462352263.91766596 Mix (58.46163s) stopped
T01 << 1462352263.91774392 Density (1045.85189s) stopped
T01 >> 1462352263.91784096 Hamiltonian (11831.18030s) started
T01 >> 1462352263.91785908 vbar (7.06418s) started
T01 << 1462352263.93350101 vbar (7.07983s) stopped
T01 >> 1462352263.93359900 XC 3D grid (5130.88325s) started
T01 >> 1462352264.11174011 van der Waals (4952.24855s) started
T01 >> 1462352264.15464997 semilocal (1115.70811s) started
T01 << 1462352266.37630200 semilocal (1117.92977s) stopped
T01 >> 1462352266.40698910 redistribute (541.55656s) started
T01 << 1462352266.78080606 redistribute (541.93038s) stopped
T01 >> 1462352266.78087211 libvdwxc nonlocal (3257.06767s) started
T01 << 1462352273.50037289 libvdwxc nonlocal (3263.78717s) stopped
T01 >> 1462352273.50043201 redistribute (541.93041s) started
T01 << 1462352274.14849496 redistribute (542.57848s) stopped
T01 << 1462352274.14956903 van der Waals (4962.28637s) stopped
T01 << 1462352274.33344698 XC 3D grid (5141.28309s) stopped
T01 >> 1462352274.33349299 Poisson (1054.17669s) started
T01 << 1462352276.13041401 Poisson (1055.97361s) stopped
T01 >> 1462352276.13049293 Hartree integrate/restrict (40.65474s) started
T01 << 1462352276.14960790 Hartree integrate/restrict (40.67385s) stopped
T01 >> 1462352276.14967608 Hartree integrate/restrict (40.67390s) started
T01 << 1462352276.21120000 Hartree integrate/restrict (40.73542s) stopped
T01 >> 1462352276.23336101 Atomic (3168.79104s) started
T01 >> 1462352276.24335694 XC Correction (3162.28071s) started
T01 << 1462352282.27882695 XC Correction (3168.31618s) stopped
T01 << 1462352282.28182101 Atomic (3174.83950s) stopped
T01 >> 1462352282.28192496 Communicate (2418.95605s) started
T01 << 1462352287.45478606 Communicate (2424.12891s) stopped
T01 << 1462352287.45481491 Hamiltonian (11854.71727s) stopped
T01 >> 1462352287.45488691 LCAO eigensolver (4265.55395s) started
T01 >> 1462352287.45490098 Potential matrix (137.01323s) started
T01 << 1462352287.72000194 Potential matrix (137.27833s) stopped
T01 >> 1462352287.72007394 DistributedAtomicCorrection (708.48113s) started
T01 << 1462352289.04141998 DistributedAtomicCorrection (709.80247s) stopped
T01 >> 1462352289.04147601 Distribute overlap matrix (615.96560s) started
T01 >> 1462352289.04149795 blocked summation (583.99629s) started
T01 << 1462352290.14847207 blocked summation (585.10327s) stopped
T01 >> 1462352290.15043402 Scalapack redistribute (31.13440s) started
T01 << 1462352290.21049905 Scalapack redistribute (31.19446s) stopped
T01 << 1462352290.21058202 Distribute overlap matrix (617.13470s) stopped
T01 >> 1462352290.21117902 Blacs Orbital Layouts (1463.57135s) started
T01 >> 1462352290.21232104 General diagonalize (1434.31584s) started
T01 << 1462352292.91781306 General diagonalize (1437.02133s) stopped
T01 >> 1462352292.91787910 Redistribute coefs (1.58477s) started
T01 << 1462352292.92066193 Redistribute coefs (1.58755s) stopped
T01 >> 1462352292.92074895 Send coefs to domains (26.86169s) started
T01 << 1462352292.97089696 Send coefs to domains (26.91184s) stopped
T01 << 1462352292.97121406 Blacs Orbital Layouts (1466.33138s) stopped
T01 >> 1462352292.97127199 Calculate projections (1340.07150s) started
T01 << 1462352295.41390705 Calculate projections (1342.51414s) stopped
T01 << 1462352295.41416407 LCAO eigensolver (4273.51323s) stopped
T01 >> 1462352295.41487408 Density (1045.85190s) started
T01 >> 1462352295.41488791 Pseudo density (864.87468s) started
T01 >> 1462352295.41533709 Calculate density matrix (777.32260s) started
T01 << 1462352297.07156706 Calculate density matrix (778.97883s) stopped
T01 >> 1462352297.07166004 Construct density (86.33304s) started
T01 << 1462352297.24955201 Construct density (86.51093s) stopped
T01 >> 1462352297.25100207 Symmetrize density (0.02196s) started
T01 << 1462352297.25103498 Symmetrize density (0.02200s) stopped
T01 << 1462352297.25146508 Pseudo density (866.71126s) stopped
T01 >> 1462352297.25148511 Atomic density matrices (119.99927s) started
T01 << 1462352297.49885702 Atomic density matrices (120.24665s) stopped
T01 >> 1462352297.49889803 Multipole moments (1.94514s) started
T01 << 1462352297.50282001 Multipole moments (1.94906s) stopped
T01 >> 1462352297.50284195 Normalize (0.53785s) started
T01 << 1462352297.50397396 Normalize (0.53899s) stopped
T01 >> 1462352297.50400901 Mix (58.46170s) started
T01 << 1462352297.62370300 Mix (58.58140s) stopped
T01 << 1462352297.62380409 Density (1048.06083s) stopped
T01 >> 1462352297.62390804 Hamiltonian (11854.71729s) started
T01 >> 1462352297.62392807 vbar (7.07988s) started
T01 << 1462352297.64046502 vbar (7.09642s) stopped
T01 >> 1462352297.64054394 XC 3D grid (5141.28313s) started
T01 >> 1462352297.81590796 van der Waals (4962.28640s) started
T01 >> 1462352297.85765290 semilocal (1117.92989s) started
T01 << 1462352300.08180189 semilocal (1120.15404s) stopped
T01 >> 1462352300.11321902 redistribute (542.57852s) started
T01 << 1462352300.48895693 redistribute (542.95426s) stopped
T01 >> 1462352300.48902392 libvdwxc nonlocal (3263.78721s) started
T01 << 1462352307.17568588 libvdwxc nonlocal (3270.47387s) stopped
T01 >> 1462352307.17575097 redistribute (542.95430s) started
T01 << 1462352307.83740902 redistribute (543.61595s) stopped
T01 << 1462352307.83885694 van der Waals (4972.30935s) stopped
T01 << 1462352308.01313806 XC 3D grid (5151.65572s) stopped
T01 >> 1462352308.01319003 Poisson (1055.97367s) started
T01 << 1462352309.22468710 Poisson (1057.18516s) stopped
T01 >> 1462352309.22476697 Hartree integrate/restrict (40.73547s) started
T01 << 1462352309.24361801 Hartree integrate/restrict (40.75432s) stopped
T01 >> 1462352309.24366689 Hartree integrate/restrict (40.75436s) started
T01 << 1462352309.31163192 Hartree integrate/restrict (40.82232s) stopped
T01 >> 1462352309.32801604 Atomic (3174.83951s) started
T01 >> 1462352309.33799410 XC Correction (3168.31621s) started
T01 << 1462352315.40927410 XC Correction (3174.38749s) stopped
T01 << 1462352315.41228390 Atomic (3180.92378s) stopped
T01 >> 1462352315.41238403 Communicate (2424.12893s) started
T01 << 1462352320.53094411 Communicate (2429.24749s) stopped
T01 << 1462352320.53097105 Hamiltonian (11877.62435s) stopped
T01 >> 1462352320.53104091 LCAO eigensolver (4273.51325s) started
T01 >> 1462352320.53105402 Potential matrix (137.27837s) started
T01 << 1462352320.79553699 Potential matrix (137.54285s) stopped
T01 >> 1462352320.79560995 DistributedAtomicCorrection (709.80251s) started
T01 << 1462352322.12336993 DistributedAtomicCorrection (711.13027s) stopped
T01 >> 1462352322.12342596 Distribute overlap matrix (617.13472s) started
T01 >> 1462352322.12344790 blocked summation (585.10330s) started
T01 << 1462352323.22861004 blocked summation (586.20847s) stopped
T01 >> 1462352323.23065591 Scalapack redistribute (31.19450s) started
T01 << 1462352323.28801703 Scalapack redistribute (31.25186s) stopped
T01 << 1462352323.28809810 Distribute overlap matrix (618.29939s) stopped
T01 >> 1462352323.28868103 Blacs Orbital Layouts (1466.33140s) started
T01 >> 1462352323.29006505 General diagonalize (1437.02137s) started
T01 << 1462352326.03296709 General diagonalize (1439.76427s) stopped
T01 >> 1462352326.03303194 Redistribute coefs (1.58759s) started
T01 << 1462352326.03627801 Redistribute coefs (1.59084s) stopped
T01 >> 1462352326.03632593 Send coefs to domains (26.91189s) started
T01 << 1462352326.08546209 Send coefs to domains (26.96102s) stopped
T01 << 1462352326.08575892 Blacs Orbital Layouts (1469.12848s) stopped
T01 >> 1462352326.08581901 Calculate projections (1342.51419s) started
T01 << 1462352328.52861691 Calculate projections (1344.95699s) stopped
T01 << 1462352328.52904010 LCAO eigensolver (4281.51125s) stopped
T01 << 1462352328.52976203 SCF-cycle (17207.63916s) stopped
T01 >> 1462352329.49177599 Force calculation (918.05807s) started
T01 >> 1462352329.49183798 LCAO forces (572.89999s) started
T01 >> 1462352329.49218988 Initial (0.00069s) started
T01 << 1462352329.49220109 Initial (0.00070s) stopped
T01 >> 1462352329.49641299 Get density matrix (111.60929s) started
T01 << 1462352330.10072398 Get density matrix (112.21360s) stopped
T01 >> 1462352330.10079193 Potential (41.04518s) started
T01 << 1462352331.51313305 Potential (42.45752s) stopped
T01 >> 1462352331.51319599 Get density matrix (112.21363s) started
T01 << 1462352334.80788994 Get density matrix (115.50833s) stopped
T01 >> 1462352334.80801201 Prepare TCI loop (56.96769s) started
T01 >> 1462352334.80848193 Get neighbors (52.14779s) started
T01 << 1462352336.61486411 Get neighbors (53.95417s) stopped
T01 >> 1462352336.61508894 broadcast dH (4.79959s) started
T01 << 1462352336.62506390 broadcast dH (4.80957s) stopped
T01 << 1462352336.62510800 Prepare TCI loop (58.78479s) stopped
T01 >> 1462352336.62512589 Not so complicated loop (80.42670s) started
T01 << 1462352339.42711306 Not so complicated loop (83.22869s) stopped
T01 >> 1462352339.55195308 Complicated loop (278.80455s) started
T01 << 1462352349.05996704 Complicated loop (288.31256s) stopped
T01 >> 1462352349.07260990 Wait for sum (0.00166s) started
T01 << 1462352349.07265401 Wait for sum (0.00171s) stopped
T01 << 1462352349.07266688 LCAO forces (592.48082s) stopped
T01 << 1462352362.23753309 Force calculation (950.80382s) stopped
T01 >> 1462352362.25521803 Initialization (1547.84246s) started
T01 << 1462352362.25540709 Initialization (1547.84265s) stopped
T01 >> 1462352362.25566006 Initialization (1547.84266s) started
T01 << 1462352362.25579190 Initialization (1547.84280s) stopped
T01 >> 1462352362.25592589 Initialization (1547.84281s) started
T01 << 1462352362.25605512 Initialization (1547.84294s) stopped
T01 >> 1462352382.63521504 Initialization (1547.84298s) started
T01 >> 1462352382.63980103 Basic WFS set positions (2.98479s) started
T01 >> 1462352382.63982511 Redistribute (0.05254s) started
T01 << 1462352382.63995790 Redistribute (0.05268s) stopped
T01 << 1462352382.73453903 Basic WFS set positions (3.07953s) stopped
T01 >> 1462352382.73457599 Basis functions set positions (12.83259s) started
T01 << 1462352383.14693809 Basis functions set positions (13.24495s) stopped
T01 >> 1462352383.14829803 TCI: Calculate S, T, P (464.35368s) started
T01 << 1462352398.14714193 TCI: Calculate S, T, P (479.35252s) stopped
T01 >> 1462352398.14721298 blocked summation (121.81029s) started
T01 << 1462352402.19013500 blocked summation (125.85322s) stopped
T01 >> 1462352402.19175601 Scalapack redistribute (7.23958s) started
T01 << 1462352402.25060701 Scalapack redistribute (7.29844s) stopped
T01 >> 1462352402.25097704 blocked summation (125.85326s) started
T01 << 1462352402.41754603 blocked summation (126.01983s) stopped
T01 >> 1462352402.41938090 Scalapack redistribute (7.29847s) started
T01 << 1462352402.61788511 Scalapack redistribute (7.49698s) stopped
T01 >> 1462352402.61933494 Redistribute (0.06135s) started
T01 << 1462352402.62027001 Redistribute (0.06229s) stopped
T01 >> 1462352403.52633691 Redistribute (0.06230s) started
T01 << 1462352403.52732205 Redistribute (0.06329s) stopped
T01 >> 1462352403.53796792 LCAO WFS Initialize (905.84112s) started
T01 >> 1462352403.53799701 Density initialize from wavefunctions (36.42510s) started
T01 >> 1462352403.53842306 Calculate density matrix (21.14186s) started
T01 << 1462352404.24444509 Calculate density matrix (21.84788s) stopped
T01 >> 1462352404.24451590 Construct density (5.19037s) started
T01 << 1462352404.42273998 Construct density (5.36860s) stopped
T01 >> 1462352404.42437506 Symmetrize density (0.00129s) started
T01 << 1462352404.42440891 Symmetrize density (0.00132s) stopped
T01 << 1462352404.76806593 Density initialize from wavefunctions (37.65517s) stopped
T01 >> 1462352404.76860595 Hamiltonian (869.20334s) started
T01 >> 1462352404.76863599 vbar (0.44906s) started
T01 << 1462352404.78468800 vbar (0.46511s) stopped
T01 >> 1462352404.78479099 XC 3D grid (317.92085s) started
T01 >> 1462352404.95780897 van der Waals (306.88550s) started
T01 >> 1462352404.99948406 semilocal (68.72847s) started
T01 << 1462352407.19713807 semilocal (70.92613s) stopped
T01 >> 1462352407.22835302 redistribute (33.22469s) started
T01 << 1462352407.63067603 redistribute (33.62702s) stopped
T01 >> 1462352407.63074207 libvdwxc nonlocal (202.58237s) started
T01 << 1462352414.35293698 libvdwxc nonlocal (209.30456s) stopped
T01 >> 1462352414.35299397 redistribute (33.62705s) started
T01 << 1462352414.99459791 redistribute (34.26866s) stopped
T01 << 1462352414.99552202 van der Waals (316.92322s) stopped
T01 << 1462352415.18122411 XC 3D grid (328.31728s) stopped
T01 >> 1462352415.18127298 Poisson (147.12665s) started
T01 << 1462352419.92946696 Poisson (151.87484s) stopped
T01 >> 1462352419.92954302 Hartree integrate/restrict (2.48553s) started
T01 << 1462352419.94879293 Hartree integrate/restrict (2.50478s) stopped
T01 >> 1462352419.94888711 Hartree integrate/restrict (2.50485s) started
T01 << 1462352420.00908589 Hartree integrate/restrict (2.56505s) stopped
T01 >> 1462352420.03207898 Atomic (206.97397s) started
T01 >> 1462352420.04208112 XC Correction (206.56142s) started
T01 << 1462352426.35248399 XC Correction (212.87182s) stopped
T01 << 1462352426.35554409 Atomic (213.29743s) stopped
T01 >> 1462352426.35575795 Communicate (193.56826s) started
T01 << 1462352433.30488205 Communicate (200.51738s) stopped
T01 << 1462352433.30490994 Hamiltonian (897.73964s) stopped
T01 << 1462352433.30496407 LCAO WFS Initialize (935.60812s) stopped
T01 << 1462352433.31735897 Initialization (1598.52512s) stopped
T01 >> 1462352433.34255290 SCF-cycle (17207.63917s) started
T01 >> 1462352433.34259701 LCAO eigensolver (4281.51127s) started
T01 >> 1462352433.34260988 Potential matrix (137.54289s) started
T01 << 1462352433.60778093 Potential matrix (137.80806s) stopped
T01 >> 1462352433.60785794 DistributedAtomicCorrection (711.13031s) started
T01 << 1462352434.94918299 DistributedAtomicCorrection (712.47163s) stopped
T01 >> 1462352434.94924808 Distribute overlap matrix (618.29940s) started
T01 >> 1462352434.94927096 blocked summation (586.20851s) started
T01 << 1462352436.10645890 blocked summation (587.36570s) stopped
T01 >> 1462352436.10795593 Scalapack redistribute (31.25189s) started
T01 << 1462352436.16687107 Scalapack redistribute (31.31081s) stopped
T01 << 1462352436.16696811 Distribute overlap matrix (619.51712s) stopped
T01 >> 1462352436.16755390 Blacs Orbital Layouts (1469.12850s) started
T01 >> 1462352436.16881108 General diagonalize (1439.76431s) started
T01 << 1462352438.91524410 General diagonalize (1442.51074s) stopped
T01 >> 1462352438.91529608 Redistribute coefs (1.59087s) started
T01 << 1462352438.91829491 Redistribute coefs (1.59387s) stopped
T01 >> 1462352438.91833997 Send coefs to domains (26.96106s) started
T01 << 1462352438.96897793 Send coefs to domains (27.01170s) stopped
T01 << 1462352438.96903706 Blacs Orbital Layouts (1471.92998s) stopped
T01 >> 1462352438.96906805 Calculate projections (1344.95704s) started
T01 << 1462352441.41148806 Calculate projections (1347.39946s) stopped
T01 << 1462352441.41156697 LCAO eigensolver (4289.58024s) stopped
T01 >> 1462352441.41239691 Density (1048.06085s) started
T01 >> 1462352441.41241002 Pseudo density (866.71127s) started
T01 >> 1462352441.41285896 Calculate density matrix (778.97887s) started
T01 << 1462352443.06430602 Calculate density matrix (780.63032s) stopped
T01 >> 1462352443.06436992 Construct density (86.51096s) started
T01 << 1462352443.24253607 Construct density (86.68913s) stopped
T01 >> 1462352443.24414396 Symmetrize density (0.02201s) started
T01 << 1462352443.24417806 Symmetrize density (0.02204s) stopped
T01 << 1462352443.24463010 Pseudo density (868.54349s) stopped
T01 >> 1462352443.24465299 Atomic density matrices (120.24667s) started
T01 << 1462352443.49171591 Atomic density matrices (120.49374s) stopped
T01 >> 1462352443.49175811 Multipole moments (1.94908s) started
T01 << 1462352443.49589491 Multipole moments (1.95321s) stopped
T01 >> 1462352443.49591708 Normalize (0.53901s) started
T01 << 1462352443.49698806 Normalize (0.54008s) stopped
T01 >> 1462352443.49702406 Mix (58.58150s) started
T01 << 1462352443.60338211 Mix (58.68785s) stopped
T01 << 1462352443.60346293 Density (1050.25192s) stopped
T01 >> 1462352443.60355210 Hamiltonian (11877.62437s) started
T01 >> 1462352443.60356903 vbar (7.09647s) started
T01 << 1462352443.61923099 vbar (7.11213s) stopped
T01 >> 1462352443.61932302 XC 3D grid (5151.65576s) started
T01 >> 1462352443.79306889 van der Waals (4972.30940s) started
T01 >> 1462352443.83717990 semilocal (1120.15409s) started
T01 << 1462352446.06960201 semilocal (1122.38651s) stopped
T01 >> 1462352446.10013103 redistribute (543.61604s) started
T01 << 1462352446.47045207 redistribute (543.98636s) stopped
T01 >> 1462352446.47051811 libvdwxc nonlocal (3270.47391s) started
T01 << 1462352453.18448210 libvdwxc nonlocal (3277.18787s) stopped
T01 >> 1462352453.18454504 redistribute (543.98640s) started
T01 << 1462352453.83136511 redistribute (544.63322s) stopped
T01 << 1462352453.83229709 van der Waals (4982.34863s) stopped
T01 << 1462352454.01429892 XC 3D grid (5162.05073s) stopped
T01 >> 1462352454.01435709 Poisson (1057.18522s) started
T01 << 1462352455.82029295 Poisson (1058.99116s) stopped
T01 >> 1462352455.82041907 Hartree integrate/restrict (40.82236s) started
T01 << 1462352455.83944702 Hartree integrate/restrict (40.84139s) stopped
T01 >> 1462352455.83960795 Hartree integrate/restrict (40.84150s) started
T01 << 1462352455.90704203 Hartree integrate/restrict (40.90893s) stopped
T01 >> 1462352455.92609692 Atomic (3180.92380s) started
T01 >> 1462352455.93576908 XC Correction (3174.38751s) started
T01 << 1462352462.25935888 XC Correction (3180.71110s) stopped
T01 << 1462352462.26235390 Atomic (3187.26006s) stopped
T01 >> 1462352462.26247907 Communicate (2429.24751s) started
T01 << 1462352469.02799106 Communicate (2436.01302s) stopped
T01 << 1462352469.02802110 Hamiltonian (11903.04883s) stopped
T01 >> 1462352469.02809405 LCAO eigensolver (4289.58025s) started
T01 >> 1462352469.02810597 Potential matrix (137.80810s) started
T01 << 1462352469.29408908 Potential matrix (138.07408s) stopped
T01 >> 1462352469.29416394 DistributedAtomicCorrection (712.47167s) started
T01 << 1462352470.60890698 DistributedAtomicCorrection (713.78641s) stopped
T01 >> 1462352470.60896301 Distribute overlap matrix (619.51713s) started
T01 >> 1462352470.60898495 blocked summation (587.36574s) started
T01 << 1462352471.82353711 blocked summation (588.58029s) stopped
T01 >> 1462352471.82502508 Scalapack redistribute (31.31085s) started
T01 << 1462352471.88449907 Scalapack redistribute (31.37033s) stopped
T01 << 1462352471.88458300 Distribute overlap matrix (620.79275s) stopped
T01 >> 1462352471.88519096 Blacs Orbital Layouts (1471.92999s) started
T01 >> 1462352471.88635302 General diagonalize (1442.51078s) started
T01 << 1462352474.60958695 General diagonalize (1445.23401s) stopped
T01 >> 1462352474.60965395 Redistribute coefs (1.59391s) started
T01 << 1462352474.61259794 Redistribute coefs (1.59685s) stopped
T01 >> 1462352474.61264491 Send coefs to domains (27.01175s) started
T01 << 1462352474.66297603 Send coefs to domains (27.06208s) stopped
T01 << 1462352474.66302800 Blacs Orbital Layouts (1474.70783s) stopped
T01 >> 1462352474.66308403 Calculate projections (1347.39952s) started
T01 << 1462352477.10554290 Calculate projections (1349.84198s) stopped
T01 << 1462352477.10562205 LCAO eigensolver (4297.65778s) stopped
T01 >> 1462352477.10629511 Density (1050.25193s) started
T01 >> 1462352477.10630798 Pseudo density (868.54351s) started
T01 >> 1462352477.10676193 Calculate density matrix (780.63036s) started
T01 << 1462352478.75510097 Calculate density matrix (782.27870s) stopped
T01 >> 1462352478.75516891 Construct density (86.68916s) started
T01 << 1462352478.93366098 Construct density (86.86765s) stopped
T01 >> 1462352478.93510199 Symmetrize density (0.02205s) started
T01 << 1462352478.93513608 Symmetrize density (0.02209s) stopped
T01 << 1462352478.93558598 Pseudo density (870.37279s) stopped
T01 >> 1462352478.93560505 Atomic density matrices (120.49377s) started
T01 << 1462352479.18352795 Atomic density matrices (120.74169s) stopped
T01 >> 1462352479.18356895 Multipole moments (1.95323s) started
T01 << 1462352479.18770409 Multipole moments (1.95736s) stopped
T01 >> 1462352479.18772602 Normalize (0.54011s) started
T01 << 1462352479.18879008 Normalize (0.54117s) stopped
T01 >> 1462352479.18882203 Mix (58.68793s) started
T01 << 1462352479.29752111 Mix (58.79663s) stopped
T01 << 1462352479.29761195 Density (1052.44325s) stopped
T01 >> 1462352479.29770088 Hamiltonian (11903.04885s) started
T01 >> 1462352479.29771900 vbar (7.11218s) started
T01 << 1462352479.31388092 vbar (7.12835s) stopped
T01 >> 1462352479.31395793 XC 3D grid (5162.05078s) started
T01 >> 1462352479.48937392 van der Waals (4982.34865s) started
T01 >> 1462352479.53317404 semilocal (1122.38661s) started
T01 << 1462352481.73929906 semilocal (1124.59274s) stopped
T01 >> 1462352481.77302909 redistribute (544.63327s) started
T01 << 1462352482.16810298 redistribute (545.02834s) stopped
T01 >> 1462352482.16816998 libvdwxc nonlocal (3277.18792s) started
T01 << 1462352488.88863301 libvdwxc nonlocal (3283.90839s) stopped
T01 >> 1462352488.88874006 redistribute (545.02838s) started
T01 << 1462352489.53841305 redistribute (545.67805s) stopped
T01 << 1462352489.53942490 van der Waals (4992.39870s) stopped
T01 << 1462352489.72168112 XC 3D grid (5172.45850s) stopped
T01 >> 1462352489.72172689 Poisson (1058.99126s) started
T01 << 1462352491.52425194 Poisson (1060.79378s) stopped
T01 >> 1462352491.52434301 Hartree integrate/restrict (40.90896s) started
T01 << 1462352491.54344797 Hartree integrate/restrict (40.92807s) stopped
T01 >> 1462352491.54352307 Hartree integrate/restrict (40.92812s) started
T01 << 1462352491.60545897 Hartree integrate/restrict (40.99006s) stopped
T01 >> 1462352491.62762594 Atomic (3187.26009s) started
T01 >> 1462352491.63731503 XC Correction (3180.71113s) started
T01 << 1462352497.95397997 XC Correction (3187.02779s) stopped
T01 << 1462352497.95697093 Atomic (3193.58944s) stopped
T01 >> 1462352497.95707011 Communicate (2436.01304s) started
T01 << 1462352503.96471596 Communicate (2442.02069s) stopped
T01 << 1462352503.96474504 Hamiltonian (11927.71589s) stopped
T01 >> 1462352503.96481609 LCAO eigensolver (4297.65779s) started
T01 >> 1462352503.96482897 Potential matrix (138.07412s) started
T01 << 1462352504.22904611 Potential matrix (138.33834s) stopped
T01 >> 1462352504.22911906 DistributedAtomicCorrection (713.78645s) started
T01 << 1462352505.55072904 DistributedAtomicCorrection (715.10806s) stopped
T01 >> 1462352505.55078506 Distribute overlap matrix (620.79276s) started
T01 >> 1462352505.55080700 blocked summation (588.58033s) started
T01 << 1462352506.75671792 blocked summation (589.78624s) stopped
T01 >> 1462352506.75823593 Scalapack redistribute (31.37037s) started
T01 << 1462352506.81681800 Scalapack redistribute (31.42895s) stopped
T01 << 1462352506.81690788 Distribute overlap matrix (622.05889s) stopped
T01 >> 1462352506.81749010 Blacs Orbital Layouts (1474.70784s) started
T01 >> 1462352506.81874204 General diagonalize (1445.23405s) started
T01 << 1462352509.55272794 General diagonalize (1447.96804s) stopped
T01 >> 1462352509.55279207 Redistribute coefs (1.59688s) started
T01 << 1462352509.55568790 Redistribute coefs (1.59978s) stopped
T01 >> 1462352509.55576706 Send coefs to domains (27.06212s) started
T01 << 1462352509.60555410 Send coefs to domains (27.11191s) stopped
T01 << 1462352509.60560703 Blacs Orbital Layouts (1477.49596s) stopped
T01 >> 1462352509.60566592 Calculate projections (1349.84203s) started
T01 << 1462352512.04801702 Calculate projections (1352.28438s) stopped
T01 << 1462352512.04809690 LCAO eigensolver (4305.74107s) stopped
T01 >> 1462352512.04882598 Density (1052.44327s) started
T01 >> 1462352512.04884005 Pseudo density (870.37280s) started
T01 >> 1462352512.04928994 Calculate density matrix (782.27874s) started
T01 << 1462352513.69903398 Calculate density matrix (783.92849s) stopped
T01 >> 1462352513.69912696 Construct density (86.86769s) started
T01 << 1462352513.87709689 Construct density (87.04566s) stopped
T01 >> 1462352513.87853193 Symmetrize density (0.02210s) started
T01 << 1462352513.87856507 Symmetrize density (0.02213s) stopped
T01 << 1462352513.87901711 Pseudo density (872.20298s) stopped
T01 >> 1462352513.87903690 Atomic density matrices (120.74172s) started
T01 << 1462352514.12704802 Atomic density matrices (120.98973s) stopped
T01 >> 1462352514.12709093 Multipole moments (1.95738s) started
T01 << 1462352514.13121200 Multipole moments (1.96150s) stopped
T01 >> 1462352514.13123488 Normalize (0.54119s) started
T01 << 1462352514.13231111 Normalize (0.54227s) stopped
T01 >> 1462352514.13234401 Mix (58.79671s) started
T01 << 1462352514.24508500 Mix (58.90946s) stopped
T01 << 1462352514.24516606 Density (1054.63961s) stopped
T01 >> 1462352514.24524999 Hamiltonian (11927.71591s) started
T01 >> 1462352514.24526811 vbar (7.12839s) started
T01 << 1462352514.26143694 vbar (7.14456s) stopped
T01 >> 1462352514.26154995 XC 3D grid (5172.45854s) started
T01 >> 1462352514.43048310 van der Waals (4992.39875s) started
T01 >> 1462352514.47280002 semilocal (1124.59284s) started
T01 << 1462352516.66670704 semilocal (1126.78675s) stopped
T01 >> 1462352516.69974709 redistribute (545.67809s) started
T01 << 1462352517.10296392 redistribute (546.08131s) stopped
T01 >> 1462352517.10303092 libvdwxc nonlocal (3283.90847s) started
T01 << 1462352523.79637790 libvdwxc nonlocal (3290.60181s) stopped
T01 >> 1462352523.79644394 redistribute (546.08135s) started
T01 << 1462352524.44329095 redistribute (546.72820s) stopped
T01 << 1462352524.44409299 van der Waals (5002.41236s) stopped
T01 << 1462352524.62688589 XC 3D grid (5182.82387s) stopped
T01 >> 1462352524.62693596 Poisson (1060.79385s) started
T01 << 1462352527.01985598 Poisson (1063.18677s) stopped
T01 >> 1462352527.01994705 Hartree integrate/restrict (40.99010s) started
T01 << 1462352527.03903389 Hartree integrate/restrict (41.00919s) stopped
T01 >> 1462352527.03911710 Hartree integrate/restrict (41.00925s) started
T01 << 1462352527.09987593 Hartree integrate/restrict (41.07001s) stopped
T01 >> 1462352527.12345290 Atomic (3193.58946s) started
T01 >> 1462352527.13310194 XC Correction (3187.02782s) started
T01 << 1462352533.23288798 XC Correction (3193.12760s) stopped
T01 << 1462352533.23588490 Atomic (3199.70189s) stopped
T01 >> 1462352533.23598790 Communicate (2442.02071s) started
T01 << 1462352538.99373293 Communicate (2447.77845s) stopped
T01 << 1462352538.99376202 Hamiltonian (11952.46442s) stopped
T01 >> 1462352538.99383402 LCAO eigensolver (4305.74109s) started
T01 >> 1462352538.99384689 Potential matrix (138.33838s) started
T01 << 1462352539.25827909 Potential matrix (138.60281s) stopped
T01 >> 1462352539.25835395 DistributedAtomicCorrection (715.10810s) started
T01 << 1462352540.58407307 DistributedAtomicCorrection (716.43382s) stopped
T01 >> 1462352540.58413005 Distribute overlap matrix (622.05890s) started
T01 >> 1462352540.58415103 blocked summation (589.78628s) started
T01 << 1462352541.77458405 blocked summation (590.97671s) stopped
T01 >> 1462352541.77604103 Scalapack redistribute (31.42899s) started
T01 << 1462352541.83481789 Scalapack redistribute (31.48777s) stopped
T01 << 1462352541.83490610 Distribute overlap matrix (623.30968s) stopped
T01 >> 1462352541.83549404 Blacs Orbital Layouts (1477.49597s) started
T01 >> 1462352541.83674502 General diagonalize (1447.96808s) started
T01 << 1462352544.56649709 General diagonalize (1450.69783s) stopped
T01 >> 1462352544.56656098 Redistribute coefs (1.59981s) started
T01 << 1462352544.56974292 Redistribute coefs (1.60300s) stopped
T01 >> 1462352544.56978893 Send coefs to domains (27.11195s) started
T01 << 1462352544.61970997 Send coefs to domains (27.16187s) stopped
T01 << 1462352544.61976290 Blacs Orbital Layouts (1480.28024s) stopped
T01 >> 1462352544.61981797 Calculate projections (1352.28444s) started
T01 << 1462352547.06254601 Calculate projections (1354.72717s) stopped
T01 << 1462352547.06262398 LCAO eigensolver (4313.80988s) stopped
T01 >> 1462352547.06355095 Density (1054.63963s) started
T01 >> 1462352547.06356406 Pseudo density (872.20300s) started
T01 >> 1462352547.06401992 Calculate density matrix (783.92853s) started
T01 << 1462352548.72219992 Calculate density matrix (785.58671s) stopped
T01 >> 1462352548.72228909 Construct density (87.04569s) started
T01 << 1462352548.90041709 Construct density (87.22382s) stopped
T01 >> 1462352548.90202498 Symmetrize density (0.02214s) started
T01 << 1462352548.90205789 Symmetrize density (0.02217s) stopped
T01 << 1462352548.90250206 Pseudo density (874.04193s) stopped
T01 >> 1462352548.90252209 Atomic density matrices (120.98975s) started
T01 << 1462352549.15049005 Atomic density matrices (121.23772s) stopped
T01 >> 1462352549.15053105 Multipole moments (1.96151s) started
T01 << 1462352549.15465403 Multipole moments (1.96564s) stopped
T01 >> 1462352549.15467691 Normalize (0.54229s) started
T01 << 1462352549.15575004 Normalize (0.54337s) stopped
T01 >> 1462352549.15578389 Mix (58.90953s) started
T01 << 1462352549.27017903 Mix (59.02393s) stopped
T01 << 1462352549.27028108 Density (1056.84636s) stopped
T01 >> 1462352549.27036905 Hamiltonian (11952.46443s) started
T01 >> 1462352549.27038693 vbar (7.14463s) started
T01 << 1462352549.28725290 vbar (7.16149s) stopped
T01 >> 1462352549.28735900 XC 3D grid (5182.82391s) started
T01 >> 1462352549.46656609 van der Waals (5002.41240s) started
T01 >> 1462352549.50933504 semilocal (1126.78689s) started
T01 << 1462352551.73422098 semilocal (1129.01178s) stopped
T01 >> 1462352551.76452589 redistribute (546.72824s) started
T01 << 1462352552.14332294 redistribute (547.10703s) stopped
T01 >> 1462352552.14338803 libvdwxc nonlocal (3290.60185s) started
T01 << 1462352558.84682298 libvdwxc nonlocal (3297.30529s) stopped
T01 >> 1462352558.84690309 redistribute (547.10707s) started
T01 << 1462352559.49648094 redistribute (547.75665s) stopped
T01 << 1462352559.49742699 van der Waals (5012.44326s) stopped
T01 << 1462352559.67714500 XC 3D grid (5193.21370s) stopped
T01 >> 1462352559.67721009 Poisson (1063.18684s) started
T01 << 1462352562.05139804 Poisson (1065.56103s) stopped
T01 >> 1462352562.05152988 Hartree integrate/restrict (41.07006s) started
T01 << 1462352562.07036901 Hartree integrate/restrict (41.08890s) stopped
T01 >> 1462352562.07049608 Hartree integrate/restrict (41.08899s) started
T01 << 1462352562.13200092 Hartree integrate/restrict (41.15049s) stopped
T01 >> 1462352562.15563512 Atomic (3199.70190s) started
T01 >> 1462352562.16533589 XC Correction (3193.12763s) started
T01 << 1462352568.28521204 XC Correction (3199.24751s) stopped
T01 << 1462352568.28820801 Atomic (3205.83448s) stopped
T01 >> 1462352568.28830910 Communicate (2447.77847s) started
T01 << 1462352573.63743997 Communicate (2453.12760s) stopped
T01 << 1462352573.63746691 Hamiltonian (11976.83153s) stopped
T01 >> 1462352573.63753891 LCAO eigensolver (4313.80989s) started
T01 >> 1462352573.63755202 Potential matrix (138.60285s) started
T01 << 1462352573.90181303 Potential matrix (138.86711s) stopped
T01 >> 1462352573.90188599 DistributedAtomicCorrection (716.43385s) started
T01 << 1462352575.22184110 DistributedAtomicCorrection (717.75381s) stopped
T01 >> 1462352575.22189593 Distribute overlap matrix (623.30969s) started
T01 >> 1462352575.22191691 blocked summation (590.97675s) started
T01 << 1462352576.40927410 blocked summation (592.16411s) stopped
T01 >> 1462352576.41072392 Scalapack redistribute (31.48781s) started
T01 << 1462352576.47030401 Scalapack redistribute (31.54739s) stopped
T01 << 1462352576.47038388 Distribute overlap matrix (624.55818s) stopped
T01 >> 1462352576.47096610 Blacs Orbital Layouts (1480.28025s) started
T01 >> 1462352576.47291493 General diagonalize (1450.69787s) started
T01 << 1462352579.20885110 General diagonalize (1453.43380s) stopped
T01 >> 1462352579.20891404 Redistribute coefs (1.60303s) started
T01 << 1462352579.21165299 Redistribute coefs (1.60577s) stopped
T01 >> 1462352579.21170092 Send coefs to domains (27.16191s) started
T01 << 1462352579.26272392 Send coefs to domains (27.21293s) stopped
T01 << 1462352579.26330304 Blacs Orbital Layouts (1483.07259s) stopped
T01 >> 1462352579.26336002 Calculate projections (1354.72722s) started
T01 << 1462352581.70598197 Calculate projections (1357.16984s) stopped
T01 << 1462352581.70606089 LCAO eigensolver (4321.87841s) stopped
T01 >> 1462352581.70680308 Density (1056.84638s) started
T01 >> 1462352581.70681596 Pseudo density (874.04195s) started
T01 >> 1462352581.70726204 Calculate density matrix (785.58675s) started
T01 << 1462352583.55134606 Calculate density matrix (787.43084s) stopped
T01 >> 1462352583.55143595 Construct density (87.22385s) started
T01 << 1462352583.72989893 Construct density (87.40232s) stopped
T01 >> 1462352583.73133612 Symmetrize density (0.02218s) started
T01 << 1462352583.73136997 Symmetrize density (0.02222s) stopped
T01 << 1462352583.73182297 Pseudo density (876.06696s) stopped
T01 >> 1462352583.73184204 Atomic density matrices (121.23775s) started
T01 << 1462352583.97925496 Atomic density matrices (121.48516s) stopped
T01 >> 1462352583.97929597 Multipole moments (1.96565s) started
T01 << 1462352583.98340297 Multipole moments (1.96976s) stopped
T01 >> 1462352583.98342609 Normalize (0.54339s) started
T01 << 1462352583.98447800 Normalize (0.54444s) stopped
T01 >> 1462352583.98450899 Mix (59.02403s) started
T01 << 1462352584.10336494 Mix (59.14288s) stopped
T01 << 1462352584.10346603 Density (1059.24304s) stopped
T01 >> 1462352584.10356092 Hamiltonian (11976.83154s) started
T01 >> 1462352584.10358000 vbar (7.16155s) started
T01 << 1462352584.11931491 vbar (7.17728s) stopped
T01 >> 1462352584.11940908 XC 3D grid (5193.21375s) started
T01 >> 1462352584.29033399 van der Waals (5012.44328s) started
T01 >> 1462352584.33449006 semilocal (1129.01184s) started
T01 << 1462352586.53890109 semilocal (1131.21625s) stopped
T01 >> 1462352586.57216907 redistribute (547.75670s) started
T01 << 1462352586.97538400 redistribute (548.15991s) stopped
T01 >> 1462352586.97545099 libvdwxc nonlocal (3297.30534s) started
T01 << 1462352593.70616698 libvdwxc nonlocal (3304.03606s) stopped
T01 >> 1462352593.70625710 redistribute (548.15996s) started
T01 << 1462352594.35733008 redistribute (548.81103s) stopped
T01 << 1462352594.35826302 van der Waals (5022.51121s) stopped
T01 << 1462352594.54078698 XC 3D grid (5203.63513s) stopped
T01 >> 1462352594.54083610 Poisson (1065.56114s) started
T01 << 1462352596.92663908 Poisson (1067.94694s) stopped
T01 >> 1462352596.92671609 Hartree integrate/restrict (41.15053s) started
T01 << 1462352596.94574189 Hartree integrate/restrict (41.16955s) stopped
T01 >> 1462352596.94584107 Hartree integrate/restrict (41.16962s) started
T01 << 1462352597.00762296 Hartree integrate/restrict (41.23140s) stopped
T01 >> 1462352597.02713609 Atomic (3205.83450s) started
T01 >> 1462352597.03682208 XC Correction (3199.24753s) started
T01 << 1462352603.15776801 XC Correction (3205.36848s) stopped
T01 << 1462352603.16077495 Atomic (3211.96813s) stopped
T01 >> 1462352603.16087794 Communicate (2453.12762s) started
T01 << 1462352608.48759103 Communicate (2458.45434s) stopped
T01 << 1462352608.48762012 Hamiltonian (12001.21560s) stopped
T01 >> 1462352608.48769212 LCAO eigensolver (4321.87843s) started
T01 >> 1462352608.48770595 Potential matrix (138.86715s) started
T01 << 1462352608.75184011 Potential matrix (139.13129s) stopped
T01 >> 1462352608.75191307 DistributedAtomicCorrection (717.75385s) started
T01 << 1462352610.05967689 DistributedAtomicCorrection (719.06161s) stopped
T01 >> 1462352610.05973411 Distribute overlap matrix (624.55819s) started
T01 >> 1462352610.05975699 blocked summation (592.16415s) started
T01 << 1462352611.24845910 blocked summation (593.35285s) stopped
T01 >> 1462352611.25042391 Scalapack redistribute (31.54742s) started
T01 << 1462352611.30790591 Scalapack redistribute (31.60491s) stopped
T01 << 1462352611.30798411 Distribute overlap matrix (625.80644s) stopped
T01 >> 1462352611.30858207 Blacs Orbital Layouts (1483.07261s) started
T01 >> 1462352611.30999994 General diagonalize (1453.43384s) started
T01 << 1462352614.03713608 General diagonalize (1456.16098s) stopped
T01 >> 1462352614.03719807 Redistribute coefs (1.60581s) started
T01 << 1462352614.03993797 Redistribute coefs (1.60855s) stopped
T01 >> 1462352614.03998399 Send coefs to domains (27.21298s) started
T01 << 1462352614.09021902 Send coefs to domains (27.26321s) stopped
T01 << 1462352614.09055209 Blacs Orbital Layouts (1485.85458s) stopped
T01 >> 1462352614.09060597 Calculate projections (1357.16990s) started
T01 << 1462352616.53311706 Calculate projections (1359.61241s) stopped
T01 << 1462352616.53339195 LCAO eigensolver (4329.92413s) stopped
T01 >> 1462352616.53409410 Density (1059.24306s) started
T01 >> 1462352616.53410697 Pseudo density (876.06697s) started
T01 >> 1462352616.53455091 Calculate density matrix (787.43088s) started
T01 << 1462352618.18912292 Calculate density matrix (789.08545s) stopped
T01 >> 1462352618.18921208 Construct density (87.40235s) started
T01 << 1462352618.36723495 Construct density (87.58037s) stopped
T01 >> 1462352618.36866808 Symmetrize density (0.02223s) started
T01 << 1462352618.36870098 Symmetrize density (0.02226s) stopped
T01 << 1462352618.36914396 Pseudo density (877.90201s) stopped
T01 >> 1462352618.36916304 Atomic density matrices (121.48519s) started
T01 << 1462352618.61627293 Atomic density matrices (121.73230s) stopped
T01 >> 1462352618.61631489 Multipole moments (1.96977s) started
T01 << 1462352618.62039995 Multipole moments (1.97386s) stopped
T01 >> 1462352618.62042189 Normalize (0.54446s) started
T01 << 1462352618.62147808 Normalize (0.54552s) stopped
T01 >> 1462352618.62151289 Mix (59.14298s) started
T01 << 1462352618.74096799 Mix (59.26243s) stopped
T01 << 1462352618.74108410 Density (1061.45005s) stopped
T01 >> 1462352618.74118090 Hamiltonian (12001.21562s) started
T01 >> 1462352618.74119997 vbar (7.17734s) started
T01 << 1462352618.75772405 vbar (7.19387s) stopped
T01 >> 1462352618.75780892 XC 3D grid (5203.63517s) started
T01 >> 1462352618.93583894 van der Waals (5022.51124s) started
T01 >> 1462352618.97767210 semilocal (1131.21639s) started
T01 << 1462352621.20072603 semilocal (1133.43944s) stopped
T01 >> 1462352621.23144007 redistribute (548.81108s) started
T01 << 1462352621.61428094 redistribute (549.19392s) stopped
T01 >> 1462352621.61434698 libvdwxc nonlocal (3304.03612s) started
T01 << 1462352628.30292511 libvdwxc nonlocal (3310.72470s) stopped
T01 >> 1462352628.30301189 redistribute (549.19395s) started
T01 << 1462352628.95365191 redistribute (549.84459s) stopped
T01 << 1462352628.95439291 van der Waals (5032.52979s) stopped
T01 << 1462352629.13596392 XC 3D grid (5214.01332s) stopped
T01 >> 1462352629.13601494 Poisson (1067.94700s) started
T01 << 1462352631.52613807 Poisson (1070.33712s) stopped
T01 >> 1462352631.52621388 Hartree integrate/restrict (41.23144s) started
T01 << 1462352631.54531908 Hartree integrate/restrict (41.25055s) stopped
T01 >> 1462352631.54537892 Hartree integrate/restrict (41.25059s) started
T01 << 1462352631.60574293 Hartree integrate/restrict (41.31095s) stopped
T01 >> 1462352631.62994289 Atomic (3211.96815s) started
T01 >> 1462352631.63961196 XC Correction (3205.36850s) started
T01 << 1462352637.75866294 XC Correction (3211.48755s) stopped
T01 << 1462352637.76165509 Atomic (3218.09986s) stopped
T01 >> 1462352637.76175594 Communicate (2458.45435s) started
T01 << 1462352643.15014696 Communicate (2463.84275s) stopped
T01 << 1462352643.15017700 Hamiltonian (12025.62461s) stopped
T01 >> 1462352643.15024805 LCAO eigensolver (4329.92415s) started
T01 >> 1462352643.15025997 Potential matrix (139.13132s) started
T01 << 1462352643.41414809 Potential matrix (139.39521s) stopped
T01 >> 1462352643.41422200 DistributedAtomicCorrection (719.06165s) started
T01 << 1462352644.72405601 DistributedAtomicCorrection (720.37148s) stopped
T01 >> 1462352644.72411299 Distribute overlap matrix (625.80645s) started
T01 >> 1462352644.72413492 blocked summation (593.35289s) started
T01 << 1462352645.91183209 blocked summation (594.54059s) stopped
T01 >> 1462352645.91374493 Scalapack redistribute (31.60494s) started
T01 << 1462352645.97239399 Scalapack redistribute (31.66359s) stopped
T01 << 1462352645.97247291 Distribute overlap matrix (627.05481s) stopped
T01 >> 1462352645.97308493 Blacs Orbital Layouts (1485.85459s) started
T01 >> 1462352645.97454095 General diagonalize (1456.16101s) started
T01 << 1462352648.69600201 General diagonalize (1458.88248s) stopped
T01 >> 1462352648.69606495 Redistribute coefs (1.60858s) started
T01 << 1462352648.69864106 Redistribute coefs (1.61116s) stopped
T01 >> 1462352648.69872689 Send coefs to domains (27.26325s) started
T01 << 1462352648.74910688 Send coefs to domains (27.31363s) stopped
T01 << 1462352648.74944711 Blacs Orbital Layouts (1488.63096s) stopped
T01 >> 1462352648.74949789 Calculate projections (1359.61246s) started
T01 << 1462352651.19223309 Calculate projections (1362.05520s) stopped
T01 << 1462352651.19251299 LCAO eigensolver (4337.96641s) stopped
T01 >> 1462352651.19340110 Density (1061.45007s) started
T01 >> 1462352651.19341302 Pseudo density (877.90202s) started
T01 >> 1462352651.19386196 Calculate density matrix (789.08550s) started
T01 << 1462352652.85271096 Calculate density matrix (790.74435s) stopped
T01 >> 1462352652.85280395 Construct density (87.58041s) started
T01 << 1462352653.03099990 Construct density (87.75860s) stopped
T01 >> 1462352653.03257895 Symmetrize density (0.02227s) started
T01 << 1462352653.03261209 Symmetrize density (0.02231s) stopped
T01 << 1462352653.03305602 Pseudo density (879.74166s) stopped
T01 >> 1462352653.03307509 Atomic density matrices (121.73233s) started
T01 << 1462352653.28002596 Atomic density matrices (121.97928s) stopped
T01 >> 1462352653.28006911 Multipole moments (1.97388s) started
T01 << 1462352653.28416204 Multipole moments (1.97797s) stopped
T01 >> 1462352653.28418398 Normalize (0.54555s) started
T01 << 1462352653.28523707 Normalize (0.54660s) stopped
T01 >> 1462352653.28527093 Mix (59.26254s) started
T01 << 1462352653.40597105 Mix (59.38324s) stopped
T01 << 1462352653.40606594 Density (1063.66273s) stopped
T01 >> 1462352653.40615201 Hamiltonian (12025.62463s) started
T01 >> 1462352653.40616989 vbar (7.19391s) started
T01 << 1462352653.42214298 vbar (7.20989s) stopped
T01 >> 1462352653.42224193 XC 3D grid (5214.01336s) started
T01 >> 1462352653.59872890 van der Waals (5032.52981s) started
T01 >> 1462352653.64159989 semilocal (1133.43952s) started
T01 << 1462352655.86661005 semilocal (1135.66453s) stopped
T01 >> 1462352655.89741707 redistribute (549.84464s) started
T01 << 1462352656.27303410 redistribute (550.22026s) stopped
T01 >> 1462352656.27310109 libvdwxc nonlocal (3310.72476s) started
T01 << 1462352662.98987103 libvdwxc nonlocal (3317.44153s) stopped
T01 >> 1462352662.98993492 redistribute (550.22029s) started
T01 << 1462352663.63429594 redistribute (550.86465s) stopped
T01 << 1462352663.63528204 van der Waals (5042.56637s) stopped
T01 << 1462352663.81475091 XC 3D grid (5224.40587s) stopped
T01 >> 1462352663.81480503 Poisson (1070.33718s) started
T01 << 1462352665.61454892 Poisson (1072.13692s) stopped
T01 >> 1462352665.61467791 Hartree integrate/restrict (41.31099s) started
T01 << 1462352665.63370109 Hartree integrate/restrict (41.33001s) stopped
T01 >> 1462352665.63389397 Hartree integrate/restrict (41.33014s) started
T01 << 1462352665.69529605 Hartree integrate/restrict (41.39155s) stopped
T01 >> 1462352665.71858597 Atomic (3218.09988s) started
T01 >> 1462352665.72828102 XC Correction (3211.48758s) started
T01 << 1462352671.84429407 XC Correction (3217.60359s) stopped
T01 << 1462352671.84730792 Atomic (3224.22860s) stopped
T01 >> 1462352671.84740806 Communicate (2463.84277s) started
T01 << 1462352677.19961500 Communicate (2469.19497s) stopped
T01 << 1462352677.19964695 Hamiltonian (12049.41812s) stopped
T01 >> 1462352677.19972110 LCAO eigensolver (4337.96643s) started
T01 >> 1462352677.19973397 Potential matrix (139.39525s) started
T01 << 1462352677.46472597 Potential matrix (139.66024s) stopped
T01 >> 1462352677.46479797 DistributedAtomicCorrection (720.37152s) started
T01 << 1462352678.77543497 DistributedAtomicCorrection (721.68215s) stopped
T01 >> 1462352678.77549195 Distribute overlap matrix (627.05482s) started
T01 >> 1462352678.77551293 blocked summation (594.54063s) started
T01 << 1462352679.97489810 blocked summation (595.74001s) stopped
T01 >> 1462352679.97737908 Scalapack redistribute (31.66363s) started
T01 << 1462352680.03454208 Scalapack redistribute (31.72079s) stopped
T01 << 1462352680.03462195 Distribute overlap matrix (628.31395s) stopped
T01 >> 1462352680.03523207 Blacs Orbital Layouts (1488.63097s) started
T01 >> 1462352680.03665996 General diagonalize (1458.88251s) started
T01 << 1462352682.76507711 General diagonalize (1461.61093s) stopped
T01 >> 1462352682.76514101 Redistribute coefs (1.61119s) started
T01 << 1462352682.76771808 Redistribute coefs (1.61377s) stopped
T01 >> 1462352682.76779890 Send coefs to domains (27.31367s) started
T01 << 1462352682.81790495 Send coefs to domains (27.36378s) stopped
T01 << 1462352682.81823111 Blacs Orbital Layouts (1491.41397s) stopped
T01 >> 1462352682.81828594 Calculate projections (1362.05525s) started
T01 << 1462352685.26076508 Calculate projections (1364.49773s) stopped
T01 << 1462352685.26120090 LCAO eigensolver (4346.02791s) stopped
T01 >> 1462352685.26192904 Density (1063.66275s) started
T01 >> 1462352685.26194096 Pseudo density (879.74168s) started
T01 >> 1462352685.26238704 Calculate density matrix (790.74439s) started
T01 << 1462352686.92297792 Calculate density matrix (792.40498s) stopped
T01 >> 1462352686.92306900 Construct density (87.75864s) started
T01 << 1462352687.10155392 Construct density (87.93712s) stopped
T01 >> 1462352687.10298300 Symmetrize density (0.02232s) started
T01 << 1462352687.10301590 Symmetrize density (0.02235s) stopped
T01 << 1462352687.10346103 Pseudo density (881.58320s) stopped
T01 >> 1462352687.10348105 Atomic density matrices (121.97931s) started
T01 << 1462352687.35124803 Atomic density matrices (122.22708s) stopped
T01 >> 1462352687.35128808 Multipole moments (1.97798s) started
T01 << 1462352687.35544300 Multipole moments (1.98214s) stopped
T01 >> 1462352687.35546589 Normalize (0.54662s) started
T01 << 1462352687.35651493 Normalize (0.54767s) stopped
T01 >> 1462352687.35654712 Mix (59.38333s) started
T01 << 1462352687.47578907 Mix (59.50258s) stopped
T01 << 1462352687.47588611 Density (1065.87671s) stopped
T01 >> 1462352687.47597289 Hamiltonian (12049.41813s) started
T01 >> 1462352687.47599196 vbar (7.20994s) started
T01 << 1462352687.49226499 vbar (7.22622s) stopped
T01 >> 1462352687.49233603 XC 3D grid (5224.40591s) started
T01 >> 1462352687.66649008 van der Waals (5042.56641s) started
T01 >> 1462352687.70993996 semilocal (1135.66458s) started
T01 << 1462352689.91152310 semilocal (1137.86616s) stopped
T01 >> 1462352689.94461703 redistribute (550.86470s) started
T01 << 1462352690.33794308 redistribute (551.25802s) stopped
T01 >> 1462352690.33800793 libvdwxc nonlocal (3317.44157s) started
T01 << 1462352697.07113910 libvdwxc nonlocal (3324.17470s) stopped
T01 >> 1462352697.07121897 redistribute (551.25806s) started
T01 << 1462352697.72431111 redistribute (551.91115s) stopped
T01 << 1462352697.72534394 van der Waals (5052.62527s) stopped
T01 << 1462352697.90737605 XC 3D grid (5234.82095s) stopped
T01 >> 1462352697.90742707 Poisson (1072.13702s) started
T01 << 1462352699.70765591 Poisson (1073.93725s) stopped
T01 >> 1462352699.70773101 Hartree integrate/restrict (41.39158s) started
T01 << 1462352699.72694302 Hartree integrate/restrict (41.41079s) stopped
T01 >> 1462352699.72701406 Hartree integrate/restrict (41.41084s) started
T01 << 1462352699.78836298 Hartree integrate/restrict (41.47219s) stopped
T01 >> 1462352699.80846310 Atomic (3224.22862s) started
T01 >> 1462352699.81815195 XC Correction (3217.60361s) started
T01 << 1462352705.93612909 XC Correction (3223.72159s) stopped
T01 << 1462352705.93912911 Atomic (3230.35929s) stopped
T01 >> 1462352705.93923092 Communicate (2469.19499s) started
T01 << 1462352711.30345798 Communicate (2474.55922s) stopped
T01 << 1462352711.30349994 Hamiltonian (12073.24566s) stopped
T01 >> 1462352711.30358696 LCAO eigensolver (4346.02793s) started
T01 >> 1462352711.30360103 Potential matrix (139.66028s) started
T01 << 1462352711.56640911 Potential matrix (139.92309s) stopped
T01 >> 1462352711.56648302 DistributedAtomicCorrection (721.68219s) started
T01 << 1462352712.87577009 DistributedAtomicCorrection (722.99148s) stopped
T01 >> 1462352712.87582588 Distribute overlap matrix (628.31397s) started
T01 >> 1462352712.87584805 blocked summation (595.74005s) started
T01 << 1462352714.09240603 blocked summation (596.95661s) stopped
T01 >> 1462352714.09437299 Scalapack redistribute (31.72082s) started
T01 << 1462352714.15343690 Scalapack redistribute (31.77989s) stopped
T01 << 1462352714.15351605 Distribute overlap matrix (629.59166s) stopped
T01 >> 1462352714.15412807 Blacs Orbital Layouts (1491.41399s) started
T01 >> 1462352714.15555596 General diagonalize (1461.61097s) started
T01 << 1462352716.89504600 General diagonalize (1464.35046s) stopped
T01 >> 1462352716.89510989 Redistribute coefs (1.61381s) started
T01 << 1462352716.89763689 Redistribute coefs (1.61633s) stopped
T01 >> 1462352716.89772391 Send coefs to domains (27.36382s) started
T01 << 1462352716.94773197 Send coefs to domains (27.41383s) stopped
T01 << 1462352716.94805098 Blacs Orbital Layouts (1494.20791s) stopped
T01 >> 1462352716.94810390 Calculate projections (1364.49778s) started
T01 << 1462352719.39071989 Calculate projections (1366.94040s) stopped
T01 << 1462352719.39099097 LCAO eigensolver (4354.11533s) stopped
T01 >> 1462352719.39169693 Density (1065.87673s) started
T01 >> 1462352719.39170909 Pseudo density (881.58321s) started
T01 >> 1462352719.39215589 Calculate density matrix (792.40502s) started
T01 << 1462352721.05189204 Calculate density matrix (794.06476s) stopped
T01 >> 1462352721.05198193 Construct density (87.93715s) started
T01 << 1462352721.23009706 Construct density (88.11527s) stopped
T01 >> 1462352721.23152709 Symmetrize density (0.02236s) started
T01 << 1462352721.23155999 Symmetrize density (0.02239s) stopped
T01 << 1462352721.23201203 Pseudo density (883.42351s) stopped
T01 >> 1462352721.23203111 Atomic density matrices (122.22710s) started
T01 << 1462352721.48005605 Atomic density matrices (122.47513s) stopped
T01 >> 1462352721.48009896 Multipole moments (1.98215s) started
T01 << 1462352721.48422289 Multipole moments (1.98628s) stopped
T01 >> 1462352721.48424506 Normalize (0.54769s) started
T01 << 1462352721.48532009 Normalize (0.54877s) stopped
T01 >> 1462352721.48535299 Mix (59.50267s) started
T01 << 1462352721.60547400 Mix (59.62279s) stopped
T01 << 1462352721.60557199 Density (1068.09060s) stopped
T01 >> 1462352721.60566306 Hamiltonian (12073.24568s) started
T01 >> 1462352721.60568094 vbar (7.22626s) started
T01 << 1462352721.62182903 vbar (7.24240s) stopped
T01 >> 1462352721.62190700 XC 3D grid (5234.82099s) started
T01 >> 1462352721.79269409 van der Waals (5052.62532s) started
T01 >> 1462352721.83475900 semilocal (1137.86626s) started
T01 << 1462352724.05091405 semilocal (1140.08242s) stopped
T01 >> 1462352724.08351707 redistribute (551.91120s) started
T01 << 1462352724.48442793 redistribute (552.31211s) stopped
T01 >> 1462352724.48449397 libvdwxc nonlocal (3324.17476s) started
T01 << 1462352731.17869997 libvdwxc nonlocal (3330.86896s) stopped
T01 >> 1462352731.17878604 redistribute (552.31215s) started
T01 << 1462352731.83746409 redistribute (552.97082s) stopped
T01 << 1462352731.83831096 van der Waals (5062.67094s) stopped
T01 << 1462352732.02063394 XC 3D grid (5245.21971s) stopped
T01 >> 1462352732.02068710 Poisson (1073.93730s) started
T01 << 1462352733.82088995 Poisson (1075.73751s) stopped
T01 >> 1462352733.82096004 Hartree integrate/restrict (41.47224s) started
T01 << 1462352733.84007502 Hartree integrate/restrict (41.49135s) stopped
T01 >> 1462352733.84012008 Hartree integrate/restrict (41.49139s) started
T01 << 1462352733.90165591 Hartree integrate/restrict (41.55292s) stopped
T01 >> 1462352733.92154598 Atomic (3230.35930s) started
T01 >> 1462352733.93126202 XC Correction (3223.72161s) started
T01 << 1462352740.06280899 XC Correction (3229.85316s) stopped
T01 << 1462352740.06581497 Atomic (3236.50357s) stopped
T01 >> 1462352740.06591606 Communicate (2474.55925s) started
T01 << 1462352745.44227600 Communicate (2479.93561s) stopped
T01 << 1462352745.44230604 Hamiltonian (12097.08232s) stopped
T01 >> 1462352745.44237900 LCAO eigensolver (4354.11535s) started
T01 >> 1462352745.44239211 Potential matrix (139.92313s) started
T01 << 1462352745.70672011 Potential matrix (140.18745s) stopped
T01 >> 1462352745.70679307 DistributedAtomicCorrection (722.99151s) started
T01 << 1462352747.02266097 DistributedAtomicCorrection (724.30738s) stopped
T01 >> 1462352747.02271700 Distribute overlap matrix (629.59167s) started
T01 >> 1462352747.02273893 blocked summation (596.95665s) started
T01 << 1462352748.21224904 blocked summation (598.14616s) stopped
T01 >> 1462352748.21406102 Scalapack redistribute (31.77992s) started
T01 << 1462352748.27221608 Scalapack redistribute (31.83808s) stopped
T01 << 1462352748.27229691 Distribute overlap matrix (630.84125s) stopped
T01 >> 1462352748.27288103 Blacs Orbital Layouts (1494.20793s) started
T01 >> 1462352748.27428508 General diagonalize (1464.35050s) started
T01 << 1462352751.02490091 General diagonalize (1467.10112s) stopped
T01 >> 1462352751.02496409 Redistribute coefs (1.61637s) started
T01 << 1462352751.02865195 Redistribute coefs (1.62006s) stopped
T01 >> 1462352751.02870011 Send coefs to domains (27.41388s) started
T01 << 1462352751.07740307 Send coefs to domains (27.46258s) stopped
T01 << 1462352751.07774401 Blacs Orbital Layouts (1497.01280s) stopped
T01 >> 1462352751.07779694 Calculate projections (1366.94045s) started
T01 << 1462352753.52025390 Calculate projections (1369.38291s) stopped
T01 << 1462352753.52052689 LCAO eigensolver (4362.19350s) stopped
T01 >> 1462352753.52142596 Density (1068.09062s) started
T01 >> 1462352753.52143788 Pseudo density (883.42353s) started
T01 >> 1462352753.52189302 Calculate density matrix (794.06480s) started
T01 << 1462352755.18044901 Calculate density matrix (795.72336s) stopped
T01 >> 1462352755.18053699 Construct density (88.11530s) started
T01 << 1462352755.35861111 Construct density (88.29338s) stopped
T01 >> 1462352755.36022496 Symmetrize density (0.02240s) started
T01 << 1462352755.36025810 Symmetrize density (0.02244s) stopped
T01 << 1462352755.36071110 Pseudo density (885.26280s) stopped
T01 >> 1462352755.36073089 Atomic density matrices (122.47516s) started
T01 << 1462352755.60877800 Atomic density matrices (122.72320s) stopped
T01 >> 1462352755.60881805 Multipole moments (1.98629s) started
T01 << 1462352755.61293411 Multipole moments (1.99041s) stopped
T01 >> 1462352755.61295700 Normalize (0.54879s) started
T01 << 1462352755.61401892 Normalize (0.54985s) stopped
T01 >> 1462352755.61405206 Mix (59.62289s) started
T01 << 1462352755.73387504 Mix (59.74271s) stopped
T01 << 1462352755.73395801 Density (1070.30315s) stopped
T01 >> 1462352755.73404193 Hamiltonian (12097.08233s) started
T01 >> 1462352755.73405910 vbar (7.24245s) started
T01 << 1462352755.75032401 vbar (7.25871s) stopped
T01 >> 1462352755.75040507 XC 3D grid (5245.21975s) started
T01 >> 1462352755.92808008 van der Waals (5062.67098s) started
T01 >> 1462352755.97140598 semilocal (1140.08252s) started
T01 << 1462352758.19687796 semilocal (1142.30799s) stopped
T01 >> 1462352758.22834897 redistribute (552.97087s) started
T01 << 1462352758.61119795 redistribute (553.35372s) stopped
T01 >> 1462352758.61126494 libvdwxc nonlocal (3330.86902s) started
T01 << 1462352765.29343796 libvdwxc nonlocal (3337.55120s) stopped
T01 >> 1462352765.29349899 redistribute (553.35376s) started
T01 << 1462352765.95066690 redistribute (554.01093s) stopped
T01 << 1462352765.95170093 van der Waals (5072.69460s) stopped
T01 << 1462352766.13358498 XC 3D grid (5255.60293s) stopped
T01 >> 1462352766.13364506 Poisson (1075.73756s) started
T01 << 1462352767.93643808 Poisson (1077.54036s) stopped
T01 >> 1462352767.93656993 Hartree integrate/restrict (41.55296s) started
T01 << 1462352767.95551109 Hartree integrate/restrict (41.57190s) stopped
T01 >> 1462352767.95566297 Hartree integrate/restrict (41.57201s) started
T01 << 1462352768.01722908 Hartree integrate/restrict (41.63358s) stopped
T01 >> 1462352768.03954792 Atomic (3236.50359s) started
T01 >> 1462352768.04963207 XC Correction (3229.85319s) started
T01 << 1462352774.24327993 XC Correction (3236.04683s) stopped
T01 << 1462352774.24631691 Atomic (3242.71036s) stopped
T01 >> 1462352774.24641800 Communicate (2479.93563s) started
T01 << 1462352779.50867891 Communicate (2485.19789s) stopped
T01 << 1462352779.50870800 Hamiltonian (12120.85700s) stopped
T01 >> 1462352779.50878096 LCAO eigensolver (4362.19352s) started
T01 >> 1462352779.50879407 Potential matrix (140.18749s) started
T01 << 1462352779.77275491 Potential matrix (140.45145s) stopped
T01 >> 1462352779.77282810 DistributedAtomicCorrection (724.30742s) started
T01 << 1462352781.10900497 DistributedAtomicCorrection (725.64360s) stopped
T01 >> 1462352781.10906100 Distribute overlap matrix (630.84126s) started
T01 >> 1462352781.10908198 blocked summation (598.14620s) started
T01 << 1462352782.28073907 blocked summation (599.31785s) stopped
T01 >> 1462352782.28278804 Scalapack redistribute (31.83811s) started
T01 << 1462352782.34028506 Scalapack redistribute (31.89561s) stopped
T01 << 1462352782.34036589 Distribute overlap matrix (632.07257s) stopped
T01 >> 1462352782.34098411 Blacs Orbital Layouts (1497.01281s) started
T01 >> 1462352782.34239602 General diagonalize (1467.10115s) started
T01 << 1462352785.11095095 General diagonalize (1469.86971s) stopped
T01 >> 1462352785.11101389 Redistribute coefs (1.62010s) started
T01 << 1462352785.11385703 Redistribute coefs (1.62294s) stopped
T01 >> 1462352785.11394095 Send coefs to domains (27.46262s) started
T01 << 1462352785.16353011 Send coefs to domains (27.51221s) stopped
T01 << 1462352785.16391110 Blacs Orbital Layouts (1499.83574s) stopped
T01 >> 1462352785.16396403 Calculate projections (1369.38296s) started
T01 << 1462352787.60644698 Calculate projections (1371.82544s) stopped
T01 << 1462352787.60688806 LCAO eigensolver (4370.29163s) stopped
T01 >> 1462352787.60760593 Density (1070.30317s) started
T01 >> 1462352787.60761905 Pseudo density (885.26281s) started
T01 >> 1462352787.60807490 Calculate density matrix (795.72340s) started
T01 << 1462352789.26471210 Calculate density matrix (797.38004s) stopped
T01 >> 1462352789.26480389 Construct density (88.29341s) started
T01 << 1462352789.44332194 Construct density (88.47193s) stopped
T01 >> 1462352789.44476604 Symmetrize density (0.02245s) started
T01 << 1462352789.44479895 Symmetrize density (0.02248s) stopped
T01 << 1462352789.44524097 Pseudo density (887.10044s) stopped
T01 >> 1462352789.44526100 Atomic density matrices (122.72323s) started
T01 << 1462352789.69313908 Atomic density matrices (122.97111s) stopped
T01 >> 1462352789.69318104 Multipole moments (1.99042s) started
T01 << 1462352789.69731307 Multipole moments (1.99456s) stopped
T01 >> 1462352789.69733500 Normalize (0.54988s) started
T01 << 1462352789.69838905 Normalize (0.55093s) stopped
T01 >> 1462352789.69842196 Mix (59.74279s) started
T01 << 1462352789.81826210 Mix (59.86263s) stopped
T01 << 1462352789.81836390 Density (1072.51393s) stopped
T01 >> 1462352789.81844211 Hamiltonian (12120.85701s) started
T01 >> 1462352789.81845999 vbar (7.25876s) started
T01 << 1462352789.83467293 vbar (7.27497s) stopped
T01 >> 1462352789.83478594 XC 3D grid (5255.60298s) started
T01 >> 1462352790.01187205 van der Waals (5072.69462s) started
T01 >> 1462352790.05606198 semilocal (1142.30807s) started
T01 << 1462352792.28340602 semilocal (1144.53541s) stopped
T01 >> 1462352792.31522608 redistribute (554.01097s) started
T01 << 1462352792.69846106 redistribute (554.39421s) stopped
T01 >> 1462352792.69852805 libvdwxc nonlocal (3337.55123s) started
T01 << 1462352799.40491390 libvdwxc nonlocal (3344.25762s) stopped
T01 >> 1462352799.40499902 redistribute (554.39424s) started
T01 << 1462352800.07137704 redistribute (555.06062s) stopped
T01 << 1462352800.07254910 van der Waals (5082.75530s) stopped
T01 << 1462352800.24658203 XC 3D grid (5266.01477s) stopped
T01 >> 1462352800.24664593 Poisson (1077.54046s) started
T01 << 1462352801.45663190 Poisson (1078.75045s) stopped
T01 >> 1462352801.45671201 Hartree integrate/restrict (41.63364s) started
T01 << 1462352801.47597694 Hartree integrate/restrict (41.65291s) stopped
T01 >> 1462352801.47603703 Hartree integrate/restrict (41.65295s) started
T01 << 1462352801.53864908 Hartree integrate/restrict (41.71556s) stopped
T01 >> 1462352801.55999994 Atomic (3242.71038s) started
T01 >> 1462352801.56999207 XC Correction (3236.04686s) started
T01 << 1462352807.71358991 XC Correction (3242.19046s) stopped
T01 << 1462352807.71662998 Atomic (3248.86701s) stopped
T01 >> 1462352807.71673203 Communicate (2485.19791s) started
T01 << 1462352813.01221204 Communicate (2490.49339s) stopped
T01 << 1462352813.01223993 Hamiltonian (12144.05081s) stopped
T01 >> 1462352813.01231194 LCAO eigensolver (4370.29165s) started
T01 >> 1462352813.01232505 Potential matrix (140.45149s) started
T01 << 1462352813.27560306 Potential matrix (140.71477s) stopped
T01 >> 1462352813.27568007 DistributedAtomicCorrection (725.64363s) started
T01 << 1462352814.60895109 DistributedAtomicCorrection (726.97690s) stopped
T01 >> 1462352814.60900593 Distribute overlap matrix (632.07258s) started
T01 >> 1462352814.60902810 blocked summation (599.31789s) started
T01 << 1462352815.77962708 blocked summation (600.48849s) stopped
T01 >> 1462352815.78129196 Scalapack redistribute (31.89565s) started
T01 << 1462352815.83886409 Scalapack redistribute (31.95322s) stopped
T01 << 1462352815.83894491 Distribute overlap matrix (633.30252s) stopped
T01 >> 1462352815.83954406 Blacs Orbital Layouts (1499.83576s) started
T01 >> 1462352815.84092307 General diagonalize (1469.86975s) started
T01 << 1462352818.57867789 General diagonalize (1472.60750s) stopped
T01 >> 1462352818.57874203 Redistribute coefs (1.62297s) started
T01 << 1462352818.58244205 Redistribute coefs (1.62667s) stopped
T01 >> 1462352818.58248806 Send coefs to domains (27.51231s) started
T01 << 1462352818.63125801 Send coefs to domains (27.56108s) stopped
T01 << 1462352818.63156700 Blacs Orbital Layouts (1502.62778s) stopped
T01 >> 1462352818.63162589 Calculate projections (1371.82550s) started
T01 << 1462352821.07408690 Calculate projections (1374.26796s) stopped
T01 << 1462352821.07436299 LCAO eigensolver (4378.35370s) stopped
T01 >> 1462352821.07509708 Density (1072.51394s) started
T01 >> 1462352821.07510900 Pseudo density (887.10045s) started
T01 >> 1462352821.07555604 Calculate density matrix (797.38008s) started
T01 << 1462352822.73187590 Calculate density matrix (799.03640s) stopped
T01 >> 1462352822.73196602 Construct density (88.47196s) started
T01 << 1462352822.91002011 Construct density (88.65002s) stopped
T01 >> 1462352822.91237092 Symmetrize density (0.02250s) started
T01 << 1462352822.91240311 Symmetrize density (0.02253s) stopped
T01 << 1462352822.91285610 Pseudo density (888.93820s) stopped
T01 >> 1462352822.91287589 Atomic density matrices (122.97114s) started
T01 << 1462352823.15949702 Atomic density matrices (123.21776s) stopped
T01 >> 1462352823.15953898 Multipole moments (1.99457s) started
T01 << 1462352823.16371703 Multipole moments (1.99875s) stopped
T01 >> 1462352823.16374207 Normalize (0.55096s) started
T01 << 1462352823.16480398 Normalize (0.55202s) stopped
T01 >> 1462352823.16483593 Mix (59.86273s) started
T01 << 1462352823.28365993 Mix (59.98155s) stopped
T01 << 1462352823.28373408 Density (1074.72258s) stopped
T01 >> 1462352823.28383803 Hamiltonian (12144.05082s) started
T01 >> 1462352823.28385711 vbar (7.27504s) started
T01 << 1462352823.30049396 vbar (7.29168s) stopped
T01 >> 1462352823.30060506 XC 3D grid (5266.01482s) started
T01 >> 1462352823.47127199 van der Waals (5082.75534s) started
T01 >> 1462352823.51346898 semilocal (1144.53554s) started
T01 << 1462352825.72936392 semilocal (1146.75144s) stopped
T01 >> 1462352825.76116800 redistribute (555.06075s) started
T01 << 1462352826.15506101 redistribute (555.45464s) stopped
T01 >> 1462352826.15512800 libvdwxc nonlocal (3344.25768s) started
T01 << 1462352832.84620404 libvdwxc nonlocal (3350.94875s) stopped
T01 >> 1462352832.84628510 redistribute (555.45468s) started
T01 << 1462352833.51068997 redistribute (556.11909s) stopped
T01 << 1462352833.51216412 van der Waals (5092.79624s) stopped
T01 << 1462352833.68391204 XC 3D grid (5276.39813s) stopped
T01 >> 1462352833.68397188 Poisson (1078.75051s) started
T01 << 1462352834.89467311 Poisson (1079.96121s) stopped
T01 >> 1462352834.89473605 Hartree integrate/restrict (41.71560s) started
T01 << 1462352834.91401505 Hartree integrate/restrict (41.73488s) stopped
T01 >> 1462352834.91408110 Hartree integrate/restrict (41.73492s) started
T01 << 1462352834.97602391 Hartree integrate/restrict (41.79686s) stopped
T01 >> 1462352834.99791789 Atomic (3248.86703s) started
T01 >> 1462352835.00812793 XC Correction (3242.19048s) started
T01 << 1462352841.22598505 XC Correction (3248.40834s) stopped
T01 << 1462352841.22903109 Atomic (3255.09814s) stopped
T01 >> 1462352841.22913694 Communicate (2490.49341s) started
T01 << 1462352846.46582198 Communicate (2495.73009s) stopped
T01 << 1462352846.46585011 Hamiltonian (12167.23284s) stopped
T01 >> 1462352846.46591997 LCAO eigensolver (4378.35372s) started
T01 >> 1462352846.46593308 Potential matrix (140.71481s) started
T01 << 1462352846.72939491 Potential matrix (140.97827s) stopped
T01 >> 1462352846.72946692 DistributedAtomicCorrection (726.97694s) started
T01 << 1462352848.05610204 DistributedAtomicCorrection (728.30358s) stopped
T01 >> 1462352848.05615902 Distribute overlap matrix (633.30253s) started
T01 >> 1462352848.05618000 blocked summation (600.48853s) started
T01 << 1462352849.23338103 blocked summation (601.66574s) stopped
T01 >> 1462352849.23507404 Scalapack redistribute (31.95325s) started
T01 << 1462352849.29328704 Scalapack redistribute (32.01147s) stopped
T01 << 1462352849.29341102 Distribute overlap matrix (634.53978s) stopped
T01 >> 1462352849.29401398 Blacs Orbital Layouts (1502.62780s) started
T01 >> 1462352849.29550791 General diagonalize (1472.60754s) started
T01 << 1462352852.03492498 General diagonalize (1475.34696s) stopped
T01 >> 1462352852.03499007 Redistribute coefs (1.62671s) started
T01 << 1462352852.03870893 Redistribute coefs (1.63043s) stopped
T01 >> 1462352852.03875589 Send coefs to domains (27.56112s) started
T01 << 1462352852.08832192 Send coefs to domains (27.61068s) stopped
T01 << 1462352852.08866191 Blacs Orbital Layouts (1505.42245s) stopped
T01 >> 1462352852.08871198 Calculate projections (1374.26801s) started
T01 << 1462352854.53117394 Calculate projections (1376.71047s) stopped
T01 << 1462352854.53144598 LCAO eigensolver (4386.41924s) stopped
T01 << 1462352854.53233099 SCF-cycle (17628.82895s) stopped
T01 >> 1462352855.49413896 Force calculation (950.80385s) started
T01 >> 1462352855.49419904 LCAO forces (592.48083s) started
T01 >> 1462352855.49455190 Initial (0.00071s) started
T01 << 1462352855.49456310 Initial (0.00072s) stopped
T01 >> 1462352855.49879789 Get density matrix (115.50837s) started
T01 << 1462352856.10630989 Get density matrix (116.11588s) stopped
T01 >> 1462352856.10639095 Potential (42.45756s) started
T01 << 1462352857.50631404 Potential (43.85749s) stopped
T01 >> 1462352857.50637794 Get density matrix (116.11591s) started
T01 << 1462352860.81227207 Get density matrix (119.42181s) stopped
T01 >> 1462352860.81241488 Prepare TCI loop (58.78480s) started
T01 >> 1462352860.81289101 Get neighbors (53.95423s) started
T01 << 1462352862.61706805 Get neighbors (55.75840s) stopped
T01 >> 1462352862.61728811 broadcast dH (4.80959s) started
T01 << 1462352862.62718606 broadcast dH (4.81949s) stopped
T01 << 1462352862.62723088 Prepare TCI loop (60.59962s) stopped
T01 >> 1462352862.62724900 Not so complicated loop (83.22873s) started
T01 << 1462352865.43102598 Not so complicated loop (86.03251s) stopped
T01 >> 1462352865.55788898 Complicated loop (288.31261s) started
T01 << 1462352875.09251189 Complicated loop (297.84723s) stopped
T01 >> 1462352875.10573006 Wait for sum (0.00172s) started
T01 << 1462352875.10577607 Wait for sum (0.00177s) stopped
T01 << 1462352875.10578895 LCAO forces (612.09242s) stopped
T01 << 1462352888.08226490 Force calculation (983.39198s) stopped
T01 >> 1462352888.09988809 Initialization (1598.52514s) started
T01 << 1462352888.10006499 Initialization (1598.52531s) stopped
T01 >> 1462352888.10029411 Initialization (1598.52533s) started
T01 << 1462352888.10042095 Initialization (1598.52546s) stopped
T01 >> 1462352888.10054994 Initialization (1598.52547s) started
T01 << 1462352888.10067892 Initialization (1598.52560s) stopped
T01 >> 1462352908.43560505 Initialization (1598.52562s) started
T01 >> 1462352908.56374502 Basic WFS set positions (3.07955s) started
T01 >> 1462352908.56377101 Redistribute (0.05269s) started
T01 << 1462352908.56865311 Redistribute (0.05757s) stopped
T01 << 1462352908.66698599 Basic WFS set positions (3.18279s) stopped
T01 >> 1462352908.66701603 Basis functions set positions (13.24498s) started
T01 << 1462352909.07222199 Basis functions set positions (13.65019s) stopped
T01 >> 1462352909.07312107 TCI: Calculate S, T, P (479.35256s) started
T01 << 1462352924.16832995 TCI: Calculate S, T, P (494.44777s) stopped
T01 >> 1462352924.16840196 blocked summation (126.01987s) started
T01 << 1462352928.11027193 blocked summation (129.96174s) stopped
T01 >> 1462352928.11170506 Scalapack redistribute (7.49701s) started
T01 << 1462352928.17140388 Scalapack redistribute (7.55671s) stopped
T01 >> 1462352928.17191792 blocked summation (129.96178s) started
T01 << 1462352928.33978391 blocked summation (130.12965s) stopped
T01 >> 1462352928.34151506 Scalapack redistribute (7.55678s) started
T01 << 1462352928.54188299 Scalapack redistribute (7.75715s) stopped
T01 >> 1462352928.54327202 Redistribute (0.06332s) started
T01 << 1462352928.54424691 Redistribute (0.06430s) stopped
T01 >> 1462352929.44708490 Redistribute (0.06432s) started
T01 << 1462352929.44825912 Redistribute (0.06549s) stopped
T01 >> 1462352929.45880008 LCAO WFS Initialize (935.60813s) started
T01 >> 1462352929.45883012 Density initialize from wavefunctions (37.65526s) started
T01 >> 1462352929.45923495 Calculate density matrix (21.84792s) started
T01 << 1462352930.16084003 Calculate density matrix (22.54953s) stopped
T01 >> 1462352930.16090298 Construct density (5.36863s) started
T01 << 1462352930.33959699 Construct density (5.54732s) stopped
T01 >> 1462352930.34119010 Symmetrize density (0.00133s) started
T01 << 1462352930.34122396 Symmetrize density (0.00137s) stopped
T01 << 1462352930.68056798 Density initialize from wavefunctions (38.87699s) stopped
T01 >> 1462352930.68113399 Hamiltonian (897.73966s) started
T01 >> 1462352930.68117094 vbar (0.46517s) started
T01 << 1462352930.69756007 vbar (0.48156s) stopped
T01 >> 1462352930.69766092 XC 3D grid (328.31732s) started
T01 >> 1462352930.86959791 van der Waals (316.92327s) started
T01 >> 1462352930.91495204 semilocal (70.92623s) started
T01 << 1462352933.12025189 semilocal (73.13153s) stopped
T01 >> 1462352933.15222907 redistribute (34.26870s) started
T01 << 1462352933.55271101 redistribute (34.66918s) stopped
T01 >> 1462352933.55276108 libvdwxc nonlocal (209.30461s) started
T01 << 1462352940.25998807 libvdwxc nonlocal (216.01183s) stopped
T01 >> 1462352940.26007104 redistribute (34.66922s) started
T01 << 1462352940.90879607 redistribute (35.31795s) stopped
T01 << 1462352940.91002202 van der Waals (326.96370s) stopped
T01 << 1462352941.09268808 XC 3D grid (338.71234s) stopped
T01 >> 1462352941.09274793 Poisson (151.87490s) started
T01 << 1462352945.81071806 Poisson (156.59287s) stopped
T01 >> 1462352945.81080699 Hartree integrate/restrict (2.56510s) started
T01 << 1462352945.82997799 Hartree integrate/restrict (2.58427s) stopped
T01 >> 1462352945.83004308 Hartree integrate/restrict (2.58432s) started
T01 << 1462352945.89668107 Hartree integrate/restrict (2.65095s) stopped
T01 >> 1462352945.91375589 Atomic (213.29745s) started
T01 >> 1462352945.92423606 XC Correction (212.87185s) started
T01 << 1462352952.36610198 XC Correction (219.31371s) stopped
T01 << 1462352952.36916900 Atomic (219.75286s) stopped
T01 >> 1462352952.36937594 Communicate (200.51740s) started
T01 << 1462352959.12333488 Communicate (207.27136s) stopped
T01 << 1462352959.12336493 Hamiltonian (926.18189s) stopped
T01 << 1462352959.12341595 LCAO WFS Initialize (965.27274s) stopped
T01 << 1462352959.13576603 Initialization (1649.22578s) stopped
T01 >> 1462352959.16102099 SCF-cycle (17628.82897s) started
T01 >> 1462352959.16106296 LCAO eigensolver (4386.41926s) started
T01 >> 1462352959.16107607 Potential matrix (140.97831s) started
T01 << 1462352959.42720103 Potential matrix (141.24443s) stopped
T01 >> 1462352959.42727590 DistributedAtomicCorrection (728.30361s) started
T01 << 1462352960.77766109 DistributedAtomicCorrection (729.65400s) stopped
T01 >> 1462352960.77771997 Distribute overlap matrix (634.53979s) started
T01 >> 1462352960.77774310 blocked summation (601.66578s) started
T01 << 1462352961.91113091 blocked summation (602.79917s) stopped
T01 >> 1462352961.91254902 Scalapack redistribute (32.01153s) started
T01 << 1462352961.97129893 Scalapack redistribute (32.07028s) stopped
T01 << 1462352961.97137594 Distribute overlap matrix (635.73345s) stopped
T01 >> 1462352961.97195911 Blacs Orbital Layouts (1505.42247s) started
T01 >> 1462352961.97289300 General diagonalize (1475.34700s) started
T01 << 1462352964.69760799 General diagonalize (1478.07171s) stopped
T01 >> 1462352964.69766212 Redistribute coefs (1.63047s) started
T01 << 1462352964.70075798 Redistribute coefs (1.63356s) stopped
T01 >> 1462352964.70080209 Send coefs to domains (27.61073s) started
T01 << 1462352964.75006008 Send coefs to domains (27.65999s) stopped
T01 << 1462352964.75011492 Blacs Orbital Layouts (1508.20062s) stopped
T01 >> 1462352964.75013995 Calculate projections (1376.71053s) started
T01 << 1462352967.21447492 Calculate projections (1379.17486s) stopped
T01 << 1462352967.21458793 LCAO eigensolver (4394.47279s) stopped
T01 >> 1462352967.21541190 Density (1074.72260s) started
T01 >> 1462352967.21542597 Pseudo density (888.93821s) started
T01 >> 1462352967.21588492 Calculate density matrix (799.03645s) started
T01 << 1462352968.84476995 Calculate density matrix (800.66533s) stopped
T01 >> 1462352968.84484506 Construct density (88.65005s) started
T01 << 1462352969.02347493 Construct density (88.82868s) stopped
T01 >> 1462352969.02501798 Symmetrize density (0.02254s) started
T01 << 1462352969.02505112 Symmetrize density (0.02257s) stopped
T01 << 1462352969.02549195 Pseudo density (890.74828s) stopped
T01 >> 1462352969.02551198 Atomic density matrices (123.21778s) started
T01 << 1462352969.26894903 Atomic density matrices (123.46122s) stopped
T01 >> 1462352969.26898909 Multipole moments (1.99877s) started
T01 << 1462352969.27306795 Multipole moments (2.00285s) stopped
T01 >> 1462352969.27308989 Normalize (0.55204s) started
T01 << 1462352969.27418399 Normalize (0.55314s) stopped
T01 >> 1462352969.27421999 Mix (59.98162s) started
T01 << 1462352969.37966299 Mix (60.08706s) stopped
T01 << 1462352969.37976289 Density (1076.88695s) stopped
T01 >> 1462352969.37985301 Hamiltonian (12167.23285s) started
T01 >> 1462352969.37987208 vbar (7.29175s) started
T01 << 1462352969.39592910 vbar (7.30780s) stopped
T01 >> 1462352969.39601493 XC 3D grid (5276.39818s) started
T01 >> 1462352969.56708288 van der Waals (5092.79635s) started
T01 >> 1462352969.61009693 semilocal (1146.75154s) started
T01 << 1462352971.81848001 semilocal (1148.95992s) stopped
T01 >> 1462352971.85141206 redistribute (556.11921s) started
T01 << 1462352972.26155996 redistribute (556.52936s) stopped
T01 >> 1462352972.26162696 libvdwxc nonlocal (3350.94881s) started
T01 << 1462352978.94669294 libvdwxc nonlocal (3357.63387s) stopped
T01 >> 1462352978.94678593 redistribute (556.52940s) started
T01 << 1462352979.59887695 redistribute (557.18149s) stopped
T01 << 1462352979.60010099 van der Waals (5102.82936s) stopped
T01 << 1462352979.78189707 XC 3D grid (5286.78406s) stopped
T01 >> 1462352979.78195691 Poisson (1079.96126s) started
T01 << 1462352982.16344094 Poisson (1082.34274s) stopped
T01 >> 1462352982.16356492 Hartree integrate/restrict (41.79690s) started
T01 << 1462352982.18262911 Hartree integrate/restrict (41.81596s) stopped
T01 >> 1462352982.18276000 Hartree integrate/restrict (41.81605s) started
T01 << 1462352982.25021100 Hartree integrate/restrict (41.88351s) stopped
T01 >> 1462352982.26917005 Atomic (3255.09816s) started
T01 >> 1462352982.27923298 XC Correction (3248.40836s) started
T01 << 1462352988.71683407 XC Correction (3254.84596s) stopped
T01 << 1462352988.71983910 Atomic (3261.54883s) stopped
T01 >> 1462352988.71993804 Communicate (2495.73011s) started
T01 << 1462352995.15433908 Communicate (2502.16451s) stopped
T01 << 1462352995.15436792 Hamiltonian (12193.00736s) stopped
T01 >> 1462352995.15443707 LCAO eigensolver (4394.47280s) started
T01 >> 1462352995.15444994 Potential matrix (141.24447s) started
T01 << 1462352995.42080212 Potential matrix (141.51083s) stopped
T01 >> 1462352995.42087698 DistributedAtomicCorrection (729.65404s) started
T01 << 1462352996.76451492 DistributedAtomicCorrection (730.99767s) stopped
T01 >> 1462352996.76457095 Distribute overlap matrix (635.73346s) started
T01 >> 1462352996.76459289 blocked summation (602.79920s) started
T01 << 1462352997.89814901 blocked summation (603.93276s) stopped
T01 >> 1462352997.89957809 Scalapack redistribute (32.07032s) started
T01 << 1462352997.95830393 Scalapack redistribute (32.12904s) stopped
T01 << 1462352997.95838404 Distribute overlap matrix (636.92728s) stopped
T01 >> 1462352997.95895791 Blacs Orbital Layouts (1508.20063s) started
T01 >> 1462352997.95984793 General diagonalize (1478.07175s) started
T01 << 1462353000.68655610 General diagonalize (1480.79846s) stopped
T01 >> 1462353000.68661904 Redistribute coefs (1.63360s) started
T01 << 1462353000.68990397 Redistribute coefs (1.63688s) stopped
T01 >> 1462353000.68998504 Send coefs to domains (27.66003s) started
T01 << 1462353000.73913598 Send coefs to domains (27.70918s) stopped
T01 << 1462353000.73919606 Blacs Orbital Layouts (1510.98087s) stopped
T01 >> 1462353000.73924208 Calculate projections (1379.17495s) started
T01 << 1462353003.20358109 Calculate projections (1381.63929s) stopped
T01 << 1462353003.20366597 LCAO eigensolver (4402.52203s) stopped
T01 >> 1462353003.20450711 Density (1076.88697s) started
T01 >> 1462353003.20452094 Pseudo density (890.74829s) started
T01 >> 1462353003.20498395 Calculate density matrix (800.66538s) started
T01 << 1462353004.84281206 Calculate density matrix (802.30321s) stopped
T01 >> 1462353004.84288001 Construct density (88.82871s) started
T01 << 1462353005.02153397 Construct density (89.00737s) stopped
T01 >> 1462353005.02311492 Symmetrize density (0.02258s) started
T01 << 1462353005.02314901 Symmetrize density (0.02262s) stopped
T01 << 1462353005.02358508 Pseudo density (892.56736s) stopped
T01 >> 1462353005.02360511 Atomic density matrices (123.46125s) started
T01 << 1462353005.26753712 Atomic density matrices (123.70518s) stopped
T01 >> 1462353005.26757693 Multipole moments (2.00286s) started
T01 << 1462353005.27165389 Multipole moments (2.00694s) stopped
T01 >> 1462353005.27167606 Normalize (0.55316s) started
T01 << 1462353005.27277589 Normalize (0.55426s) stopped
T01 >> 1462353005.27281094 Mix (60.08716s) started
T01 << 1462353005.37974811 Mix (60.19409s) stopped
T01 << 1462353005.37985301 Density (1079.06231s) stopped
T01 >> 1462353005.37993598 Hamiltonian (12193.00738s) started
T01 >> 1462353005.37995410 vbar (7.30786s) started
T01 << 1462353005.39632511 vbar (7.32423s) stopped
T01 >> 1462353005.39642310 XC 3D grid (5286.78411s) started
T01 >> 1462353005.57539511 van der Waals (5102.82942s) started
T01 >> 1462353005.61914492 semilocal (1148.96003s) started
T01 << 1462353007.84874105 semilocal (1151.18963s) stopped
T01 >> 1462353007.87965989 redistribute (557.18153s) started
T01 << 1462353008.24725008 redistribute (557.54912s) stopped
T01 >> 1462353008.24731588 libvdwxc nonlocal (3357.63394s) started
T01 << 1462353014.95088291 libvdwxc nonlocal (3364.33751s) stopped
T01 >> 1462353014.95097089 redistribute (557.54916s) started
T01 << 1462353015.60086489 redistribute (558.19905s) stopped
T01 << 1462353015.60205793 van der Waals (5112.85608s) stopped
T01 << 1462353015.78383493 XC 3D grid (5297.17152s) stopped
T01 >> 1462353015.78388691 Poisson (1082.34283s) started
T01 << 1462353017.57670593 Poisson (1084.13565s) stopped
T01 >> 1462353017.57677507 Hartree integrate/restrict (41.88355s) started
T01 << 1462353017.59596491 Hartree integrate/restrict (41.90274s) stopped
T01 >> 1462353017.59601212 Hartree integrate/restrict (41.90277s) started
T01 << 1462353017.65753198 Hartree integrate/restrict (41.96429s) stopped
T01 >> 1462353017.68081999 Atomic (3261.54884s) started
T01 >> 1462353017.69080591 XC Correction (3254.84599s) started
T01 << 1462353023.78085589 XC Correction (3260.93604s) stopped
T01 << 1462353023.78386807 Atomic (3267.65189s) stopped
T01 >> 1462353023.78396702 Communicate (2502.16453s) started
T01 << 1462353029.89871192 Communicate (2508.27927s) stopped
T01 << 1462353029.89874101 Hamiltonian (12217.52618s) stopped
T01 >> 1462353029.89881206 LCAO eigensolver (4402.52204s) started
T01 >> 1462353029.89882493 Potential matrix (141.51087s) started
T01 << 1462353030.16376591 Potential matrix (141.77581s) stopped
T01 >> 1462353030.16383791 DistributedAtomicCorrection (730.99771s) started
T01 << 1462353031.50220704 DistributedAtomicCorrection (732.33608s) stopped
T01 >> 1462353031.50226402 Distribute overlap matrix (636.92729s) started
T01 >> 1462353031.50228596 blocked summation (603.93280s) started
T01 << 1462353032.64854598 blocked summation (605.07906s) stopped
T01 >> 1462353032.64996791 Scalapack redistribute (32.12908s) started
T01 << 1462353032.70825505 Scalapack redistribute (32.18737s) stopped
T01 << 1462353032.70833397 Distribute overlap matrix (638.13336s) stopped
T01 >> 1462353032.70891500 Blacs Orbital Layouts (1510.98088s) started
T01 >> 1462353032.71012092 General diagonalize (1480.79850s) started
T01 << 1462353035.43824291 General diagonalize (1483.52662s) stopped
T01 >> 1462353035.43830705 Redistribute coefs (1.63692s) started
T01 << 1462353035.44153190 Redistribute coefs (1.64014s) stopped
T01 >> 1462353035.44161105 Send coefs to domains (27.70923s) started
T01 << 1462353035.49147391 Send coefs to domains (27.75909s) stopped
T01 << 1462353035.49152803 Blacs Orbital Layouts (1513.76349s) stopped
T01 >> 1462353035.49157310 Calculate projections (1381.63934s) started
T01 << 1462353037.95580411 Calculate projections (1384.10357s) stopped
T01 << 1462353037.95588493 LCAO eigensolver (4410.57912s) stopped
T01 >> 1462353037.95659900 Density (1079.06233s) started
T01 >> 1462353037.95661306 Pseudo density (892.56737s) started
T01 >> 1462353037.95707297 Calculate density matrix (802.30325s) started
T01 << 1462353039.58048606 Calculate density matrix (803.92667s) stopped
T01 >> 1462353039.58057189 Construct density (89.00740s) started
T01 << 1462353039.75895190 Construct density (89.18578s) stopped
T01 >> 1462353039.76035309 Symmetrize density (0.02263s) started
T01 << 1462353039.76038599 Symmetrize density (0.02266s) stopped
T01 << 1462353039.76083589 Pseudo density (894.37159s) stopped
T01 >> 1462353039.76085591 Atomic density matrices (123.70521s) started
T01 << 1462353040.00493312 Atomic density matrices (123.94929s) stopped
T01 >> 1462353040.00497389 Multipole moments (2.00695s) started
T01 << 1462353040.00900888 Multipole moments (2.01099s) stopped
T01 >> 1462353040.00903201 Normalize (0.55429s) started
T01 << 1462353040.01010609 Normalize (0.55536s) stopped
T01 >> 1462353040.01014209 Mix (60.19420s) started
T01 << 1462353040.12082601 Mix (60.30488s) stopped
T01 << 1462353040.12092400 Density (1081.22666s) stopped
T01 >> 1462353040.12101412 Hamiltonian (12217.52620s) started
T01 >> 1462353040.12103295 vbar (7.32428s) started
T01 << 1462353040.13714600 vbar (7.34039s) stopped
T01 >> 1462353040.13721204 XC 3D grid (5297.17156s) started
T01 >> 1462353040.31421804 van der Waals (5112.85613s) started
T01 >> 1462353040.35792804 semilocal (1151.18969s) started
T01 << 1462353042.58306694 semilocal (1153.41483s) stopped
T01 >> 1462353042.61515999 redistribute (558.19910s) started
T01 << 1462353042.99614501 redistribute (558.58008s) stopped
T01 >> 1462353042.99621105 libvdwxc nonlocal (3364.33757s) started
T01 << 1462353049.68064904 libvdwxc nonlocal (3371.02200s) stopped
T01 >> 1462353049.68072391 redistribute (558.58012s) started
T01 << 1462353050.33011389 redistribute (559.22951s) stopped
T01 << 1462353050.33110094 van der Waals (5122.87301s) stopped
T01 << 1462353050.51370597 XC 3D grid (5307.54806s) stopped
T01 >> 1462353050.51375198 Poisson (1084.13570s) started
T01 << 1462353052.88987494 Poisson (1086.51183s) stopped
T01 >> 1462353052.88995695 Hartree integrate/restrict (41.96432s) started
T01 << 1462353052.90906191 Hartree integrate/restrict (41.98343s) stopped
T01 >> 1462353052.90911508 Hartree integrate/restrict (41.98346s) started
T01 << 1462353052.96996307 Hartree integrate/restrict (42.04431s) stopped
T01 >> 1462353052.99316001 Atomic (3267.65191s) started
T01 >> 1462353053.00308108 XC Correction (3260.93606s) started
T01 << 1462353059.00083995 XC Correction (3266.93382s) stopped
T01 << 1462353059.00385308 Atomic (3273.66260s) stopped
T01 >> 1462353059.00395203 Communicate (2508.27930s) started
T01 << 1462353064.68283391 Communicate (2513.95818s) stopped
T01 << 1462353064.68286490 Hamiltonian (12242.08805s) stopped
T01 >> 1462353064.68293905 LCAO eigensolver (4410.57913s) started
T01 >> 1462353064.68295193 Potential matrix (141.77585s) started
T01 << 1462353064.95029902 Potential matrix (142.04319s) stopped
T01 >> 1462353064.95037198 DistributedAtomicCorrection (732.33612s) started
T01 << 1462353066.28839588 DistributedAtomicCorrection (733.67414s) stopped
T01 >> 1462353066.28845310 Distribute overlap matrix (638.13337s) started
T01 >> 1462353066.28847599 blocked summation (605.07910s) started
T01 << 1462353067.43451405 blocked summation (606.22514s) stopped
T01 >> 1462353067.43593907 Scalapack redistribute (32.18740s) started
T01 << 1462353067.49485493 Scalapack redistribute (32.24632s) stopped
T01 << 1462353067.49493599 Distribute overlap matrix (639.33985s) stopped
T01 >> 1462353067.49550605 Blacs Orbital Layouts (1513.76351s) started
T01 >> 1462353067.49685693 General diagonalize (1483.52666s) started
T01 << 1462353070.23222303 General diagonalize (1486.26203s) stopped
T01 >> 1462353070.23228598 Redistribute coefs (1.64018s) started
T01 << 1462353070.23580503 Redistribute coefs (1.64369s) stopped
T01 >> 1462353070.23585296 Send coefs to domains (27.75913s) started
T01 << 1462353070.28397202 Send coefs to domains (27.80725s) stopped
T01 << 1462353070.28431010 Blacs Orbital Layouts (1516.55231s) stopped
T01 >> 1462353070.28437209 Calculate projections (1384.10363s) started
T01 << 1462353072.74879289 Calculate projections (1386.56805s) stopped
T01 << 1462353072.74887300 LCAO eigensolver (4418.64506s) stopped
T01 >> 1462353072.74978304 Density (1081.22668s) started
T01 >> 1462353072.74979591 Pseudo density (894.37161s) started
T01 >> 1462353072.75025010 Calculate density matrix (803.92671s) started
T01 << 1462353074.38212299 Calculate density matrix (805.55858s) stopped
T01 >> 1462353074.38221407 Construct density (89.18582s) started
T01 << 1462353074.56085110 Construct density (89.36445s) stopped
T01 >> 1462353074.56241608 Symmetrize density (0.02267s) started
T01 << 1462353074.56244898 Symmetrize density (0.02271s) stopped
T01 << 1462353074.56290007 Pseudo density (896.18471s) stopped
T01 >> 1462353074.56292009 Atomic density matrices (123.94931s) started
T01 << 1462353074.80645394 Atomic density matrices (124.19285s) stopped
T01 >> 1462353074.80649400 Multipole moments (2.01100s) started
T01 << 1462353074.81059289 Multipole moments (2.01510s) stopped
T01 >> 1462353074.81061602 Normalize (0.55538s) started
T01 << 1462353074.81170106 Normalize (0.55647s) stopped
T01 >> 1462353074.81173801 Mix (60.30498s) started
T01 << 1462353074.92633390 Mix (60.41957s) stopped
T01 << 1462353074.92643094 Density (1083.40332s) stopped
T01 >> 1462353074.92651510 Hamiltonian (12242.08806s) started
T01 >> 1462353074.92653394 vbar (7.34043s) started
T01 << 1462353074.94276690 vbar (7.35666s) stopped
T01 >> 1462353074.94284105 XC 3D grid (5307.54809s) started
T01 >> 1462353075.11999702 van der Waals (5122.87306s) started
T01 >> 1462353075.16171694 semilocal (1153.41495s) started
T01 << 1462353077.36720300 semilocal (1155.62043s) stopped
T01 >> 1462353077.39828610 redistribute (559.22955s) started
T01 << 1462353077.78856611 redistribute (559.61983s) stopped
T01 >> 1462353077.78863192 libvdwxc nonlocal (3371.02205s) started
T01 << 1462353084.47011495 libvdwxc nonlocal (3377.70354s) stopped
T01 >> 1462353084.47019005 redistribute (559.61987s) started
T01 << 1462353085.13045502 redistribute (560.28014s) stopped
T01 << 1462353085.13141203 van der Waals (5132.88447s) stopped
T01 << 1462353085.31345010 XC 3D grid (5317.91870s) stopped
T01 >> 1462353085.31352210 Poisson (1086.51189s) started
T01 << 1462353087.69357705 Poisson (1088.89195s) stopped
T01 >> 1462353087.69371009 Hartree integrate/restrict (42.04435s) started
T01 << 1462353087.71251297 Hartree integrate/restrict (42.06315s) stopped
T01 >> 1462353087.71266198 Hartree integrate/restrict (42.06325s) started
T01 << 1462353087.77370596 Hartree integrate/restrict (42.12429s) stopped
T01 >> 1462353087.79755902 Atomic (3273.66262s) started
T01 >> 1462353087.80755591 XC Correction (3266.93385s) started
T01 << 1462353093.86520791 XC Correction (3272.99150s) stopped
T01 << 1462353093.86821103 Atomic (3279.73327s) stopped
T01 >> 1462353093.86830997 Communicate (2513.95820s) started
T01 << 1462353099.21893311 Communicate (2519.30882s) stopped
T01 << 1462353099.21896410 Hamiltonian (12266.38051s) stopped
T01 >> 1462353099.21904111 LCAO eigensolver (4418.64508s) started
T01 >> 1462353099.21905398 Potential matrix (142.04323s) started
T01 << 1462353099.48695302 Potential matrix (142.31113s) stopped
T01 >> 1462353099.48702598 DistributedAtomicCorrection (733.67418s) started
T01 << 1462353100.84823394 DistributedAtomicCorrection (735.03539s) stopped
T01 >> 1462353100.84829092 Distribute overlap matrix (639.33986s) started
T01 >> 1462353100.84831309 blocked summation (606.22518s) started
T01 << 1462353101.98091197 blocked summation (607.35778s) stopped
T01 >> 1462353101.98285794 Scalapack redistribute (32.24635s) started
T01 << 1462353102.04162312 Scalapack redistribute (32.30512s) stopped
T01 << 1462353102.04170489 Distribute overlap matrix (640.53328s) stopped
T01 >> 1462353102.04227400 Blacs Orbital Layouts (1516.55233s) started
T01 >> 1462353102.04358196 General diagonalize (1486.26207s) started
T01 << 1462353104.77855206 General diagonalize (1488.99704s) stopped
T01 >> 1462353104.77861500 Redistribute coefs (1.64373s) started
T01 << 1462353104.78208995 Redistribute coefs (1.64721s) stopped
T01 >> 1462353104.78213811 Send coefs to domains (27.80730s) started
T01 << 1462353104.83085990 Send coefs to domains (27.85602s) stopped
T01 << 1462353104.83118105 Blacs Orbital Layouts (1519.34123s) stopped
T01 >> 1462353104.83123398 Calculate projections (1386.56810s) started
T01 << 1462353107.29556203 Calculate projections (1389.03243s) stopped
T01 << 1462353107.29584002 LCAO eigensolver (4426.72187s) stopped
T01 >> 1462353107.29673696 Density (1083.40334s) started
T01 >> 1462353107.29675007 Pseudo density (896.18473s) started
T01 >> 1462353107.29720998 Calculate density matrix (805.55863s) started
T01 << 1462353108.93289399 Calculate density matrix (807.19431s) stopped
T01 >> 1462353108.93298602 Construct density (89.36449s) started
T01 << 1462353109.11160994 Construct density (89.54311s) stopped
T01 >> 1462353109.11319804 Symmetrize density (0.02272s) started
T01 << 1462353109.11323094 Symmetrize density (0.02275s) stopped
T01 << 1462353109.11368489 Pseudo density (898.00166s) stopped
T01 >> 1462353109.11370492 Atomic density matrices (124.19288s) started
T01 << 1462353109.35749602 Atomic density matrices (124.43667s) stopped
T01 >> 1462353109.35753703 Multipole moments (2.01512s) started
T01 << 1462353109.36163092 Multipole moments (2.01921s) stopped
T01 >> 1462353109.36165500 Normalize (0.55650s) started
T01 << 1462353109.36272907 Normalize (0.55757s) stopped
T01 >> 1462353109.36276698 Mix (60.41967s) started
T01 << 1462353109.48210192 Mix (60.53900s) stopped
T01 << 1462353109.48219299 Density (1085.58880s) stopped
T01 >> 1462353109.48227406 Hamiltonian (12266.38052s) started
T01 >> 1462353109.48229194 vbar (7.35671s) started
T01 << 1462353109.49842691 vbar (7.37284s) stopped
T01 >> 1462353109.49850202 XC 3D grid (5317.91876s) started
T01 >> 1462353109.67397594 van der Waals (5132.88450s) started
T01 >> 1462353109.71719599 semilocal (1155.62054s) started
T01 << 1462353111.95858693 semilocal (1157.86193s) stopped
T01 >> 1462353111.98883200 redistribute (560.28018s) started
T01 << 1462353112.36179209 redistribute (560.65314s) stopped
T01 >> 1462353112.36185908 libvdwxc nonlocal (3377.70359s) started
T01 << 1462353119.07079792 libvdwxc nonlocal (3384.41253s) stopped
T01 >> 1462353119.07086492 redistribute (560.65318s) started
T01 << 1462353119.73849392 redistribute (561.32081s) stopped
T01 << 1462353119.73977804 van der Waals (5142.95030s) stopped
T01 << 1462353119.91498709 XC 3D grid (5328.33524s) stopped
T01 >> 1462353119.91503811 Poisson (1088.89205s) started
T01 << 1462353122.29853010 Poisson (1091.27554s) stopped
T01 >> 1462353122.29859591 Hartree integrate/restrict (42.12434s) started
T01 << 1462353122.31770802 Hartree integrate/restrict (42.14345s) stopped
T01 >> 1462353122.31779695 Hartree integrate/restrict (42.14351s) started
T01 << 1462353122.38060594 Hartree integrate/restrict (42.20632s) stopped
T01 >> 1462353122.39930105 Atomic (3279.73329s) started
T01 >> 1462353122.40933490 XC Correction (3272.99152s) started
T01 << 1462353128.44613504 XC Correction (3279.02832s) stopped
T01 << 1462353128.44913411 Atomic (3285.78312s) stopped
T01 >> 1462353128.44923401 Communicate (2519.30884s) started
T01 << 1462353133.85828400 Communicate (2524.71789s) stopped
T01 << 1462353133.85831499 Hamiltonian (12290.75656s) stopped
T01 >> 1462353133.85838389 LCAO eigensolver (4426.72189s) started
T01 >> 1462353133.85839796 Potential matrix (142.31117s) started
T01 << 1462353134.12343788 Potential matrix (142.57621s) stopped
T01 >> 1462353134.12351108 DistributedAtomicCorrection (735.03542s) started
T01 << 1462353135.46977401 DistributedAtomicCorrection (736.38169s) stopped
T01 >> 1462353135.46983004 Distribute overlap matrix (640.53329s) started
T01 >> 1462353135.46985292 blocked summation (607.35782s) started
T01 << 1462353136.57032394 blocked summation (608.45829s) stopped
T01 >> 1462353136.57207704 Scalapack redistribute (32.30516s) started
T01 << 1462353136.63143301 Scalapack redistribute (32.36451s) stopped
T01 << 1462353136.63151193 Distribute overlap matrix (641.69497s) stopped
T01 >> 1462353136.63208604 Blacs Orbital Layouts (1519.34125s) started
T01 >> 1462353136.63336205 General diagonalize (1488.99708s) started
T01 << 1462353139.38373208 General diagonalize (1491.74745s) stopped
T01 >> 1462353139.38379502 Redistribute coefs (1.64724s) started
T01 << 1462353139.38732791 Redistribute coefs (1.65077s) stopped
T01 >> 1462353139.38737512 Send coefs to domains (27.85606s) started
T01 << 1462353139.43722796 Send coefs to domains (27.90592s) stopped
T01 << 1462353139.43753695 Blacs Orbital Layouts (1522.14670s) stopped
T01 >> 1462353139.43759394 Calculate projections (1389.03249s) started
T01 << 1462353141.90183711 Calculate projections (1391.49673s) stopped
T01 << 1462353141.90211010 LCAO eigensolver (4434.76562s) stopped
T01 >> 1462353141.90283108 Density (1085.58882s) started
T01 >> 1462353141.90284395 Pseudo density (898.00168s) started
T01 >> 1462353141.90329909 Calculate density matrix (807.19435s) started
T01 << 1462353143.53872800 Calculate density matrix (808.82978s) stopped
T01 >> 1462353143.53881192 Construct density (89.54314s) started
T01 << 1462353143.71715808 Construct density (89.72149s) stopped
T01 >> 1462353143.71948600 Symmetrize density (0.02276s) started
T01 << 1462353143.71952009 Symmetrize density (0.02280s) stopped
T01 << 1462353143.71996498 Pseudo density (899.81880s) stopped
T01 >> 1462353143.71998501 Atomic density matrices (124.43670s) started
T01 << 1462353143.96436596 Atomic density matrices (124.68108s) stopped
T01 >> 1462353143.96440601 Multipole moments (2.01923s) started
T01 << 1462353143.96845102 Multipole moments (2.02327s) stopped
T01 >> 1462353143.96847296 Normalize (0.55760s) started
T01 << 1462353143.96955490 Normalize (0.55868s) stopped
T01 >> 1462353143.96958899 Mix (60.53909s) started
T01 << 1462353144.08809710 Mix (60.65760s) stopped
T01 << 1462353144.08821392 Density (1087.77420s) stopped
T01 >> 1462353144.08830309 Hamiltonian (12290.75658s) started
T01 >> 1462353144.08832097 vbar (7.37288s) started
T01 << 1462353144.10457492 vbar (7.38914s) stopped
T01 >> 1462353144.10466099 XC 3D grid (5328.33528s) started
T01 >> 1462353144.28091311 van der Waals (5142.95033s) started
T01 >> 1462353144.32379508 semilocal (1157.86198s) started
T01 << 1462353146.54761696 semilocal (1160.08581s) stopped
T01 >> 1462353146.58008194 redistribute (561.32089s) started
T01 << 1462353146.96717811 redistribute (561.70799s) stopped
T01 >> 1462353146.96724296 libvdwxc nonlocal (3384.41257s) started
T01 << 1462353153.67002511 libvdwxc nonlocal (3391.11535s) stopped
T01 >> 1462353153.67009807 redistribute (561.70803s) started
T01 << 1462353154.33635592 redistribute (562.37428s) stopped
T01 << 1462353154.33807492 van der Waals (5153.00750s) stopped
T01 << 1462353154.51127696 XC 3D grid (5338.74190s) stopped
T01 >> 1462353154.51132202 Poisson (1091.27559s) started
T01 << 1462353156.89901495 Poisson (1093.66328s) stopped
T01 >> 1462353156.89908695 Hartree integrate/restrict (42.20635s) started
T01 << 1462353156.91839004 Hartree integrate/restrict (42.22566s) stopped
T01 >> 1462353156.91843700 Hartree integrate/restrict (42.22569s) started
T01 << 1462353156.98062706 Hartree integrate/restrict (42.28788s) stopped
T01 >> 1462353157.00295305 Atomic (3285.78314s) started
T01 >> 1462353157.01306295 XC Correction (3279.02835s) started
T01 << 1462353163.07943392 XC Correction (3285.09472s) stopped
T01 << 1462353163.08247209 Atomic (3291.86266s) stopped
T01 >> 1462353163.08257198 Communicate (2524.71791s) started
T01 << 1462353168.44898701 Communicate (2530.08433s) stopped
T01 << 1462353168.44901705 Hamiltonian (12315.11729s) stopped
T01 >> 1462353168.44909096 LCAO eigensolver (4434.76564s) started
T01 >> 1462353168.44910407 Potential matrix (142.57625s) started
T01 << 1462353168.71386695 Potential matrix (142.84101s) stopped
T01 >> 1462353168.71393895 DistributedAtomicCorrection (736.38172s) started
T01 << 1462353170.06896091 DistributedAtomicCorrection (737.73675s) stopped
T01 >> 1462353170.06901789 Distribute overlap matrix (641.69499s) started
T01 >> 1462353170.06904006 blocked summation (608.45833s) started
T01 << 1462353171.21730995 blocked summation (609.60660s) stopped
T01 >> 1462353171.21948409 Scalapack redistribute (32.36455s) started
T01 << 1462353171.27624989 Scalapack redistribute (32.42131s) stopped
T01 << 1462353171.27634597 Distribute overlap matrix (642.90231s) stopped
T01 >> 1462353171.27699995 Blacs Orbital Layouts (1522.14672s) started
T01 >> 1462353171.27850103 General diagonalize (1491.74748s) started
T01 << 1462353174.00559807 General diagonalize (1494.47458s) stopped
T01 >> 1462353174.00566506 Redistribute coefs (1.65081s) started
T01 << 1462353174.00860095 Redistribute coefs (1.65375s) stopped
T01 >> 1462353174.00865197 Send coefs to domains (27.90596s) started
T01 << 1462353174.05962610 Send coefs to domains (27.95693s) stopped
T01 << 1462353174.05997205 Blacs Orbital Layouts (1524.92969s) stopped
T01 >> 1462353174.06002593 Calculate projections (1391.49678s) started
T01 << 1462353176.52448893 Calculate projections (1393.96125s) stopped
T01 << 1462353176.52489400 LCAO eigensolver (4442.84144s) stopped
T01 >> 1462353176.52563095 Density (1087.77422s) started
T01 >> 1462353176.52564812 Pseudo density (899.81881s) started
T01 >> 1462353176.52609801 Calculate density matrix (808.82983s) started
T01 << 1462353178.16210008 Calculate density matrix (810.46583s) stopped
T01 >> 1462353178.16218996 Construct density (89.72152s) started
T01 << 1462353178.34058809 Construct density (89.89992s) stopped
T01 >> 1462353178.34288597 Symmetrize density (0.02281s) started
T01 << 1462353178.34291911 Symmetrize density (0.02284s) stopped
T01 << 1462353178.34335589 Pseudo density (901.63652s) stopped
T01 >> 1462353178.34337592 Atomic density matrices (124.68110s) started
T01 << 1462353178.58661294 Atomic density matrices (124.92434s) stopped
T01 >> 1462353178.58665705 Multipole moments (2.02329s) started
T01 << 1462353178.59071708 Multipole moments (2.02735s) stopped
T01 >> 1462353178.59073901 Normalize (0.55870s) started
T01 << 1462353178.59182191 Normalize (0.55979s) stopped
T01 >> 1462353178.59185791 Mix (60.65771s) started
T01 << 1462353178.71155000 Mix (60.77740s) stopped
T01 << 1462353178.71165490 Density (1089.96024s) stopped
T01 >> 1462353178.71174908 Hamiltonian (12315.11730s) started
T01 >> 1462353178.71177101 vbar (7.38918s) started
T01 << 1462353178.72794294 vbar (7.40535s) stopped
T01 >> 1462353178.72800708 XC 3D grid (5338.74193s) started
T01 >> 1462353178.90651393 van der Waals (5153.00755s) started
T01 >> 1462353178.94991302 semilocal (1160.08590s) started
T01 << 1462353181.18976402 semilocal (1162.32575s) stopped
T01 >> 1462353181.21943688 redistribute (562.37440s) started
T01 << 1462353181.59240198 redistribute (562.74736s) stopped
T01 >> 1462353181.59246802 libvdwxc nonlocal (3391.11540s) started
T01 << 1462353188.29583406 libvdwxc nonlocal (3397.81877s) stopped
T01 >> 1462353188.29590702 redistribute (562.74740s) started
T01 << 1462353188.96912003 redistribute (563.42061s) stopped
T01 << 1462353188.97051597 van der Waals (5163.07155s) stopped
T01 << 1462353189.13992691 XC 3D grid (5349.15385s) stopped
T01 >> 1462353189.13999104 Poisson (1093.66333s) started
T01 << 1462353191.52827597 Poisson (1096.05162s) stopped
T01 >> 1462353191.52837896 Hartree integrate/restrict (42.28792s) started
T01 << 1462353191.54740405 Hartree integrate/restrict (42.30694s) stopped
T01 >> 1462353191.54756594 Hartree integrate/restrict (42.30706s) started
T01 << 1462353191.60970712 Hartree integrate/restrict (42.36920s) stopped
T01 >> 1462353191.63278389 Atomic (3291.86267s) started
T01 >> 1462353191.64286709 XC Correction (3285.09474s) started
T01 << 1462353197.73143291 XC Correction (3291.18331s) stopped
T01 << 1462353197.73447609 Atomic (3297.96437s) stopped
T01 >> 1462353197.73457599 Communicate (2530.08435s) started
T01 << 1462353202.97591305 Communicate (2535.32568s) stopped
T01 << 1462353202.97594404 Hamiltonian (12339.38150s) stopped
T01 >> 1462353202.97601795 LCAO eigensolver (4442.84146s) started
T01 >> 1462353202.97603202 Potential matrix (142.84105s) started
T01 << 1462353203.24050999 Potential matrix (143.10553s) stopped
T01 >> 1462353203.24058104 DistributedAtomicCorrection (737.73678s) started
T01 << 1462353204.58258700 DistributedAtomicCorrection (739.07879s) stopped
T01 >> 1462353204.58264804 Distribute overlap matrix (642.90233s) started
T01 >> 1462353204.58267093 blocked summation (609.60664s) started
T01 << 1462353205.76096797 blocked summation (610.78493s) stopped
T01 >> 1462353205.76247907 Scalapack redistribute (32.42136s) started
T01 << 1462353205.82102489 Scalapack redistribute (32.47991s) stopped
T01 << 1462353205.82110310 Distribute overlap matrix (644.14078s) stopped
T01 >> 1462353205.82169199 Blacs Orbital Layouts (1524.92971s) started
T01 >> 1462353205.82323503 General diagonalize (1494.47462s) started
T01 << 1462353208.55690002 General diagonalize (1497.20829s) stopped
T01 >> 1462353208.55696201 Redistribute coefs (1.65378s) started
T01 << 1462353208.56042290 Redistribute coefs (1.65725s) stopped
T01 >> 1462353208.56047010 Send coefs to domains (27.95698s) started
T01 << 1462353208.60934401 Send coefs to domains (28.00586s) stopped
T01 << 1462353208.60966206 Blacs Orbital Layouts (1527.71768s) stopped
T01 >> 1462353208.60971808 Calculate projections (1393.96130s) started
T01 << 1462353211.07412601 Calculate projections (1396.42571s) stopped
T01 << 1462353211.07439494 LCAO eigensolver (4450.93984s) stopped
T01 >> 1462353211.07510495 Density (1089.96026s) started
T01 >> 1462353211.07511806 Pseudo density (901.63654s) started
T01 >> 1462353211.07557201 Calculate density matrix (810.46587s) started
T01 << 1462353212.70459890 Calculate density matrix (812.09490s) stopped
T01 >> 1462353212.70468903 Construct density (89.89995s) started
T01 << 1462353212.88367295 Construct density (90.07894s) stopped
T01 >> 1462353212.88597298 Symmetrize density (0.02285s) started
T01 << 1462353212.88600612 Symmetrize density (0.02289s) stopped
T01 << 1462353212.88644290 Pseudo density (903.44786s) stopped
T01 >> 1462353212.88646197 Atomic density matrices (124.92437s) started
T01 << 1462353213.12944508 Atomic density matrices (125.16735s) stopped
T01 >> 1462353213.12948489 Multipole moments (2.02736s) started
T01 << 1462353213.13358402 Multipole moments (2.03146s) stopped
T01 >> 1462353213.13360691 Normalize (0.55981s) started
T01 << 1462353213.13469505 Normalize (0.56090s) stopped
T01 >> 1462353213.13473010 Mix (60.77750s) started
T01 << 1462353213.25357008 Mix (60.89634s) stopped
T01 << 1462353213.25361609 Density (1092.13877s) stopped
T01 >> 1462353213.25368595 Hamiltonian (12339.38151s) started
T01 >> 1462353213.25370407 vbar (7.40539s) started
T01 << 1462353213.26990891 vbar (7.42160s) stopped
T01 >> 1462353213.26997805 XC 3D grid (5349.15390s) started
T01 >> 1462353213.44819808 van der Waals (5163.07161s) started
T01 >> 1462353213.49169993 semilocal (1162.32581s) started
T01 << 1462353215.72866392 semilocal (1164.56277s) stopped
T01 >> 1462353215.76039100 redistribute (563.42071s) started
T01 << 1462353216.13511896 redistribute (563.79544s) stopped
T01 >> 1462353216.13518405 libvdwxc nonlocal (3397.81882s) started
T01 << 1462353222.85009789 libvdwxc nonlocal (3404.53373s) stopped
T01 >> 1462353222.85018206 redistribute (563.79548s) started
T01 << 1462353223.51723790 redistribute (564.46253s) stopped
T01 << 1462353223.51891804 van der Waals (5173.14233s) stopped
T01 << 1462353223.69706893 XC 3D grid (5359.58099s) stopped
T01 >> 1462353223.69711804 Poisson (1096.05170s) started
T01 << 1462353226.09571910 Poisson (1098.45030s) stopped
T01 >> 1462353226.09580493 Hartree integrate/restrict (42.36923s) started
T01 << 1462353226.11493707 Hartree integrate/restrict (42.38836s) stopped
T01 >> 1462353226.11498594 Hartree integrate/restrict (42.38840s) started
T01 << 1462353226.17748094 Hartree integrate/restrict (42.45089s) stopped
T01 >> 1462353226.19994998 Atomic (3297.96438s) started
T01 >> 1462353226.20999908 XC Correction (3291.18333s) started
T01 << 1462353232.32280803 XC Correction (3297.29614s) stopped
T01 << 1462353232.32581902 Atomic (3304.09025s) stopped
T01 >> 1462353232.32591701 Communicate (2535.32571s) started
T01 << 1462353237.53200793 Communicate (2540.53180s) stopped
T01 << 1462353237.53203702 Hamiltonian (12363.65986s) stopped
T01 >> 1462353237.53211308 LCAO eigensolver (4450.93986s) started
T01 >> 1462353237.53212595 Potential matrix (143.10556s) started
T01 << 1462353237.79612803 Potential matrix (143.36957s) stopped
T01 >> 1462353237.79620099 DistributedAtomicCorrection (739.07883s) started
T01 << 1462353239.14162397 DistributedAtomicCorrection (740.42425s) stopped
T01 >> 1462353239.14168501 Distribute overlap matrix (644.14079s) started
T01 >> 1462353239.14170694 blocked summation (610.78497s) started
T01 << 1462353240.24833202 blocked summation (611.89160s) stopped
T01 >> 1462353240.25007200 Scalapack redistribute (32.47995s) started
T01 << 1462353240.30925608 Scalapack redistribute (32.53913s) stopped
T01 << 1462353240.30933499 Distribute overlap matrix (645.30844s) stopped
T01 >> 1462353240.30995202 Blacs Orbital Layouts (1527.71770s) started
T01 >> 1462353240.31139207 General diagonalize (1497.20832s) started
T01 << 1462353243.03163290 General diagonalize (1499.92856s) stopped
T01 >> 1462353243.03169894 Redistribute coefs (1.65728s) started
T01 << 1462353243.03524089 Redistribute coefs (1.66082s) stopped
T01 >> 1462353243.03528905 Send coefs to domains (28.00590s) started
T01 << 1462353243.08500409 Send coefs to domains (28.05561s) stopped
T01 << 1462353243.08535600 Blacs Orbital Layouts (1530.49310s) stopped
T01 >> 1462353243.08541203 Calculate projections (1396.42576s) started
T01 << 1462353245.54979897 Calculate projections (1398.89015s) stopped
T01 << 1462353245.55007792 LCAO eigensolver (4458.95782s) stopped
T01 >> 1462353245.55079889 Density (1092.13879s) started
T01 >> 1462353245.55081201 Pseudo density (903.44787s) started
T01 >> 1462353245.55128288 Calculate density matrix (812.09494s) started
T01 << 1462353247.18603396 Calculate density matrix (813.72969s) stopped
T01 >> 1462353247.18611693 Construct density (90.07897s) started
T01 << 1462353247.36451411 Construct density (90.25737s) stopped
T01 >> 1462353247.36682606 Symmetrize density (0.02290s) started
T01 << 1462353247.36685896 Symmetrize density (0.02293s) stopped
T01 << 1462353247.36729407 Pseudo density (905.26436s) stopped
T01 >> 1462353247.36731410 Atomic density matrices (125.16738s) started
T01 << 1462353247.61151409 Atomic density matrices (125.41158s) stopped
T01 >> 1462353247.61155295 Multipole moments (2.03147s) started
T01 << 1462353247.61562705 Multipole moments (2.03555s) stopped
T01 >> 1462353247.61565089 Normalize (0.56092s) started
T01 << 1462353247.61672807 Normalize (0.56200s) stopped
T01 >> 1462353247.61676502 Mix (60.89639s) started
T01 << 1462353247.73632002 Mix (61.01594s) stopped
T01 << 1462353247.73643303 Density (1094.32442s) stopped
T01 >> 1462353247.73652411 Hamiltonian (12363.65988s) started
T01 >> 1462353247.73654294 vbar (7.42163s) started
T01 << 1462353247.75258589 vbar (7.43768s) stopped
T01 >> 1462353247.75268888 XC 3D grid (5359.58103s) started
T01 >> 1462353247.92442298 van der Waals (5173.14242s) started
T01 >> 1462353247.96782207 semilocal (1164.56283s) started
T01 << 1462353250.18642497 semilocal (1166.78143s) stopped
T01 >> 1462353250.21821094 redistribute (564.46272s) started
T01 << 1462353250.60491896 redistribute (564.84942s) stopped
T01 >> 1462353250.60498500 libvdwxc nonlocal (3404.53379s) started
T01 << 1462353257.30176497 libvdwxc nonlocal (3411.23057s) stopped
T01 >> 1462353257.30183911 redistribute (564.84946s) started
T01 << 1462353257.97016096 redistribute (565.51778s) stopped
T01 << 1462353257.97174191 van der Waals (5183.18974s) stopped
T01 << 1462353258.14268088 XC 3D grid (5369.97102s) stopped
T01 >> 1462353258.14273095 Poisson (1098.45036s) started
T01 << 1462353259.94396210 Poisson (1100.25159s) stopped
T01 >> 1462353259.94402909 Hartree integrate/restrict (42.45092s) started
T01 << 1462353259.96315002 Hartree integrate/restrict (42.47005s) stopped
T01 >> 1462353259.96323204 Hartree integrate/restrict (42.47011s) started
T01 << 1462353260.02470589 Hartree integrate/restrict (42.53158s) stopped
T01 >> 1462353260.04710007 Atomic (3304.09027s) started
T01 >> 1462353260.05724692 XC Correction (3297.29616s) started
T01 << 1462353266.14624405 XC Correction (3303.38516s) stopped
T01 << 1462353266.14927793 Atomic (3310.19245s) stopped
T01 >> 1462353266.14937592 Communicate (2540.53182s) started
T01 << 1462353271.45804191 Communicate (2545.84048s) stopped
T01 << 1462353271.45807290 Hamiltonian (12387.38143s) stopped
T01 >> 1462353271.45814610 LCAO eigensolver (4458.95784s) started
T01 >> 1462353271.45815992 Potential matrix (143.36960s) started
T01 << 1462353271.72158289 Potential matrix (143.63303s) stopped
T01 >> 1462353271.72165799 DistributedAtomicCorrection (740.42429s) started
T01 << 1462353273.09006810 DistributedAtomicCorrection (741.79270s) stopped
T01 >> 1462353273.09012389 Distribute overlap matrix (645.30846s) started
T01 >> 1462353273.09014606 blocked summation (611.89163s) started
T01 << 1462353274.17560291 blocked summation (612.97709s) stopped
T01 >> 1462353274.17775798 Scalapack redistribute (32.53917s) started
T01 << 1462353274.23548102 Scalapack redistribute (32.59689s) stopped
T01 << 1462353274.23557210 Distribute overlap matrix (646.45390s) stopped
T01 >> 1462353274.23621798 Blacs Orbital Layouts (1530.49312s) started
T01 >> 1462353274.23765492 General diagonalize (1499.92861s) started
T01 << 1462353276.98334193 General diagonalize (1502.67429s) stopped
T01 >> 1462353276.98340511 Redistribute coefs (1.66086s) started
T01 << 1462353276.98642802 Redistribute coefs (1.66388s) stopped
T01 >> 1462353276.98647404 Send coefs to domains (28.05566s) started
T01 << 1462353277.03691912 Send coefs to domains (28.10610s) stopped
T01 << 1462353277.03725696 Blacs Orbital Layouts (1533.29416s) stopped
T01 >> 1462353277.03731203 Calculate projections (1398.89020s) started
T01 << 1462353279.50161600 Calculate projections (1401.35450s) stopped
T01 << 1462353279.50205898 LCAO eigensolver (4467.00175s) stopped
T01 >> 1462353279.50278711 Density (1094.32444s) started
T01 >> 1462353279.50279999 Pseudo density (905.26437s) started
T01 >> 1462353279.50325894 Calculate density matrix (813.72973s) started
T01 << 1462353281.13976598 Calculate density matrix (815.36624s) stopped
T01 >> 1462353281.13985300 Construct density (90.25740s) started
T01 << 1462353281.31823492 Construct density (90.43578s) stopped
T01 >> 1462353281.32053304 Symmetrize density (0.02294s) started
T01 << 1462353281.32056594 Symmetrize density (0.02298s) stopped
T01 << 1462353281.32101297 Pseudo density (907.08258s) stopped
T01 >> 1462353281.32103300 Atomic density matrices (125.41161s) started
T01 << 1462353281.56472206 Atomic density matrices (125.65530s) stopped
T01 >> 1462353281.56476307 Multipole moments (2.03556s) started
T01 << 1462353281.56887603 Multipole moments (2.03968s) stopped
T01 >> 1462353281.56889796 Normalize (0.56203s) started
T01 << 1462353281.56996703 Normalize (0.56310s) stopped
T01 >> 1462353281.57000303 Mix (61.01605s) started
T01 << 1462353281.68757606 Mix (61.13362s) stopped
T01 << 1462353281.68768096 Density (1096.50933s) stopped
T01 >> 1462353281.68776393 Hamiltonian (12387.38144s) started
T01 >> 1462353281.68778205 vbar (7.43773s) started
T01 << 1462353281.70458293 vbar (7.45454s) stopped
T01 >> 1462353281.70468998 XC 3D grid (5369.97106s) started
T01 >> 1462353281.88258791 van der Waals (5183.18978s) started
T01 >> 1462353281.92651796 semilocal (1166.78152s) started
T01 << 1462353284.15170193 semilocal (1169.00671s) stopped
T01 >> 1462353284.18195295 redistribute (565.51789s) started
T01 << 1462353284.56178999 redistribute (565.89773s) stopped
T01 >> 1462353284.56185603 libvdwxc nonlocal (3411.23062s) started
T01 << 1462353291.24233198 libvdwxc nonlocal (3417.91109s) stopped
T01 >> 1462353291.24240494 redistribute (565.89777s) started
T01 << 1462353291.90961409 redistribute (566.56498s) stopped
T01 << 1462353291.91121888 van der Waals (5193.21841s) stopped
T01 << 1462353292.08614397 XC 3D grid (5380.35251s) stopped
T01 >> 1462353292.08621192 Poisson (1100.25164s) started
T01 << 1462353293.88646412 Poisson (1102.05189s) stopped
T01 >> 1462353293.88658404 Hartree integrate/restrict (42.53162s) started
T01 << 1462353293.90552711 Hartree integrate/restrict (42.55056s) stopped
T01 >> 1462353293.90565896 Hartree integrate/restrict (42.55066s) started
T01 << 1462353293.96777701 Hartree integrate/restrict (42.61278s) stopped
T01 >> 1462353293.99044108 Atomic (3310.19247s) started
T01 >> 1462353294.00060797 XC Correction (3303.38519s) started
T01 << 1462353300.11779308 XC Correction (3309.50237s) stopped
T01 << 1462353300.12082601 Atomic (3316.32285s) stopped
T01 >> 1462353300.12092495 Communicate (2545.84050s) started
T01 << 1462353305.39720798 Communicate (2551.11679s) stopped
T01 << 1462353305.39723802 Hamiltonian (12411.09091s) stopped
T01 >> 1462353305.39731097 LCAO eigensolver (4467.00177s) started
T01 >> 1462353305.39732504 Potential matrix (143.63306s) started
T01 << 1462353305.66172695 Potential matrix (143.89747s) stopped
T01 >> 1462353305.66179895 DistributedAtomicCorrection (741.79274s) started
T01 << 1462353307.01355004 DistributedAtomicCorrection (743.14449s) stopped
T01 >> 1462353307.01360703 Distribute overlap matrix (646.45392s) started
T01 >> 1462353307.01362896 blocked summation (612.97713s) started
T01 << 1462353308.14997911 blocked summation (614.11348s) stopped
T01 >> 1462353308.15150809 Scalapack redistribute (32.59694s) started
T01 << 1462353308.20880604 Scalapack redistribute (32.65423s) stopped
T01 << 1462353308.20888495 Distribute overlap matrix (647.64920s) stopped
T01 >> 1462353308.20947194 Blacs Orbital Layouts (1533.29418s) started
T01 >> 1462353308.21101809 General diagonalize (1502.67433s) started
T01 << 1462353310.92899799 General diagonalize (1505.39231s) stopped
T01 >> 1462353310.92906094 Redistribute coefs (1.66392s) started
T01 << 1462353310.93273091 Redistribute coefs (1.66759s) stopped
T01 >> 1462353310.93277597 Send coefs to domains (28.10615s) started
T01 << 1462353310.98195601 Send coefs to domains (28.15533s) stopped
T01 << 1462353310.98229408 Blacs Orbital Layouts (1536.06700s) stopped
T01 >> 1462353310.98234701 Calculate projections (1401.35456s) started
T01 << 1462353313.44655704 Calculate projections (1403.81877s) stopped
T01 << 1462353313.44684005 LCAO eigensolver (4475.05130s) stopped
T01 >> 1462353313.44754410 Density (1096.50935s) started
T01 >> 1462353313.44755793 Pseudo density (907.08260s) started
T01 >> 1462353313.44801998 Calculate density matrix (815.36628s) started
T01 << 1462353315.08631206 Calculate density matrix (817.00458s) stopped
T01 >> 1462353315.08639908 Construct density (90.43582s) started
T01 << 1462353315.26529503 Construct density (90.61471s) stopped
T01 >> 1462353315.26759791 Symmetrize density (0.02299s) started
T01 << 1462353315.26763201 Symmetrize density (0.02302s) stopped
T01 << 1462353315.26807499 Pseudo density (908.90311s) stopped
T01 >> 1462353315.26809406 Atomic density matrices (125.65533s) started
T01 << 1462353315.51178098 Atomic density matrices (125.89901s) stopped
T01 >> 1462353315.51182103 Multipole moments (2.03969s) started
T01 << 1462353315.51594305 Multipole moments (2.04381s) stopped
T01 >> 1462353315.51596498 Normalize (0.56312s) started
T01 << 1462353315.51704907 Normalize (0.56421s) stopped
T01 >> 1462353315.51708388 Mix (61.13372s) started
T01 << 1462353315.63647604 Mix (61.25311s) stopped
T01 << 1462353315.63655305 Density (1098.69836s) stopped
T01 >> 1462353315.63663292 Hamiltonian (12411.09092s) started
T01 >> 1462353315.63665605 vbar (7.45460s) started
T01 << 1462353315.65279198 vbar (7.47074s) stopped
T01 >> 1462353315.65285611 XC 3D grid (5380.35257s) started
T01 >> 1462353315.82660508 van der Waals (5193.21847s) started
T01 >> 1462353315.86996889 semilocal (1169.00681s) started
T01 << 1462353318.09840393 semilocal (1171.23525s) stopped
T01 >> 1462353318.12876010 redistribute (566.56504s) started
T01 << 1462353318.50175095 redistribute (566.93803s) stopped
T01 >> 1462353318.50181699 libvdwxc nonlocal (3417.91114s) started
T01 << 1462353325.21262789 libvdwxc nonlocal (3424.62195s) stopped
T01 >> 1462353325.21271300 redistribute (566.93807s) started
T01 << 1462353325.87844610 redistribute (567.60380s) stopped
T01 << 1462353325.87988591 van der Waals (5203.27175s) stopped
T01 << 1462353326.05233502 XC 3D grid (5390.75205s) stopped
T01 >> 1462353326.05238104 Poisson (1102.05199s) started
T01 << 1462353327.85590601 Poisson (1103.85551s) stopped
T01 >> 1462353327.85597205 Hartree integrate/restrict (42.61281s) started
T01 << 1462353327.87514305 Hartree integrate/restrict (42.63198s) stopped
T01 >> 1462353327.87522006 Hartree integrate/restrict (42.63204s) started
T01 << 1462353327.93761396 Hartree integrate/restrict (42.69443s) stopped
T01 >> 1462353327.95984006 Atomic (3316.32287s) started
T01 >> 1462353327.97001910 XC Correction (3309.50240s) started
T01 << 1462353334.04411101 XC Correction (3315.57649s) stopped
T01 << 1462353334.04715991 Atomic (3322.41019s) stopped
T01 >> 1462353334.04725695 Communicate (2551.11681s) started
T01 << 1462353339.37504101 Communicate (2556.44459s) stopped
T01 << 1462353339.37507200 Hamiltonian (12434.82936s) stopped
T01 >> 1462353339.37514305 LCAO eigensolver (4475.05132s) started
T01 >> 1462353339.37515712 Potential matrix (143.89751s) started
T01 << 1462353339.64042497 Potential matrix (144.16277s) stopped
T01 >> 1462353339.64049602 DistributedAtomicCorrection (743.14453s) started
T01 << 1462353341.01155210 DistributedAtomicCorrection (744.51558s) stopped
T01 >> 1462353341.01160908 Distribute overlap matrix (647.64921s) started
T01 >> 1462353341.01163197 blocked summation (614.11352s) started
T01 << 1462353342.13546705 blocked summation (615.23735s) stopped
T01 >> 1462353342.13744998 Scalapack redistribute (32.65427s) started
T01 << 1462353342.19664097 Scalapack redistribute (32.71346s) stopped
T01 << 1462353342.19672394 Distribute overlap matrix (648.83432s) stopped
T01 >> 1462353342.19731903 Blacs Orbital Layouts (1536.06702s) started
T01 >> 1462353342.19846797 General diagonalize (1505.39235s) started
T01 << 1462353344.93655491 General diagonalize (1508.13044s) stopped
T01 >> 1462353344.93661690 Redistribute coefs (1.66762s) started
T01 << 1462353344.94022202 Redistribute coefs (1.67123s) stopped
T01 >> 1462353344.94027090 Send coefs to domains (28.15537s) started
T01 << 1462353344.98897791 Send coefs to domains (28.20408s) stopped
T01 << 1462353344.98927999 Blacs Orbital Layouts (1538.85898s) stopped
T01 >> 1462353344.98933697 Calculate projections (1403.81882s) started
T01 << 1462353347.45384598 Calculate projections (1406.28333s) stopped
T01 << 1462353347.45411611 LCAO eigensolver (4483.13030s) stopped
T01 >> 1462353347.45485306 Density (1098.69838s) started
T01 >> 1462353347.45486593 Pseudo density (908.90313s) started
T01 >> 1462353347.45533109 Calculate density matrix (817.00462s) started
T01 << 1462353349.09411001 Calculate density matrix (818.64340s) stopped
T01 >> 1462353349.09419107 Construct density (90.61475s) started
T01 << 1462353349.27250004 Construct density (90.79305s) stopped
T01 >> 1462353349.27481389 Symmetrize density (0.02303s) started
T01 << 1462353349.27484703 Symmetrize density (0.02307s) stopped
T01 << 1462353349.27528501 Pseudo density (910.72355s) stopped
T01 >> 1462353349.27530503 Atomic density matrices (125.89904s) started
T01 << 1462353349.51938105 Atomic density matrices (126.14312s) stopped
T01 >> 1462353349.51944995 Multipole moments (2.04383s) started
T01 << 1462353349.52355289 Multipole moments (2.04793s) stopped
T01 >> 1462353349.52357602 Normalize (0.56423s) started
T01 << 1462353349.52465796 Normalize (0.56531s) stopped
T01 >> 1462353349.52469492 Mix (61.25319s) started
T01 << 1462353349.64361501 Mix (61.37211s) stopped
T01 << 1462353349.64366603 Density (1100.88719s) stopped
T01 >> 1462353349.64374089 Hamiltonian (12434.82938s) started
T01 >> 1462353349.64375901 vbar (7.47077s) started
T01 << 1462353349.66052890 vbar (7.48754s) stopped
T01 >> 1462353349.66059208 XC 3D grid (5390.75208s) started
T01 >> 1462353349.84041190 van der Waals (5203.27185s) started
T01 >> 1462353349.88257289 semilocal (1171.23532s) started
T01 << 1462353352.11133599 semilocal (1173.46409s) stopped
T01 >> 1462353352.14190292 redistribute (567.60389s) started
T01 << 1462353352.52348399 redistribute (567.98547s) stopped
T01 >> 1462353352.52355003 libvdwxc nonlocal (3424.62201s) started
T01 << 1462353359.21279907 libvdwxc nonlocal (3431.31126s) stopped
T01 >> 1462353359.21288300 redistribute (567.98551s) started
T01 << 1462353359.88156390 redistribute (568.65419s) stopped
T01 << 1462353359.88295293 van der Waals (5213.31439s) stopped
T01 << 1462353360.05750895 XC 3D grid (5401.14900s) stopped
T01 >> 1462353360.05755496 Poisson (1103.85556s) started
T01 << 1462353361.27734900 Poisson (1105.07536s) stopped
T01 >> 1462353361.27741790 Hartree integrate/restrict (42.69447s) started
T01 << 1462353361.29651308 Hartree integrate/restrict (42.71356s) stopped
T01 >> 1462353361.29655910 Hartree integrate/restrict (42.71359s) started
T01 << 1462353361.35899496 Hartree integrate/restrict (42.77603s) stopped
T01 >> 1462353361.38177609 Atomic (3322.41020s) started
T01 >> 1462353361.39202809 XC Correction (3315.57651s) started
T01 << 1462353367.48704290 XC Correction (3321.67153s) stopped
T01 << 1462353367.49008799 Atomic (3328.51852s) stopped
T01 >> 1462353367.49018407 Communicate (2556.44461s) started
T01 << 1462353372.77919793 Communicate (2561.73362s) stopped
T01 << 1462353372.77922893 Hamiltonian (12457.96486s) stopped
T01 >> 1462353372.77930403 LCAO eigensolver (4483.13031s) started
T01 >> 1462353372.77931809 Potential matrix (144.16281s) started
T01 << 1462353373.04418612 Potential matrix (144.42768s) stopped
T01 >> 1462353373.04425907 DistributedAtomicCorrection (744.51562s) started
T01 << 1462353374.41174412 DistributedAtomicCorrection (745.88310s) stopped
T01 >> 1462353374.41180110 Distribute overlap matrix (648.83434s) started
T01 >> 1462353374.41182303 blocked summation (615.23739s) started
T01 << 1462353375.54190207 blocked summation (616.36747s) stopped
T01 >> 1462353375.54379511 Scalapack redistribute (32.71350s) started
T01 << 1462353375.60066104 Scalapack redistribute (32.77037s) stopped
T01 << 1462353375.60075402 Distribute overlap matrix (650.02329s) stopped
T01 >> 1462353375.60136294 Blacs Orbital Layouts (1538.85900s) started
T01 >> 1462353375.60285997 General diagonalize (1508.13048s) started
T01 << 1462353378.33535290 General diagonalize (1510.86297s) stopped
T01 >> 1462353378.33541608 Redistribute coefs (1.67127s) started
T01 << 1462353378.33905292 Redistribute coefs (1.67490s) stopped
T01 >> 1462353378.33909893 Send coefs to domains (28.20412s) started
T01 << 1462353378.38832998 Send coefs to domains (28.25335s) stopped
T01 << 1462353378.38864112 Blacs Orbital Layouts (1541.64627s) stopped
T01 >> 1462353378.38870192 Calculate projections (1406.28339s) started
T01 << 1462353380.85299206 Calculate projections (1408.74768s) stopped
T01 << 1462353380.85326099 LCAO eigensolver (4491.20427s) stopped
T01 >> 1462353380.85413504 Density (1100.88720s) started
T01 >> 1462353380.85414791 Pseudo density (910.72356s) started
T01 >> 1462353380.85460591 Calculate density matrix (818.64344s) started
T01 << 1462353382.48902798 Calculate density matrix (820.27786s) stopped
T01 >> 1462353382.48911309 Construct density (90.79309s) started
T01 << 1462353382.66765499 Construct density (90.97163s) stopped
T01 >> 1462353382.67008495 Symmetrize density (0.02308s) started
T01 << 1462353382.67011809 Symmetrize density (0.02311s) stopped
T01 << 1462353382.67055511 Pseudo density (912.53997s) stopped
T01 >> 1462353382.67057490 Atomic density matrices (126.14317s) started
T01 << 1462353382.91367888 Atomic density matrices (126.38628s) stopped
T01 >> 1462353382.91371799 Multipole moments (2.04794s) started
T01 << 1462353382.91788292 Multipole moments (2.05211s) stopped
T01 >> 1462353382.91790509 Normalize (0.56534s) started
T01 << 1462353382.91897297 Normalize (0.56641s) stopped
T01 >> 1462353382.91900992 Mix (61.37216s) started
T01 << 1462353383.03847790 Mix (61.49163s) stopped
T01 << 1462353383.03856301 Density (1103.07163s) stopped
T01 >> 1462353383.03865194 Hamiltonian (12457.96488s) started
T01 >> 1462353383.03867102 vbar (7.48758s) started
T01 << 1462353383.05510497 vbar (7.50401s) stopped
T01 >> 1462353383.05518198 XC 3D grid (5401.14903s) started
T01 >> 1462353383.22657299 van der Waals (5213.31444s) started
T01 >> 1462353383.26938200 semilocal (1173.46417s) started
T01 << 1462353385.48734403 semilocal (1175.68213s) stopped
T01 >> 1462353385.52096295 redistribute (568.65430s) started
T01 << 1462353385.92507792 redistribute (569.05842s) stopped
T01 >> 1462353385.92514300 libvdwxc nonlocal (3431.31132s) started
T01 << 1462353392.62075496 libvdwxc nonlocal (3438.00693s) stopped
T01 >> 1462353392.62084198 redistribute (569.05845s) started
T01 << 1462353393.28780198 redistribute (569.72541s) stopped
T01 << 1462353393.28947997 van der Waals (5223.37734s) stopped
T01 << 1462353393.46383595 XC 3D grid (5411.55769s) stopped
T01 >> 1462353393.46390390 Poisson (1105.07541s) started
T01 << 1462353394.67978692 Poisson (1106.29129s) stopped
T01 >> 1462353394.67988992 Hartree integrate/restrict (42.77606s) started
T01 << 1462353394.69877291 Hartree integrate/restrict (42.79494s) stopped
T01 >> 1462353394.69893909 Hartree integrate/restrict (42.79506s) started
T01 << 1462353394.76191401 Hartree integrate/restrict (42.85803s) stopped
T01 >> 1462353394.78153300 Atomic (3328.51853s) started
T01 >> 1462353394.79186010 XC Correction (3321.67155s) started
T01 << 1462353400.88556004 XC Correction (3327.76525s) stopped
T01 << 1462353400.88862109 Atomic (3334.62562s) stopped
T01 >> 1462353400.88872409 Communicate (2561.73364s) started
T01 << 1462353406.30719209 Communicate (2567.15211s) stopped
T01 << 1462353406.30721998 Hamiltonian (12481.23345s) stopped
T01 >> 1462353406.30729294 LCAO eigensolver (4491.20429s) started
T01 >> 1462353406.30730605 Potential matrix (144.42772s) started
T01 << 1462353406.57131910 Potential matrix (144.69173s) stopped
T01 >> 1462353406.57139111 DistributedAtomicCorrection (745.88314s) started
T01 << 1462353407.92903495 DistributedAtomicCorrection (747.24079s) stopped
T01 >> 1462353407.92909193 Distribute overlap matrix (650.02330s) started
T01 >> 1462353407.92911291 blocked summation (616.36751s) started
T01 << 1462353409.03696108 blocked summation (617.47536s) stopped
T01 >> 1462353409.03916693 Scalapack redistribute (32.77042s) started
T01 << 1462353409.09793496 Scalapack redistribute (32.82918s) stopped
T01 << 1462353409.09801412 Distribute overlap matrix (651.19222s) stopped
T01 >> 1462353409.09860611 Blacs Orbital Layouts (1541.64629s) started
T01 >> 1462353409.10010099 General diagonalize (1510.86301s) started
T01 << 1462353411.83211398 General diagonalize (1513.59502s) stopped
T01 >> 1462353411.83217812 Redistribute coefs (1.67494s) started
T01 << 1462353411.83516407 Redistribute coefs (1.67793s) stopped
T01 >> 1462353411.83521199 Send coefs to domains (28.25339s) started
T01 << 1462353411.88442802 Send coefs to domains (28.30261s) stopped
T01 << 1462353411.88476706 Blacs Orbital Layouts (1544.43246s) stopped
T01 >> 1462353411.88481688 Calculate projections (1408.74773s) started
T01 << 1462353414.34911203 Calculate projections (1411.21203s) stopped
T01 << 1462353414.34954810 LCAO eigensolver (4499.24654s) stopped
T01 >> 1462353414.35024691 Density (1103.07165s) started
T01 >> 1462353414.35026002 Pseudo density (912.53998s) started
T01 >> 1462353414.35074401 Calculate density matrix (820.27790s) started
T01 << 1462353415.98423696 Calculate density matrix (821.91139s) stopped
T01 >> 1462353415.98432398 Construct density (90.97166s) started
T01 << 1462353416.16262889 Construct density (91.14997s) stopped
T01 >> 1462353416.16495991 Symmetrize density (0.02312s) started
T01 << 1462353416.16499305 Symmetrize density (0.02315s) stopped
T01 << 1462353416.16543007 Pseudo density (914.35515s) stopped
T01 >> 1462353416.16544890 Atomic density matrices (126.38630s) started
T01 << 1462353416.40977311 Atomic density matrices (126.63063s) stopped
T01 >> 1462353416.40981293 Multipole moments (2.05212s) started
T01 << 1462353416.41395211 Multipole moments (2.05626s) stopped
T01 >> 1462353416.41397500 Normalize (0.56643s) started
T01 << 1462353416.41504312 Normalize (0.56750s) stopped
T01 >> 1462353416.41507697 Mix (61.49171s) started
T01 << 1462353416.53394103 Mix (61.61057s) stopped
T01 << 1462353416.53402305 Density (1105.25542s) stopped
T01 >> 1462353416.53409600 Hamiltonian (12481.23346s) started
T01 >> 1462353416.53411293 vbar (7.50406s) started
T01 << 1462353416.55057693 vbar (7.52052s) stopped
T01 >> 1462353416.55069304 XC 3D grid (5411.55774s) started
T01 >> 1462353416.72403502 van der Waals (5223.37745s) started
T01 >> 1462353416.76725197 semilocal (1175.68227s) started
T01 << 1462353418.99408889 semilocal (1177.90911s) stopped
T01 >> 1462353419.02508307 redistribute (569.72555s) started
T01 << 1462353419.40025902 redistribute (570.10073s) stopped
T01 >> 1462353419.40032506 libvdwxc nonlocal (3438.00699s) started
T01 << 1462353426.08661795 libvdwxc nonlocal (3444.69328s) stopped
T01 >> 1462353426.08671188 redistribute (570.10077s) started
T01 << 1462353426.75292301 redistribute (570.76698s) stopped
T01 << 1462353426.75461197 van der Waals (5233.40803s) stopped
T01 << 1462353426.92765594 XC 3D grid (5421.93471s) stopped
T01 >> 1462353426.92771506 Poisson (1106.29137s) started
T01 << 1462353428.13831496 Poisson (1107.50197s) stopped
T01 >> 1462353428.13839793 Hartree integrate/restrict (42.85806s) started
T01 << 1462353428.15731692 Hartree integrate/restrict (42.87698s) stopped
T01 >> 1462353428.15741205 Hartree integrate/restrict (42.87705s) started
T01 << 1462353428.22555304 Hartree integrate/restrict (42.94519s) stopped
T01 >> 1462353428.24214005 Atomic (3334.62564s) started
T01 >> 1462353428.25246191 XC Correction (3327.76527s) started
T01 << 1462353434.37147689 XC Correction (3333.88429s) stopped
T01 << 1462353434.37453604 Atomic (3340.75803s) stopped
T01 >> 1462353434.37463403 Communicate (2567.15213s) started
T01 << 1462353439.78683996 Communicate (2572.56434s) stopped
T01 << 1462353439.78686810 Hamiltonian (12504.48623s) stopped
T01 >> 1462353439.78694201 LCAO eigensolver (4499.24656s) started
T01 >> 1462353439.78695512 Potential matrix (144.69177s) started
T01 << 1462353440.05117202 Potential matrix (144.95598s) stopped
T01 >> 1462353440.05124402 DistributedAtomicCorrection (747.24082s) started
T01 << 1462353441.40291190 DistributedAtomicCorrection (748.59249s) stopped
T01 >> 1462353441.40296888 Distribute overlap matrix (651.19224s) started
T01 >> 1462353441.40299106 blocked summation (617.47539s) started
T01 << 1462353442.51583195 blocked summation (618.58824s) stopped
T01 >> 1462353442.51763701 Scalapack redistribute (32.82922s) started
T01 << 1462353442.57574701 Scalapack redistribute (32.88733s) stopped
T01 << 1462353442.57582307 Distribute overlap matrix (652.36509s) stopped
T01 >> 1462353442.57640505 Blacs Orbital Layouts (1544.43247s) started
T01 >> 1462353442.57793403 General diagonalize (1513.59506s) started
T01 << 1462353445.32809496 General diagonalize (1516.34522s) stopped
T01 >> 1462353445.32815695 Redistribute coefs (1.67796s) started
T01 << 1462353445.33171797 Redistribute coefs (1.68152s) stopped
T01 >> 1462353445.33176303 Send coefs to domains (28.30265s) started
T01 << 1462353445.38069701 Send coefs to domains (28.35158s) stopped
T01 << 1462353445.38100004 Blacs Orbital Layouts (1547.23707s) stopped
T01 >> 1462353445.38105202 Calculate projections (1411.21208s) started
T01 << 1462353447.84541702 Calculate projections (1413.67644s) stopped
T01 << 1462353447.84569192 LCAO eigensolver (4507.30531s) stopped
T01 << 1462353447.84639692 SCF-cycle (18117.51434s) stopped
T01 >> 1462353448.78640389 Force calculation (983.39201s) started
T01 >> 1462353448.78646493 LCAO forces (612.09243s) started
T01 >> 1462353448.78682709 Initial (0.00073s) started
T01 << 1462353448.78683805 Initial (0.00075s) stopped
T01 >> 1462353448.79108810 Get density matrix (119.42185s) started
T01 << 1462353449.39845300 Get density matrix (120.02922s) stopped
T01 >> 1462353449.39849997 Potential (43.85753s) started
T01 << 1462353450.79793406 Potential (45.25696s) stopped
T01 >> 1462353450.79799604 Get density matrix (120.02926s) started
T01 << 1462353454.02938104 Get density matrix (123.26064s) stopped
T01 >> 1462353454.02952194 Prepare TCI loop (60.59963s) started
T01 >> 1462353454.02997208 Get neighbors (55.75845s) started
T01 << 1462353455.85133600 Get neighbors (57.57982s) stopped
T01 >> 1462353455.85243297 broadcast dH (4.81951s) started
T01 << 1462353455.89319110 broadcast dH (4.86027s) stopped
T01 << 1462353455.89323997 Prepare TCI loop (62.46334s) stopped
T01 >> 1462353455.89326000 Not so complicated loop (86.03254s) started
T01 << 1462353458.69927597 Not so complicated loop (88.83856s) stopped
T01 >> 1462353458.82335711 Complicated loop (297.84728s) started
T01 << 1462353468.34434009 Complicated loop (307.36826s) stopped
T01 >> 1462353468.35661888 Wait for sum (0.00178s) started
T01 << 1462353468.35666394 Wait for sum (0.00183s) stopped
T01 << 1462353468.35667706 LCAO forces (631.66264s) stopped
T01 << 1462353481.42002392 Force calculation (1016.02563s) stopped
T01 >> 1462353481.43783689 Initialization (1649.22580s) started
T01 << 1462353481.43803000 Initialization (1649.22599s) stopped
T01 >> 1462353481.43826699 Initialization (1649.22601s) started
T01 << 1462353481.43840003 Initialization (1649.22614s) stopped
T01 >> 1462353481.43853593 Initialization (1649.22616s) started
T01 << 1462353481.43867397 Initialization (1649.22629s) stopped
T01 >> 1462353501.79862499 Initialization (1649.22631s) started
T01 >> 1462353501.85296297 Basic WFS set positions (3.18281s) started
T01 >> 1462353501.85298896 Redistribute (0.05759s) started
T01 << 1462353501.85313010 Redistribute (0.05773s) stopped
T01 << 1462353501.94796991 Basic WFS set positions (3.27782s) stopped
T01 >> 1462353501.94800401 Basis functions set positions (13.65022s) started
T01 << 1462353502.35929608 Basis functions set positions (14.06151s) stopped
T01 >> 1462353502.36016798 TCI: Calculate S, T, P (494.44781s) started
T01 << 1462353517.48131704 TCI: Calculate S, T, P (509.56895s) stopped
T01 >> 1462353517.48138905 blocked summation (130.12968s) started
T01 << 1462353521.43451595 blocked summation (134.08281s) stopped
T01 >> 1462353521.43618894 Scalapack redistribute (7.75718s) started
T01 << 1462353521.49483204 Scalapack redistribute (7.81582s) stopped
T01 >> 1462353521.49515390 blocked summation (134.08285s) started
T01 << 1462353521.66078496 blocked summation (134.24848s) stopped
T01 >> 1462353521.66236210 Scalapack redistribute (7.81586s) started
T01 << 1462353521.85960293 Scalapack redistribute (8.01310s) stopped
T01 >> 1462353521.86093211 Redistribute (0.06553s) started
T01 << 1462353521.86187601 Redistribute (0.06648s) stopped
T01 >> 1462353522.76304793 Redistribute (0.06649s) started
T01 << 1462353522.76399803 Redistribute (0.06744s) stopped
T01 >> 1462353522.77461290 LCAO WFS Initialize (965.27276s) started
T01 >> 1462353522.77464104 Density initialize from wavefunctions (38.87710s) started
T01 >> 1462353522.77506495 Calculate density matrix (22.54957s) started
T01 << 1462353523.48460793 Calculate density matrix (23.25911s) stopped
T01 >> 1462353523.48467898 Construct density (5.54736s) started
T01 << 1462353523.66372705 Construct density (5.72640s) stopped
T01 >> 1462353523.66531301 Symmetrize density (0.00138s) started
T01 << 1462353523.66534591 Symmetrize density (0.00141s) stopped
T01 << 1462353524.00510693 Density initialize from wavefunctions (40.10756s) stopped
T01 >> 1462353524.00570798 Hamiltonian (926.18190s) started
T01 >> 1462353524.00573993 vbar (0.48161s) started
T01 << 1462353524.02179193 vbar (0.49766s) stopped
T01 >> 1462353524.02187991 XC 3D grid (338.71239s) started
T01 >> 1462353524.19682598 van der Waals (326.96376s) started
T01 >> 1462353524.24065208 semilocal (73.13165s) started
T01 << 1462353526.45601010 semilocal (75.34701s) stopped
T01 >> 1462353526.49052405 redistribute (35.31800s) started
T01 << 1462353526.88802910 redistribute (35.71550s) stopped
T01 >> 1462353526.88807893 libvdwxc nonlocal (216.01190s) started
T01 << 1462353533.59746695 libvdwxc nonlocal (222.72129s) stopped
T01 >> 1462353533.59752893 redistribute (35.71554s) started
T01 << 1462353534.24241590 redistribute (36.36043s) stopped
T01 << 1462353534.24359894 van der Waals (337.01053s) stopped
T01 << 1462353534.42600894 XC 3D grid (349.11652s) stopped
T01 >> 1462353534.42607498 Poisson (156.59294s) started
T01 << 1462353539.15759301 Poisson (161.32445s) stopped
T01 >> 1462353539.15769196 Hartree integrate/restrict (2.65099s) started
T01 << 1462353539.17639208 Hartree integrate/restrict (2.66969s) stopped
T01 >> 1462353539.17657304 Hartree integrate/restrict (2.66981s) started
T01 << 1462353539.23787093 Hartree integrate/restrict (2.73111s) stopped
T01 >> 1462353539.26111507 Atomic (219.75288s) started
T01 >> 1462353539.27133107 XC Correction (219.31374s) started
T01 << 1462353545.66972399 XC Correction (225.71213s) stopped
T01 << 1462353545.67280507 Atomic (226.16457s) stopped
T01 >> 1462353545.67301297 Communicate (207.27138s) started
T01 << 1462353552.60393190 Communicate (214.20230s) stopped
T01 << 1462353552.60396194 Hamiltonian (954.78016s) stopped
T01 << 1462353552.60401702 LCAO WFS Initialize (995.10216s) stopped
T01 << 1462353552.61631298 Initialization (1700.04400s) stopped
T01 >> 1462353552.64144492 SCF-cycle (18117.51436s) started
T01 >> 1462353552.64148593 LCAO eigensolver (4507.30533s) started
T01 >> 1462353552.64149904 Potential matrix (144.95602s) started
T01 << 1462353552.90603399 Potential matrix (145.22056s) stopped
T01 >> 1462353552.90610909 DistributedAtomicCorrection (748.59253s) started
T01 << 1462353554.25697398 DistributedAtomicCorrection (749.94340s) stopped
T01 >> 1462353554.25703502 Distribute overlap matrix (652.36510s) started
T01 >> 1462353554.25705791 blocked summation (618.58827s) started
T01 << 1462353555.43117595 blocked summation (619.76239s) stopped
T01 >> 1462353555.43271995 Scalapack redistribute (32.88736s) started
T01 << 1462353555.49012995 Scalapack redistribute (32.94477s) stopped
T01 << 1462353555.49021101 Distribute overlap matrix (653.59828s) stopped
T01 >> 1462353555.49077702 Blacs Orbital Layouts (1547.23709s) started
T01 >> 1462353555.49183297 General diagonalize (1516.34526s) started
T01 << 1462353558.22094798 General diagonalize (1519.07437s) stopped
T01 >> 1462353558.22099805 Redistribute coefs (1.68156s) started
T01 << 1462353558.22365999 Redistribute coefs (1.68422s) stopped
T01 >> 1462353558.22370410 Send coefs to domains (28.35163s) started
T01 << 1462353558.27312589 Send coefs to domains (28.40105s) stopped
T01 << 1462353558.27318192 Blacs Orbital Layouts (1550.01949s) stopped
T01 >> 1462353558.27321196 Calculate projections (1413.67650s) started
T01 << 1462353560.73786998 Calculate projections (1416.14116s) stopped
T01 << 1462353560.73794794 LCAO eigensolver (4515.40179s) stopped
T01 >> 1462353560.73859096 Density (1105.25544s) started
T01 >> 1462353560.73860407 Pseudo density (914.35517s) started
T01 >> 1462353560.73906398 Calculate density matrix (821.91144s) started
T01 << 1462353562.36627197 Calculate density matrix (823.53864s) stopped
T01 >> 1462353562.36634111 Construct density (91.15000s) started
T01 << 1462353562.54577899 Construct density (91.32944s) stopped
T01 >> 1462353562.54716802 Symmetrize density (0.02317s) started
T01 << 1462353562.54720092 Symmetrize density (0.02320s) stopped
T01 << 1462353562.54765391 Pseudo density (916.16422s) stopped
T01 >> 1462353562.54767299 Atomic density matrices (126.63065s) started
T01 << 1462353562.79169393 Atomic density matrices (126.87468s) stopped
T01 >> 1462353562.79173398 Multipole moments (2.05628s) started
T01 << 1462353562.79571104 Multipole moments (2.06026s) stopped
T01 >> 1462353562.79573298 Normalize (0.56753s) started
T01 << 1462353562.79685092 Normalize (0.56864s) stopped
T01 >> 1462353562.79688811 Mix (61.61065s) started
T01 << 1462353562.90216494 Mix (61.71593s) stopped
T01 << 1462353562.90226507 Density (1107.41911s) stopped
T01 >> 1462353562.90235400 Hamiltonian (12504.48624s) started
T01 >> 1462353562.90237188 vbar (7.52060s) started
T01 << 1462353562.91836405 vbar (7.53659s) stopped
T01 >> 1462353562.91843200 XC 3D grid (5421.93475s) started
T01 >> 1462353563.08779192 van der Waals (5233.40814s) started
T01 >> 1462353563.13202405 semilocal (1177.90920s) started
T01 << 1462353565.35439992 semilocal (1180.13158s) stopped
T01 >> 1462353565.38851404 redistribute (570.76711s) started
T01 << 1462353565.77947903 redistribute (571.15807s) stopped
T01 >> 1462353565.77954507 libvdwxc nonlocal (3444.69335s) started
T01 << 1462353572.50197506 libvdwxc nonlocal (3451.41578s) stopped
T01 >> 1462353572.50205898 redistribute (571.15811s) started
T01 << 1462353573.14863610 redistribute (571.80469s) stopped
T01 << 1462353573.14975905 van der Waals (5243.47011s) stopped
T01 << 1462353573.33057690 XC 3D grid (5432.34690s) stopped
T01 >> 1462353573.33062696 Poisson (1107.50203s) started
T01 << 1462353575.72053599 Poisson (1109.89194s) stopped
T01 >> 1462353575.72062802 Hartree integrate/restrict (42.94523s) started
T01 << 1462353575.73998594 Hartree integrate/restrict (42.96459s) stopped
T01 >> 1462353575.74005508 Hartree integrate/restrict (42.96464s) started
T01 << 1462353575.80157208 Hartree integrate/restrict (43.02615s) stopped
T01 >> 1462353575.82188010 Atomic (3340.75805s) started
T01 >> 1462353575.83174801 XC Correction (3333.88431s) started
T01 << 1462353582.22099209 XC Correction (3340.27356s) stopped
T01 << 1462353582.22399092 Atomic (3347.16016s) stopped
T01 >> 1462353582.22408891 Communicate (2572.56436s) started
T01 << 1462353588.92743897 Communicate (2579.26771s) stopped
T01 << 1462353588.92746711 Hamiltonian (12530.51136s) stopped
T01 >> 1462353588.92753792 LCAO eigensolver (4515.40181s) started
T01 >> 1462353588.92755103 Potential matrix (145.22060s) started
T01 << 1462353589.19438410 Potential matrix (145.48743s) stopped
T01 >> 1462353589.19445610 DistributedAtomicCorrection (749.94343s) started
T01 << 1462353590.53848004 DistributedAtomicCorrection (751.28746s) stopped
T01 >> 1462353590.53853798 Distribute overlap matrix (653.59829s) started
T01 >> 1462353590.53855991 blocked summation (619.76243s) started
T01 << 1462353591.72308397 blocked summation (620.94696s) stopped
T01 >> 1462353591.72463489 Scalapack redistribute (32.94481s) started
T01 << 1462353591.78304291 Scalapack redistribute (33.00321s) stopped
T01 << 1462353591.78311992 Distribute overlap matrix (654.84287s) stopped
T01 >> 1462353591.78369093 Blacs Orbital Layouts (1550.01950s) started
T01 >> 1462353591.78476501 General diagonalize (1519.07441s) started
T01 << 1462353594.50912595 General diagonalize (1521.79877s) stopped
T01 >> 1462353594.50919509 Redistribute coefs (1.68425s) started
T01 << 1462353594.51183796 Redistribute coefs (1.68690s) stopped
T01 >> 1462353594.51191711 Send coefs to domains (28.40109s) started
T01 << 1462353594.56183505 Send coefs to domains (28.45101s) stopped
T01 << 1462353594.56188798 Blacs Orbital Layouts (1552.79770s) stopped
T01 >> 1462353594.56194401 Calculate projections (1416.14121s) started
T01 << 1462353597.02632809 Calculate projections (1418.60559s) stopped
T01 << 1462353597.02640700 LCAO eigensolver (4523.50068s) stopped
T01 >> 1462353597.02705503 Density (1107.41913s) started
T01 >> 1462353597.02706790 Pseudo density (916.16423s) started
T01 >> 1462353597.02752495 Calculate density matrix (823.53869s) started
T01 << 1462353598.65313101 Calculate density matrix (825.16429s) stopped
T01 >> 1462353598.65319896 Construct density (91.32947s) started
T01 << 1462353598.83375812 Construct density (91.51003s) stopped
T01 >> 1462353598.83518100 Symmetrize density (0.02321s) started
T01 << 1462353598.83521509 Symmetrize density (0.02324s) stopped
T01 << 1462353598.83567095 Pseudo density (917.97284s) stopped
T01 >> 1462353598.83569098 Atomic density matrices (126.87470s) started
T01 << 1462353599.07870412 Atomic density matrices (127.11772s) stopped
T01 >> 1462353599.07874298 Multipole moments (2.06027s) started
T01 << 1462353599.08268094 Multipole moments (2.06421s) stopped
T01 >> 1462353599.08270407 Normalize (0.56867s) started
T01 << 1462353599.08382511 Normalize (0.56979s) stopped
T01 >> 1462353599.08386111 Mix (61.71602s) started
T01 << 1462353599.19143701 Mix (61.82360s) stopped
T01 << 1462353599.19153190 Density (1109.58361s) stopped
T01 >> 1462353599.19161391 Hamiltonian (12530.51137s) started
T01 >> 1462353599.19162989 vbar (7.53662s) started
T01 << 1462353599.20817304 vbar (7.55317s) stopped
T01 >> 1462353599.20827699 XC 3D grid (5432.34694s) started
T01 >> 1462353599.38576388 van der Waals (5243.47013s) started
T01 >> 1462353599.42901611 semilocal (1180.13166s) started
T01 << 1462353601.67034197 semilocal (1182.37299s) stopped
T01 >> 1462353601.70172095 redistribute (571.80474s) started
T01 << 1462353602.07668805 redistribute (572.17970s) stopped
T01 >> 1462353602.07675195 libvdwxc nonlocal (3451.41584s) started
T01 << 1462353608.77206302 libvdwxc nonlocal (3458.11115s) stopped
T01 >> 1462353608.77215004 redistribute (572.17974s) started
T01 << 1462353609.42039204 redistribute (572.82798s) stopped
T01 << 1462353609.42145896 van der Waals (5253.50582s) stopped
T01 << 1462353609.59996510 XC 3D grid (5442.73862s) stopped
T01 >> 1462353609.60001612 Poisson (1109.89201s) started
T01 << 1462353611.98124909 Poisson (1112.27325s) stopped
T01 >> 1462353611.98134589 Hartree integrate/restrict (43.02619s) started
T01 << 1462353612.00043297 Hartree integrate/restrict (43.04527s) stopped
T01 >> 1462353612.00050092 Hartree integrate/restrict (43.04532s) started
T01 << 1462353612.06238198 Hartree integrate/restrict (43.10720s) stopped
T01 >> 1462353612.08457088 Atomic (3347.16018s) started
T01 >> 1462353612.09428406 XC Correction (3340.27358s) started
T01 << 1462353618.15074611 XC Correction (3346.33004s) stopped
T01 << 1462353618.15376902 Atomic (3353.22938s) stopped
T01 >> 1462353618.15386891 Communicate (2579.26773s) started
T01 << 1462353624.55101204 Communicate (2585.66487s) stopped
T01 << 1462353624.55104089 Hamiltonian (12555.87080s) stopped
T01 >> 1462353624.55111289 LCAO eigensolver (4523.50069s) started
T01 >> 1462353624.55112600 Potential matrix (145.48747s) started
T01 << 1462353624.81618690 Potential matrix (145.75253s) stopped
T01 >> 1462353624.81625891 DistributedAtomicCorrection (751.28749s) started
T01 << 1462353626.15560603 DistributedAtomicCorrection (752.62684s) stopped
T01 >> 1462353626.15566611 Distribute overlap matrix (654.84288s) started
T01 >> 1462353626.15568805 blocked summation (620.94700s) started
T01 << 1462353627.34993601 blocked summation (622.14125s) stopped
T01 >> 1462353627.35149193 Scalapack redistribute (33.00325s) started
T01 << 1462353627.41126108 Scalapack redistribute (33.06302s) stopped
T01 << 1462353627.41133809 Distribute overlap matrix (656.09856s) stopped
T01 >> 1462353627.41191196 Blacs Orbital Layouts (1552.79771s) started
T01 >> 1462353627.41299796 General diagonalize (1521.79881s) started
T01 << 1462353630.14346695 General diagonalize (1524.52928s) stopped
T01 >> 1462353630.14353609 Redistribute coefs (1.68693s) started
T01 << 1462353630.14613605 Redistribute coefs (1.68953s) stopped
T01 >> 1462353630.14621592 Send coefs to domains (28.45105s) started
T01 << 1462353630.19658089 Send coefs to domains (28.50142s) stopped
T01 << 1462353630.19663310 Blacs Orbital Layouts (1555.58243s) stopped
T01 >> 1462353630.19669104 Calculate projections (1418.60565s) started
T01 << 1462353632.66102195 Calculate projections (1421.06998s) stopped
T01 << 1462353632.66110206 LCAO eigensolver (4531.61068s) stopped
T01 >> 1462353632.66182089 Density (1109.58363s) started
T01 >> 1462353632.66183496 Pseudo density (917.97285s) started
T01 >> 1462353632.66229510 Calculate density matrix (825.16434s) started
T01 << 1462353634.29735303 Calculate density matrix (826.79939s) stopped
T01 >> 1462353634.29743791 Construct density (91.51007s) started
T01 << 1462353634.47684407 Construct density (91.68947s) stopped
T01 >> 1462353634.47825098 Symmetrize density (0.02326s) started
T01 << 1462353634.47828388 Symmetrize density (0.02329s) stopped
T01 << 1462353634.47873807 Pseudo density (919.78975s) stopped
T01 >> 1462353634.47875810 Atomic density matrices (127.11774s) started
T01 << 1462353634.72387099 Atomic density matrices (127.36286s) stopped
T01 >> 1462353634.72391200 Multipole moments (2.06422s) started
T01 << 1462353634.72785497 Multipole moments (2.06817s) stopped
T01 >> 1462353634.72787809 Normalize (0.56982s) started
T01 << 1462353634.72899103 Normalize (0.57093s) stopped
T01 >> 1462353634.72902799 Mix (61.82369s) started
T01 << 1462353634.84037304 Mix (61.93504s) stopped
T01 << 1462353634.84042811 Density (1111.76223s) stopped
T01 >> 1462353634.84050608 Hamiltonian (12555.87081s) started
T01 >> 1462353634.84052491 vbar (7.55323s) started
T01 << 1462353634.85655808 vbar (7.56926s) stopped
T01 >> 1462353634.85662103 XC 3D grid (5442.73866s) started
T01 >> 1462353635.03159094 van der Waals (5253.50586s) started
T01 >> 1462353635.07481599 semilocal (1182.37308s) started
T01 << 1462353637.29401207 semilocal (1184.59227s) stopped
T01 >> 1462353637.32633400 redistribute (572.82803s) started
T01 << 1462353637.70858407 redistribute (573.21028s) stopped
T01 >> 1462353637.70865107 libvdwxc nonlocal (3458.11121s) started
T01 << 1462353644.41500998 libvdwxc nonlocal (3464.81757s) stopped
T01 >> 1462353644.41507006 redistribute (573.21032s) started
T01 << 1462353645.06522107 redistribute (573.86047s) stopped
T01 << 1462353645.06638002 van der Waals (5263.54065s) stopped
T01 << 1462353645.24871206 XC 3D grid (5453.13075s) stopped
T01 >> 1462353645.24877191 Poisson (1112.27332s) started
T01 << 1462353647.63123989 Poisson (1114.65579s) stopped
T01 >> 1462353647.63135505 Hartree integrate/restrict (43.10724s) started
T01 << 1462353647.65026903 Hartree integrate/restrict (43.12615s) stopped
T01 >> 1462353647.65041900 Hartree integrate/restrict (43.12625s) started
T01 << 1462353647.71127892 Hartree integrate/restrict (43.18711s) stopped
T01 >> 1462353647.73438811 Atomic (3353.22940s) started
T01 >> 1462353647.74412203 XC Correction (3346.33007s) started
T01 << 1462353653.83151197 XC Correction (3352.41746s) stopped
T01 << 1462353653.83451390 Atomic (3359.32952s) stopped
T01 >> 1462353653.83461308 Communicate (2585.66489s) started
T01 << 1462353659.60828304 Communicate (2591.43856s) stopped
T01 << 1462353659.60831308 Hamiltonian (12580.63862s) stopped
T01 >> 1462353659.60838509 LCAO eigensolver (4531.61069s) started
T01 >> 1462353659.60839796 Potential matrix (145.75257s) started
T01 << 1462353659.87339091 Potential matrix (146.01756s) stopped
T01 >> 1462353659.87346411 DistributedAtomicCorrection (752.62688s) started
T01 << 1462353661.21451092 DistributedAtomicCorrection (753.96792s) stopped
T01 >> 1462353661.21456695 Distribute overlap matrix (656.09857s) started
T01 >> 1462353661.21458912 blocked summation (622.14129s) started
T01 << 1462353662.41348100 blocked summation (623.34018s) stopped
T01 >> 1462353662.41490889 Scalapack redistribute (33.06305s) started
T01 << 1462353662.47365189 Scalapack redistribute (33.12179s) stopped
T01 << 1462353662.47372794 Distribute overlap matrix (657.35773s) stopped
T01 >> 1462353662.47429395 Blacs Orbital Layouts (1555.58244s) started
T01 >> 1462353662.47547793 General diagonalize (1524.52932s) started
T01 << 1462353665.20380807 General diagonalize (1527.25765s) stopped
T01 >> 1462353665.20387697 Redistribute coefs (1.68956s) started
T01 << 1462353665.20759702 Redistribute coefs (1.69328s) stopped
T01 >> 1462353665.20764899 Send coefs to domains (28.50146s) started
T01 << 1462353665.25699806 Send coefs to domains (28.55081s) stopped
T01 << 1462353665.25709891 Blacs Orbital Layouts (1558.36525s) stopped
T01 >> 1462353665.25715709 Calculate projections (1421.07003s) started
T01 << 1462353667.72165108 Calculate projections (1423.53453s) stopped
T01 << 1462353667.72173405 LCAO eigensolver (4539.72404s) stopped
T01 >> 1462353667.72247100 Density (1111.76225s) started
T01 >> 1462353667.72248411 Pseudo density (919.78977s) started
T01 >> 1462353667.72294211 Calculate density matrix (826.79944s) started
T01 << 1462353669.35696697 Calculate density matrix (828.43346s) stopped
T01 >> 1462353669.35705090 Construct density (91.68951s) started
T01 << 1462353669.53639793 Construct density (91.86886s) stopped
T01 >> 1462353669.53778005 Symmetrize density (0.02330s) started
T01 << 1462353669.53781390 Symmetrize density (0.02333s) stopped
T01 << 1462353669.53825498 Pseudo density (921.60554s) stopped
T01 >> 1462353669.53827500 Atomic density matrices (127.36288s) started
T01 << 1462353669.78300691 Atomic density matrices (127.60762s) stopped
T01 >> 1462353669.78304601 Multipole moments (2.06818s) started
T01 << 1462353669.78698993 Multipole moments (2.07213s) stopped
T01 >> 1462353669.78701305 Normalize (0.57096s) started
T01 << 1462353669.78811193 Normalize (0.57206s) stopped
T01 >> 1462353669.78814793 Mix (61.93509s) started
T01 << 1462353669.90306306 Mix (62.05001s) stopped
T01 << 1462353669.90312290 Density (1113.94290s) stopped
T01 >> 1462353669.90320396 Hamiltonian (12580.63863s) started
T01 >> 1462353669.90322304 vbar (7.56930s) started
T01 << 1462353669.91998792 vbar (7.58606s) stopped
T01 >> 1462353669.92005491 XC 3D grid (5453.13080s) started
T01 >> 1462353670.10015106 van der Waals (5263.54069s) started
T01 >> 1462353670.14353299 semilocal (1184.59236s) started
T01 << 1462353672.37531805 semilocal (1186.82414s) stopped
T01 >> 1462353672.40637112 redistribute (573.86052s) started
T01 << 1462353672.78251004 redistribute (574.23666s) stopped
T01 >> 1462353672.78259802 libvdwxc nonlocal (3464.81761s) started
T01 << 1462353679.47094011 libvdwxc nonlocal (3471.50595s) stopped
T01 >> 1462353679.47099900 redistribute (574.23672s) started
T01 << 1462353680.12132192 redistribute (574.88704s) stopped
T01 << 1462353680.12241006 van der Waals (5273.56295s) stopped
T01 << 1462353680.30573606 XC 3D grid (5463.51648s) stopped
T01 >> 1462353680.30578399 Poisson (1114.65588s) started
T01 << 1462353683.27670908 Poisson (1117.62680s) stopped
T01 >> 1462353683.27680492 Hartree integrate/restrict (43.18718s) started
T01 << 1462353683.29592109 Hartree integrate/restrict (43.20630s) stopped
T01 >> 1462353683.29597807 Hartree integrate/restrict (43.20634s) started
T01 << 1462353683.35765791 Hartree integrate/restrict (43.26802s) stopped
T01 >> 1462353683.38076591 Atomic (3359.32954s) started
T01 >> 1462353683.39053297 XC Correction (3352.41748s) started
T01 << 1462353689.54844904 XC Correction (3358.57540s) stopped
T01 << 1462353689.55146408 Atomic (3365.50024s) stopped
T01 >> 1462353689.55156493 Communicate (2591.43858s) started
T01 << 1462353694.98093104 Communicate (2596.86794s) stopped
T01 << 1462353694.98095989 Hamiltonian (12605.71639s) stopped
T01 >> 1462353694.98103189 LCAO eigensolver (4539.72405s) started
T01 >> 1462353694.98104596 Potential matrix (146.01760s) started
T01 << 1462353695.24681497 Potential matrix (146.28337s) stopped
T01 >> 1462353695.24688911 DistributedAtomicCorrection (753.96796s) started
T01 << 1462353696.60540104 DistributedAtomicCorrection (755.32647s) stopped
T01 >> 1462353696.60545897 Distribute overlap matrix (657.35774s) started
T01 >> 1462353696.60548091 blocked summation (623.34022s) started
T01 << 1462353697.75629497 blocked summation (624.49103s) stopped
T01 >> 1462353697.75775290 Scalapack redistribute (33.12183s) started
T01 << 1462353697.81630397 Scalapack redistribute (33.18038s) stopped
T01 << 1462353697.81638408 Distribute overlap matrix (658.56867s) stopped
T01 >> 1462353697.81695008 Blacs Orbital Layouts (1558.36526s) started
T01 >> 1462353697.81809807 General diagonalize (1527.25769s) started
T01 << 1462353700.54932904 General diagonalize (1529.98892s) stopped
T01 >> 1462353700.54939604 Redistribute coefs (1.69332s) started
T01 << 1462353700.55305600 Redistribute coefs (1.69698s) stopped
T01 >> 1462353700.55310202 Send coefs to domains (28.55090s) started
T01 << 1462353700.60149598 Send coefs to domains (28.59929s) stopped
T01 << 1462353700.60181093 Blacs Orbital Layouts (1561.15012s) stopped
T01 >> 1462353700.60187101 Calculate projections (1423.53458s) started
T01 << 1462353703.06642890 Calculate projections (1425.99914s) stopped
T01 << 1462353703.06650805 LCAO eigensolver (4547.80953s) stopped
T01 >> 1462353703.06723595 Density (1113.94292s) started
T01 >> 1462353703.06725001 Pseudo density (921.60555s) started
T01 >> 1462353703.06770492 Calculate density matrix (828.43350s) started
T01 << 1462353704.70196795 Calculate density matrix (830.06777s) stopped
T01 >> 1462353704.70205903 Construct density (91.86889s) started
T01 << 1462353704.88256693 Construct density (92.04940s) stopped
T01 >> 1462353704.88397789 Symmetrize density (0.02334s) started
T01 << 1462353704.88401008 Symmetrize density (0.02338s) stopped
T01 << 1462353704.88445401 Pseudo density (923.42276s) stopped
T01 >> 1462353704.88447309 Atomic density matrices (127.60764s) started
T01 << 1462353705.12746811 Atomic density matrices (127.85064s) stopped
T01 >> 1462353705.12750793 Multipole moments (2.07214s) started
T01 << 1462353705.13144207 Multipole moments (2.07608s) stopped
T01 >> 1462353705.13146400 Normalize (0.57208s) started
T01 << 1462353705.13256001 Normalize (0.57318s) stopped
T01 >> 1462353705.13259602 Mix (62.05006s) started
T01 << 1462353705.25299001 Mix (62.17046s) stopped
T01 << 1462353705.25310111 Density (1116.12878s) stopped
T01 >> 1462353705.25318789 Hamiltonian (12605.71640s) started
T01 >> 1462353705.25320792 vbar (7.58610s) started
T01 << 1462353705.26883698 vbar (7.60173s) stopped
T01 >> 1462353705.26894498 XC 3D grid (5463.51652s) started
T01 >> 1462353705.43994999 van der Waals (5273.56297s) started
T01 >> 1462353705.48335505 semilocal (1186.82422s) started
T01 << 1462353707.70936799 semilocal (1189.05023s) stopped
T01 >> 1462353707.74154592 redistribute (574.88708s) started
T01 << 1462353708.12479997 redistribute (575.27034s) stopped
T01 >> 1462353708.12486506 libvdwxc nonlocal (3471.50599s) started
T01 << 1462353714.78598499 libvdwxc nonlocal (3478.16711s) stopped
T01 >> 1462353714.78607011 redistribute (575.27038s) started
T01 << 1462353715.45376706 redistribute (575.93807s) stopped
T01 << 1462353715.45535898 van der Waals (5283.57838s) stopped
T01 << 1462353715.62895799 XC 3D grid (5473.87653s) stopped
T01 >> 1462353715.62900805 Poisson (1117.62688s) started
T01 << 1462353718.01542807 Poisson (1120.01330s) stopped
T01 >> 1462353718.01552010 Hartree integrate/restrict (43.26805s) started
T01 << 1462353718.03473401 Hartree integrate/restrict (43.28726s) stopped
T01 >> 1462353718.03478003 Hartree integrate/restrict (43.28729s) started
T01 << 1462353718.09705496 Hartree integrate/restrict (43.34957s) stopped
T01 >> 1462353718.11903596 Atomic (3365.50026s) started
T01 >> 1462353718.12897801 XC Correction (3358.57542s) started
T01 << 1462353724.38510704 XC Correction (3364.83155s) stopped
T01 << 1462353724.38812304 Atomic (3371.76934s) stopped
T01 >> 1462353724.38822293 Communicate (2596.86796s) started
T01 << 1462353729.67577195 Communicate (2602.15551s) stopped
T01 << 1462353729.67580009 Hamiltonian (12630.13901s) stopped
T01 >> 1462353729.67587090 LCAO eigensolver (4547.80954s) started
T01 >> 1462353729.67588401 Potential matrix (146.28341s) started
T01 << 1462353729.94056106 Potential matrix (146.54809s) stopped
T01 >> 1462353729.94063497 DistributedAtomicCorrection (755.32651s) started
T01 << 1462353731.31510496 DistributedAtomicCorrection (756.70098s) stopped
T01 >> 1462353731.31516194 Distribute overlap matrix (658.56868s) started
T01 >> 1462353731.31518412 blocked summation (624.49107s) started
T01 << 1462353732.45961595 blocked summation (625.63550s) stopped
T01 >> 1462353732.46137905 Scalapack redistribute (33.18042s) started
T01 << 1462353732.52174997 Scalapack redistribute (33.24079s) stopped
T01 << 1462353732.52185798 Distribute overlap matrix (659.77537s) stopped
T01 >> 1462353732.52244306 Blacs Orbital Layouts (1561.15014s) started
T01 >> 1462353732.52360702 General diagonalize (1529.98896s) started
T01 << 1462353735.26069999 General diagonalize (1532.72605s) stopped
T01 >> 1462353735.26076889 Redistribute coefs (1.69702s) started
T01 << 1462353735.26436591 Redistribute coefs (1.70061s) stopped
T01 >> 1462353735.26441407 Send coefs to domains (28.59933s) started
T01 << 1462353735.31388688 Send coefs to domains (28.64881s) stopped
T01 << 1462353735.31417894 Blacs Orbital Layouts (1563.94188s) stopped
T01 >> 1462353735.31423712 Calculate projections (1425.99920s) started
T01 << 1462353737.77865195 Calculate projections (1428.46361s) stopped
T01 << 1462353737.77891207 LCAO eigensolver (4555.91258s) stopped
T01 >> 1462353737.77962804 Density (1116.12880s) started
T01 >> 1462353737.77964091 Pseudo density (923.42277s) started
T01 >> 1462353737.78009892 Calculate density matrix (830.06781s) started
T01 << 1462353739.42372894 Calculate density matrix (831.71144s) stopped
T01 >> 1462353739.42381692 Construct density (92.04943s) started
T01 << 1462353739.60323811 Construct density (92.22885s) stopped
T01 >> 1462353739.60554790 Symmetrize density (0.02339s) started
T01 << 1462353739.60558105 Symmetrize density (0.02342s) stopped
T01 << 1462353739.60603809 Pseudo density (925.24917s) stopped
T01 >> 1462353739.60605693 Atomic density matrices (127.85067s) started
T01 << 1462353739.84954000 Atomic density matrices (128.09415s) stopped
T01 >> 1462353739.84958005 Multipole moments (2.07609s) started
T01 << 1462353739.85347295 Multipole moments (2.07998s) stopped
T01 >> 1462353739.85349703 Normalize (0.57320s) started
T01 << 1462353739.85460901 Normalize (0.57432s) stopped
T01 >> 1462353739.85465002 Mix (62.17056s) started
T01 << 1462353739.97390103 Mix (62.28981s) stopped
T01 << 1462353739.97395611 Density (1118.32313s) stopped
T01 >> 1462353739.97404599 Hamiltonian (12630.13902s) started
T01 >> 1462353739.97406411 vbar (7.60179s) started
T01 << 1462353739.99065304 vbar (7.61838s) stopped
T01 >> 1462353739.99071908 XC 3D grid (5473.87657s) started
T01 >> 1462353740.16127396 van der Waals (5283.57843s) started
T01 >> 1462353740.20514011 semilocal (1189.05035s) started
T01 << 1462353742.43250608 semilocal (1191.27771s) stopped
T01 >> 1462353742.46517992 redistribute (575.93816s) started
T01 << 1462353742.85387301 redistribute (576.32686s) stopped
T01 >> 1462353742.85395503 libvdwxc nonlocal (3478.16717s) started
T01 << 1462353749.54219007 libvdwxc nonlocal (3484.85540s) stopped
T01 >> 1462353749.54226303 redistribute (576.32691s) started
T01 << 1462353750.20602894 redistribute (576.99068s) stopped
T01 << 1462353750.20742512 van der Waals (5293.62458s) stopped
T01 << 1462353750.38476396 XC 3D grid (5484.27061s) stopped
T01 >> 1462353750.38483596 Poisson (1120.01337s) started
T01 << 1462353752.77762389 Poisson (1122.40616s) stopped
T01 >> 1462353752.77772689 Hartree integrate/restrict (43.34960s) started
T01 << 1462353752.79674506 Hartree integrate/restrict (43.36862s) stopped
T01 >> 1462353752.79687905 Hartree integrate/restrict (43.36871s) started
T01 << 1462353752.85819411 Hartree integrate/restrict (43.43002s) stopped
T01 >> 1462353752.88175297 Atomic (3371.76936s) started
T01 >> 1462353752.89169908 XC Correction (3364.83157s) started
T01 << 1462353759.00967693 XC Correction (3370.94955s) stopped
T01 << 1462353759.01268792 Atomic (3377.90030s) stopped
T01 >> 1462353759.01278591 Communicate (2602.15553s) started
T01 << 1462353764.43027806 Communicate (2607.57302s) stopped
T01 << 1462353764.43030596 Hamiltonian (12654.59528s) stopped
T01 >> 1462353764.43038011 LCAO eigensolver (4555.91260s) started
T01 >> 1462353764.43039298 Potential matrix (146.54812s) started
T01 << 1462353764.69669604 Potential matrix (146.81443s) stopped
T01 >> 1462353764.69676900 DistributedAtomicCorrection (756.70102s) started
T01 << 1462353766.09335208 DistributedAtomicCorrection (758.09760s) stopped
T01 >> 1462353766.09341097 Distribute overlap matrix (659.77539s) started
T01 >> 1462353766.09343290 blocked summation (625.63554s) started
T01 << 1462353767.22614694 blocked summation (626.76826s) stopped
T01 >> 1462353767.22827792 Scalapack redistribute (33.24085s) started
T01 << 1462353767.28573394 Scalapack redistribute (33.29830s) stopped
T01 << 1462353767.28581595 Distribute overlap matrix (660.96779s) stopped
T01 >> 1462353767.28641105 Blacs Orbital Layouts (1563.94189s) started
T01 >> 1462353767.28756094 General diagonalize (1532.72609s) started
T01 << 1462353770.01759195 General diagonalize (1535.45612s) stopped
T01 >> 1462353770.01766205 Redistribute coefs (1.70065s) started
T01 << 1462353770.02055311 Redistribute coefs (1.70354s) stopped
T01 >> 1462353770.02060103 Send coefs to domains (28.64885s) started
T01 << 1462353770.07083988 Send coefs to domains (28.69908s) stopped
T01 << 1462353770.07116199 Blacs Orbital Layouts (1566.72664s) stopped
T01 >> 1462353770.07122111 Calculate projections (1428.46367s) started
T01 << 1462353772.53575301 Calculate projections (1430.92820s) stopped
T01 << 1462353772.53617001 LCAO eigensolver (4564.01839s) stopped
T01 >> 1462353772.53689003 Density (1118.32314s) started
T01 >> 1462353772.53690410 Pseudo density (925.24918s) started
T01 >> 1462353772.53735209 Calculate density matrix (831.71148s) started
T01 << 1462353774.17484999 Calculate density matrix (833.34898s) stopped
T01 >> 1462353774.17494106 Construct density (92.22888s) started
T01 << 1462353774.35435295 Construct density (92.40829s) stopped
T01 >> 1462353774.35668206 Symmetrize density (0.02343s) started
T01 << 1462353774.35671496 Symmetrize density (0.02346s) stopped
T01 << 1462353774.35716701 Pseudo density (927.06944s) stopped
T01 >> 1462353774.35718608 Atomic density matrices (128.09418s) started
T01 << 1462353774.60195899 Atomic density matrices (128.33895s) stopped
T01 >> 1462353774.60199809 Multipole moments (2.08000s) started
T01 << 1462353774.60592389 Multipole moments (2.08393s) stopped
T01 >> 1462353774.60594606 Normalize (0.57434s) started
T01 << 1462353774.60703897 Normalize (0.57544s) stopped
T01 >> 1462353774.60707498 Mix (62.28987s) started
T01 << 1462353774.72646689 Mix (62.40926s) stopped
T01 << 1462353774.72657394 Density (1120.51283s) stopped
T01 >> 1462353774.72666597 Hamiltonian (12654.59530s) started
T01 >> 1462353774.72668505 vbar (7.61842s) started
T01 << 1462353774.74283099 vbar (7.63456s) stopped
T01 >> 1462353774.74290895 XC 3D grid (5484.27067s) started
T01 >> 1462353774.91875291 van der Waals (5293.62464s) started
T01 >> 1462353774.96237898 semilocal (1191.27781s) started
T01 << 1462353777.19830298 semilocal (1193.51374s) stopped
T01 >> 1462353777.22879910 redistribute (576.99078s) started
T01 << 1462353777.59882808 redistribute (577.36081s) stopped
T01 >> 1462353777.59889293 libvdwxc nonlocal (3484.85545s) started
T01 << 1462353784.29125905 libvdwxc nonlocal (3491.54782s) stopped
T01 >> 1462353784.29134202 redistribute (577.36085s) started
T01 << 1462353784.95334291 redistribute (578.02285s) stopped
T01 << 1462353784.95495701 van der Waals (5303.66085s) stopped
T01 << 1462353785.12697697 XC 3D grid (5494.65474s) stopped
T01 >> 1462353785.12702203 Poisson (1122.40624s) started
T01 << 1462353787.50883198 Poisson (1124.78805s) stopped
T01 >> 1462353787.50890589 Hartree integrate/restrict (43.43006s) started
T01 << 1462353787.52807498 Hartree integrate/restrict (43.44923s) stopped
T01 >> 1462353787.52815008 Hartree integrate/restrict (43.44928s) started
T01 << 1462353787.59091902 Hartree integrate/restrict (43.51205s) stopped
T01 >> 1462353787.61271906 Atomic (3377.90031s) started
T01 >> 1462353787.62279391 XC Correction (3370.94958s) started
T01 << 1462353793.83210111 XC Correction (3377.15888s) stopped
T01 << 1462353793.83514404 Atomic (3384.12274s) stopped
T01 >> 1462353793.83524299 Communicate (2607.57304s) started
T01 << 1462353799.10279393 Communicate (2612.84060s) stopped
T01 << 1462353799.10282493 Hamiltonian (12678.97146s) stopped
T01 >> 1462353799.10290003 LCAO eigensolver (4564.01841s) started
T01 >> 1462353799.10294104 Potential matrix (146.81447s) started
T01 << 1462353799.36759996 Potential matrix (147.07912s) stopped
T01 >> 1462353799.36767697 DistributedAtomicCorrection (758.09764s) started
T01 << 1462353800.72969103 DistributedAtomicCorrection (759.45965s) stopped
T01 >> 1462353800.72974801 Distribute overlap matrix (660.96780s) started
T01 >> 1462353800.72977090 blocked summation (626.76830s) started
T01 << 1462353801.88378096 blocked summation (627.92231s) stopped
T01 >> 1462353801.88525605 Scalapack redistribute (33.29834s) started
T01 << 1462353801.94375110 Scalapack redistribute (33.35684s) stopped
T01 << 1462353801.94383502 Distribute overlap matrix (662.18189s) stopped
T01 >> 1462353801.94442892 Blacs Orbital Layouts (1566.72666s) started
T01 >> 1462353801.94600201 General diagonalize (1535.45616s) started
T01 << 1462353804.67514801 General diagonalize (1538.18530s) stopped
T01 >> 1462353804.67521405 Redistribute coefs (1.70358s) started
T01 << 1462353804.67818904 Redistribute coefs (1.70656s) stopped
T01 >> 1462353804.67823696 Send coefs to domains (28.69913s) started
T01 << 1462353804.72668409 Send coefs to domains (28.74758s) stopped
T01 << 1462353804.72714901 Blacs Orbital Layouts (1569.50938s) stopped
T01 >> 1462353804.72720504 Calculate projections (1430.92825s) started
T01 << 1462353807.19154501 Calculate projections (1433.39259s) stopped
T01 << 1462353807.19180703 LCAO eigensolver (4572.10732s) stopped
T01 >> 1462353807.19253492 Density (1120.51285s) started
T01 >> 1462353807.19254804 Pseudo density (927.06946s) started
T01 >> 1462353807.19301009 Calculate density matrix (833.34902s) started
T01 << 1462353808.82169700 Calculate density matrix (834.97771s) stopped
T01 >> 1462353808.82179189 Construct density (92.40832s) started
T01 << 1462353809.00226402 Construct density (92.58880s) stopped
T01 >> 1462353809.00459409 Symmetrize density (0.02348s) started
T01 << 1462353809.00462699 Symmetrize density (0.02351s) stopped
T01 << 1462353809.00507092 Pseudo density (928.88198s) stopped
T01 >> 1462353809.00509095 Atomic density matrices (128.33898s) started
T01 << 1462353809.24893808 Atomic density matrices (128.58283s) stopped
T01 >> 1462353809.24897790 Multipole moments (2.08394s) started
T01 << 1462353809.25289011 Multipole moments (2.08785s) stopped
T01 >> 1462353809.25291204 Normalize (0.57546s) started
T01 << 1462353809.25402999 Normalize (0.57658s) stopped
T01 >> 1462353809.25406599 Mix (62.40936s) started
T01 << 1462353809.37339211 Mix (62.52869s) stopped
T01 << 1462353809.37349296 Density (1122.69380s) stopped
T01 >> 1462353809.37357712 Hamiltonian (12678.97147s) started
T01 >> 1462353809.37359595 vbar (7.63461s) started
T01 << 1462353809.38982296 vbar (7.65083s) stopped
T01 >> 1462353809.38990498 XC 3D grid (5494.65478s) started
T01 >> 1462353809.56826305 van der Waals (5303.66091s) started
T01 >> 1462353809.61047411 semilocal (1193.51381s) started
T01 << 1462353811.82511806 semilocal (1195.72846s) stopped
T01 >> 1462353811.85626507 redistribute (578.02298s) started
T01 << 1462353812.23278809 redistribute (578.39950s) stopped
T01 >> 1462353812.23285294 libvdwxc nonlocal (3491.54788s) started
T01 << 1462353818.90387607 libvdwxc nonlocal (3498.21890s) stopped
T01 >> 1462353818.90395093 redistribute (578.39954s) started
T01 << 1462353819.56994605 redistribute (579.06553s) stopped
T01 << 1462353819.57151699 van der Waals (5313.66416s) stopped
T01 << 1462353819.74184799 XC 3D grid (5505.00672s) stopped
T01 >> 1462353819.74189901 Poisson (1124.78810s) started
T01 << 1462353822.11742711 Poisson (1127.16363s) stopped
T01 >> 1462353822.11749506 Hartree integrate/restrict (43.51208s) started
T01 << 1462353822.13666391 Hartree integrate/restrict (43.53125s) stopped
T01 >> 1462353822.13674212 Hartree integrate/restrict (43.53131s) started
T01 << 1462353822.19963789 Hartree integrate/restrict (43.59420s) stopped
T01 >> 1462353822.22143102 Atomic (3384.12276s) started
T01 >> 1462353822.23155594 XC Correction (3377.15891s) started
T01 << 1462353828.42336702 XC Correction (3383.35072s) stopped
T01 << 1462353828.42640996 Atomic (3390.32773s) stopped
T01 >> 1462353828.42650795 Communicate (2612.84062s) started
T01 << 1462353833.76668906 Communicate (2618.18080s) stopped
T01 << 1462353833.76671910 Hamiltonian (12703.36461s) stopped
T01 >> 1462353833.76678991 LCAO eigensolver (4572.10734s) started
T01 >> 1462353833.76680303 Potential matrix (147.07916s) started
T01 << 1462353834.03114200 Potential matrix (147.34350s) stopped
T01 >> 1462353834.03121305 DistributedAtomicCorrection (759.45969s) started
T01 << 1462353835.39273596 DistributedAtomicCorrection (760.82121s) stopped
T01 >> 1462353835.39279509 Distribute overlap matrix (662.18190s) started
T01 >> 1462353835.39281797 blocked summation (627.92235s) started
T01 << 1462353836.55278707 blocked summation (629.08231s) stopped
T01 >> 1462353836.55456305 Scalapack redistribute (33.35687s) started
T01 << 1462353836.61656809 Scalapack redistribute (33.41888s) stopped
T01 << 1462353836.61665392 Distribute overlap matrix (663.40576s) stopped
T01 >> 1462353836.61725807 Blacs Orbital Layouts (1569.50940s) started
T01 >> 1462353836.61840200 General diagonalize (1538.18534s) started
T01 << 1462353839.32293105 General diagonalize (1540.88987s) stopped
T01 >> 1462353839.32299995 Redistribute coefs (1.70659s) started
T01 << 1462353839.32653999 Redistribute coefs (1.71013s) stopped
T01 >> 1462353839.32658505 Send coefs to domains (28.74762s) started
T01 << 1462353839.37527704 Send coefs to domains (28.79631s) stopped
T01 << 1462353839.37557411 Blacs Orbital Layouts (1572.26772s) stopped
T01 >> 1462353839.37563491 Calculate projections (1433.39264s) started
T01 << 1462353841.84017801 Calculate projections (1435.85719s) stopped
T01 << 1462353841.84044194 LCAO eigensolver (4580.18099s) stopped
T01 >> 1462353841.84116912 Density (1122.69382s) started
T01 >> 1462353841.84118199 Pseudo density (928.88199s) started
T01 >> 1462353841.84163499 Calculate density matrix (834.97775s) started
T01 << 1462353843.47638106 Calculate density matrix (836.61250s) stopped
T01 >> 1462353843.47646999 Construct density (92.58883s) started
T01 << 1462353843.65593791 Construct density (92.76830s) stopped
T01 >> 1462353843.65825009 Symmetrize density (0.02352s) started
T01 << 1462353843.65828395 Symmetrize density (0.02355s) stopped
T01 << 1462353843.65874290 Pseudo density (930.69956s) stopped
T01 >> 1462353843.65876293 Atomic density matrices (128.58285s) started
T01 << 1462353843.90237999 Atomic density matrices (128.82647s) stopped
T01 >> 1462353843.90242004 Multipole moments (2.08787s) started
T01 << 1462353843.90635705 Multipole moments (2.09180s) stopped
T01 >> 1462353843.90637994 Normalize (0.57661s) started
T01 << 1462353843.90747499 Normalize (0.57770s) stopped
T01 >> 1462353843.90751004 Mix (62.52878s) started
T01 << 1462353844.02705312 Mix (62.64833s) stopped
T01 << 1462353844.02715898 Density (1124.87981s) stopped
T01 >> 1462353844.02724099 Hamiltonian (12703.36463s) started
T01 >> 1462353844.02725911 vbar (7.65088s) started
T01 << 1462353844.04339790 vbar (7.66702s) stopped
T01 >> 1462353844.04349399 XC 3D grid (5505.00676s) started
T01 >> 1462353844.21937299 van der Waals (5313.66423s) started
T01 >> 1462353844.26319098 semilocal (1195.72853s) started
T01 << 1462353846.50600004 semilocal (1197.97134s) stopped
T01 >> 1462353846.53991103 redistribute (579.06565s) started
T01 << 1462353846.91568303 redistribute (579.44142s) stopped
T01 >> 1462353846.91574788 libvdwxc nonlocal (3498.21895s) started
T01 << 1462353853.59483790 libvdwxc nonlocal (3504.89804s) stopped
T01 >> 1462353853.59491205 redistribute (579.44146s) started
T01 << 1462353854.25554490 redistribute (580.10210s) stopped
T01 << 1462353854.25706100 van der Waals (5323.70191s) stopped
T01 << 1462353854.43378711 XC 3D grid (5515.39705s) stopped
T01 >> 1462353854.43385911 Poisson (1127.16368s) started
T01 << 1462353856.23134708 Poisson (1128.96117s) stopped
T01 >> 1462353856.23144388 Hartree integrate/restrict (43.59424s) started
T01 << 1462353856.25055194 Hartree integrate/restrict (43.61335s) stopped
T01 >> 1462353856.25070405 Hartree integrate/restrict (43.61347s) started
T01 << 1462353856.31275892 Hartree integrate/restrict (43.67552s) stopped
T01 >> 1462353856.33719301 Atomic (3390.32775s) started
T01 >> 1462353856.34739590 XC Correction (3383.35074s) started
T01 << 1462353862.51643395 XC Correction (3389.51978s) stopped
T01 << 1462353862.51949096 Atomic (3396.51005s) stopped
T01 >> 1462353862.51958990 Communicate (2618.18082s) started
T01 << 1462353867.94631505 Communicate (2623.60754s) stopped
T01 << 1462353867.94634509 Hamiltonian (12727.28373s) stopped
T01 >> 1462353867.94641995 LCAO eigensolver (4580.18101s) started
T01 >> 1462353867.94643402 Potential matrix (147.34354s) started
T01 << 1462353868.21056390 Potential matrix (147.60767s) stopped
T01 >> 1462353868.21063590 DistributedAtomicCorrection (760.82125s) started
T01 << 1462353869.57937503 DistributedAtomicCorrection (762.18999s) stopped
T01 >> 1462353869.57943106 Distribute overlap matrix (663.40578s) started
T01 >> 1462353869.57945299 blocked summation (629.08236s) started
T01 << 1462353870.73545194 blocked summation (630.23836s) stopped
T01 >> 1462353870.73752904 Scalapack redistribute (33.41892s) started
T01 << 1462353870.79625797 Scalapack redistribute (33.47764s) stopped
T01 << 1462353870.79634094 Distribute overlap matrix (664.62268s) stopped
T01 >> 1462353870.79694295 Blacs Orbital Layouts (1572.26773s) started
T01 >> 1462353870.79808903 General diagonalize (1540.88991s) started
T01 << 1462353873.51841402 General diagonalize (1543.61024s) stopped
T01 >> 1462353873.51848197 Redistribute coefs (1.71017s) started
T01 << 1462353873.52148104 Redistribute coefs (1.71317s) stopped
T01 >> 1462353873.52152991 Send coefs to domains (28.79636s) started
T01 << 1462353873.57112908 Send coefs to domains (28.84595s) stopped
T01 << 1462353873.57144904 Blacs Orbital Layouts (1575.04224s) stopped
T01 >> 1462353873.57150507 Calculate projections (1435.85724s) started
T01 << 1462353876.03597498 Calculate projections (1438.32171s) stopped
T01 << 1462353876.03637409 LCAO eigensolver (4588.27096s) stopped
T01 >> 1462353876.03710604 Density (1124.87983s) started
T01 >> 1462353876.03711891 Pseudo density (930.69957s) started
T01 >> 1462353876.03757095 Calculate density matrix (836.61254s) started
T01 << 1462353877.67614102 Calculate density matrix (838.25111s) stopped
T01 >> 1462353877.67622709 Construct density (92.76833s) started
T01 << 1462353877.85565591 Construct density (92.94776s) stopped
T01 >> 1462353877.85799503 Symmetrize density (0.02357s) started
T01 << 1462353877.85802794 Symmetrize density (0.02360s) stopped
T01 << 1462353877.85847402 Pseudo density (932.52093s) stopped
T01 >> 1462353877.85849309 Atomic density matrices (128.82650s) started
T01 << 1462353878.10197306 Atomic density matrices (129.06998s) stopped
T01 >> 1462353878.10201406 Multipole moments (2.09182s) started
T01 << 1462353878.10596108 Multipole moments (2.09577s) stopped
T01 >> 1462353878.10598302 Normalize (0.57773s) started
T01 << 1462353878.10707402 Normalize (0.57882s) stopped
T01 >> 1462353878.10710812 Mix (62.64843s) started
T01 << 1462353878.22645211 Mix (62.76777s) stopped
T01 << 1462353878.22651505 Density (1127.06924s) stopped
T01 >> 1462353878.22659302 Hamiltonian (12727.28374s) started
T01 >> 1462353878.22661209 vbar (7.66708s) started
T01 << 1462353878.24327493 vbar (7.68374s) stopped
T01 >> 1462353878.24333811 XC 3D grid (5515.39711s) started
T01 >> 1462353878.42160010 van der Waals (5323.70202s) started
T01 >> 1462353878.46530199 semilocal (1197.97139s) started
T01 << 1462353880.71201301 semilocal (1200.21810s) stopped
T01 >> 1462353880.74307704 redistribute (580.10222s) started
T01 << 1462353881.11655593 redistribute (580.47569s) stopped
T01 >> 1462353881.11664200 libvdwxc nonlocal (3504.89809s) started
T01 << 1462353887.78208995 libvdwxc nonlocal (3511.56354s) stopped
T01 >> 1462353887.78216410 redistribute (580.47575s) started
T01 << 1462353888.44734406 redistribute (581.14093s) stopped
T01 << 1462353888.44890904 van der Waals (5333.72933s) stopped
T01 << 1462353888.62739706 XC 3D grid (5525.78117s) stopped
T01 >> 1462353888.62744498 Poisson (1128.96124s) started
T01 << 1462353890.42757392 Poisson (1130.76137s) stopped
T01 >> 1462353890.42765188 Hartree integrate/restrict (43.67556s) started
T01 << 1462353890.44672799 Hartree integrate/restrict (43.69464s) stopped
T01 >> 1462353890.44679689 Hartree integrate/restrict (43.69469s) started
T01 << 1462353890.51569605 Hartree integrate/restrict (43.76359s) stopped
T01 >> 1462353890.53227806 Atomic (3396.51007s) started
T01 >> 1462353890.54237509 XC Correction (3389.51981s) started
T01 << 1462353896.72872710 XC Correction (3395.70616s) stopped
T01 << 1462353896.73179007 Atomic (3402.70958s) stopped
T01 >> 1462353896.73188901 Communicate (2623.60756s) started
T01 << 1462353902.17302299 Communicate (2629.04870s) stopped
T01 << 1462353902.17305207 Hamiltonian (12751.23020s) stopped
T01 >> 1462353902.17312598 LCAO eigensolver (4588.27098s) started
T01 >> 1462353902.17314005 Potential matrix (147.60771s) started
T01 << 1462353902.43775201 Potential matrix (147.87232s) stopped
T01 >> 1462353902.43782496 DistributedAtomicCorrection (762.19003s) started
T01 << 1462353903.80019808 DistributedAtomicCorrection (763.55240s) stopped
T01 >> 1462353903.80025601 Distribute overlap matrix (664.62270s) started
T01 >> 1462353903.80027890 blocked summation (630.23839s) started
T01 << 1462353904.98552108 blocked summation (631.42364s) stopped
T01 >> 1462353904.98700595 Scalapack redistribute (33.47768s) started
T01 << 1462353905.04716802 Scalapack redistribute (33.53785s) stopped
T01 << 1462353905.04724598 Distribute overlap matrix (665.86969s) stopped
T01 >> 1462353905.04784298 Blacs Orbital Layouts (1575.04226s) started
T01 >> 1462353905.04942489 General diagonalize (1543.61028s) started
T01 << 1462353907.77136993 General diagonalize (1546.33222s) stopped
T01 >> 1462353907.77143693 Redistribute coefs (1.71320s) started
T01 << 1462353907.77462697 Redistribute coefs (1.71639s) stopped
T01 >> 1462353907.77467704 Send coefs to domains (28.84600s) started
T01 << 1462353907.82419395 Send coefs to domains (28.89551s) stopped
T01 << 1462353907.82469392 Blacs Orbital Layouts (1577.81911s) stopped
T01 >> 1462353907.82475710 Calculate projections (1438.32177s) started
T01 << 1462353910.28909993 Calculate projections (1440.78611s) stopped
T01 << 1462353910.28936911 LCAO eigensolver (4596.38722s) stopped
T01 >> 1462353910.29009509 Density (1127.06926s) started
T01 >> 1462353910.29010797 Pseudo density (932.52094s) started
T01 >> 1462353910.29056311 Calculate density matrix (838.25116s) started
T01 << 1462353911.92420101 Calculate density matrix (839.88479s) stopped
T01 >> 1462353911.92428708 Construct density (92.94779s) started
T01 << 1462353912.10480905 Construct density (93.12831s) stopped
T01 >> 1462353912.10710907 Symmetrize density (0.02361s) started
T01 << 1462353912.10714197 Symmetrize density (0.02364s) stopped
T01 << 1462353912.10758901 Pseudo density (934.33842s) stopped
T01 >> 1462353912.10760903 Atomic density matrices (129.07001s) started
T01 << 1462353912.35006189 Atomic density matrices (129.31246s) stopped
T01 >> 1462353912.35010290 Multipole moments (2.09578s) started
T01 << 1462353912.35410690 Multipole moments (2.09978s) stopped
T01 >> 1462353912.35413003 Normalize (0.57884s) started
T01 << 1462353912.35524201 Normalize (0.57995s) stopped
T01 >> 1462353912.35527706 Mix (62.76783s) started
T01 << 1462353912.47514892 Mix (62.88770s) stopped
T01 << 1462353912.47519708 Density (1129.25436s) stopped
T01 >> 1462353912.47526908 Hamiltonian (12751.23022s) started
T01 >> 1462353912.47528601 vbar (7.68378s) started
T01 << 1462353912.49150801 vbar (7.70000s) stopped
T01 >> 1462353912.49157405 XC 3D grid (5525.78121s) started
T01 >> 1462353912.66885400 van der Waals (5333.72940s) started
T01 >> 1462353912.71251202 semilocal (1200.21817s) started
T01 << 1462353914.93715191 semilocal (1202.44281s) stopped
T01 >> 1462353914.96899700 redistribute (581.14104s) started
T01 << 1462353915.34207797 redistribute (581.51412s) stopped
T01 >> 1462353915.34214306 libvdwxc nonlocal (3511.56359s) started
T01 << 1462353922.04561806 libvdwxc nonlocal (3518.26707s) stopped
T01 >> 1462353922.04570198 redistribute (581.51416s) started
T01 << 1462353922.70683789 redistribute (582.17530s) stopped
T01 << 1462353922.70839500 van der Waals (5343.76894s) stopped
T01 << 1462353922.88419008 XC 3D grid (5536.17382s) stopped
T01 >> 1462353922.88424397 Poisson (1130.76142s) started
T01 << 1462353924.68017912 Poisson (1132.55736s) stopped
T01 >> 1462353924.68024707 Hartree integrate/restrict (43.76363s) started
T01 << 1462353924.69946599 Hartree integrate/restrict (43.78285s) stopped
T01 >> 1462353924.69951105 Hartree integrate/restrict (43.78287s) started
T01 << 1462353924.76140404 Hartree integrate/restrict (43.84477s) stopped
T01 >> 1462353924.78410101 Atomic (3402.70960s) started
T01 >> 1462353924.79422307 XC Correction (3395.70618s) started
T01 << 1462353930.95309401 XC Correction (3401.86505s) stopped
T01 << 1462353930.95615292 Atomic (3408.88165s) stopped
T01 >> 1462353930.95625496 Communicate (2629.04872s) started
T01 << 1462353936.46108794 Communicate (2634.55355s) stopped
T01 << 1462353936.46111798 Hamiltonian (12775.21606s) stopped
T01 >> 1462353936.46119094 LCAO eigensolver (4596.38724s) started
T01 >> 1462353936.46120501 Potential matrix (147.87236s) started
T01 << 1462353936.72694993 Potential matrix (148.13810s) stopped
T01 >> 1462353936.72702193 DistributedAtomicCorrection (763.55244s) started
T01 << 1462353938.09116292 DistributedAtomicCorrection (764.91658s) stopped
T01 >> 1462353938.09122109 Distribute overlap matrix (665.86970s) started
T01 >> 1462353938.09124303 blocked summation (631.42367s) started
T01 << 1462353939.28030205 blocked summation (632.61273s) stopped
T01 >> 1462353939.28200698 Scalapack redistribute (33.53788s) started
T01 << 1462353939.34313703 Scalapack redistribute (33.59901s) stopped
T01 << 1462353939.34321690 Distribute overlap matrix (667.12169s) stopped
T01 >> 1462353939.34381199 Blacs Orbital Layouts (1577.81913s) started
T01 >> 1462353939.34495497 General diagonalize (1546.33226s) started
T01 << 1462353942.07440710 General diagonalize (1549.06171s) stopped
T01 >> 1462353942.07447290 Redistribute coefs (1.71643s) started
T01 << 1462353942.07800007 Redistribute coefs (1.71996s) stopped
T01 >> 1462353942.07804704 Send coefs to domains (28.89556s) started
T01 << 1462353942.12700200 Send coefs to domains (28.94451s) stopped
T01 << 1462353942.12732196 Blacs Orbital Layouts (1580.60264s) stopped
T01 >> 1462353942.12738204 Calculate projections (1440.78616s) started
T01 << 1462353944.59184599 Calculate projections (1443.25063s) stopped
T01 << 1462353944.59211111 LCAO eigensolver (4604.51816s) stopped
T01 >> 1462353944.59282899 Density (1129.25437s) started
T01 >> 1462353944.59284210 Pseudo density (934.33844s) started
T01 >> 1462353944.59330010 Calculate density matrix (839.88484s) started
T01 << 1462353946.23019600 Calculate density matrix (841.52173s) stopped
T01 >> 1462353946.23028207 Construct density (93.12834s) started
T01 << 1462353946.40971708 Construct density (93.30778s) stopped
T01 >> 1462353946.41200495 Symmetrize density (0.02366s) started
T01 << 1462353946.41203904 Symmetrize density (0.02369s) stopped
T01 << 1462353946.41248393 Pseudo density (936.15808s) stopped
T01 >> 1462353946.41250300 Atomic density matrices (129.31249s) started
T01 << 1462353946.65633512 Atomic density matrices (129.55632s) stopped
T01 >> 1462353946.65637493 Multipole moments (2.09980s) started
T01 << 1462353946.66040397 Multipole moments (2.10383s) stopped
T01 >> 1462353946.66042590 Normalize (0.57998s) started
T01 << 1462353946.66152501 Normalize (0.58108s) stopped
T01 >> 1462353946.66156006 Mix (62.88775s) started
T01 << 1462353946.78046393 Mix (63.00666s) stopped
T01 << 1462353946.78055692 Density (1131.44210s) stopped
T01 >> 1462353946.78064108 Hamiltonian (12775.21608s) started
T01 >> 1462353946.78066492 vbar (7.70004s) started
T01 << 1462353946.79695106 vbar (7.71632s) stopped
T01 >> 1462353946.79701900 XC 3D grid (5536.17386s) started
T01 >> 1462353946.96706009 van der Waals (5343.76900s) started
T01 >> 1462353947.01113200 semilocal (1202.44289s) started
T01 << 1462353949.24031591 semilocal (1204.67208s) stopped
T01 >> 1462353949.27480292 redistribute (582.17538s) started
T01 << 1462353949.66667700 redistribute (582.56726s) stopped
T01 >> 1462353949.66675901 libvdwxc nonlocal (3518.26713s) started
T01 << 1462353956.35765409 libvdwxc nonlocal (3524.95802s) stopped
T01 >> 1462353956.35773301 redistribute (582.56731s) started
T01 << 1462353957.01621699 redistribute (583.22579s) stopped
T01 << 1462353957.01763296 van der Waals (5353.81957s) stopped
T01 << 1462353957.19343996 XC 3D grid (5546.57028s) stopped
T01 >> 1462353957.19351411 Poisson (1132.55741s) started
T01 << 1462353958.99180293 Poisson (1134.35570s) stopped
T01 >> 1462353958.99190307 Hartree integrate/restrict (43.84480s) started
T01 << 1462353959.01081705 Hartree integrate/restrict (43.86371s) stopped
T01 >> 1462353959.01092792 Hartree integrate/restrict (43.86380s) started
T01 << 1462353959.07271504 Hartree integrate/restrict (43.92558s) stopped
T01 >> 1462353959.09618807 Atomic (3408.88167s) started
T01 >> 1462353959.10631800 XC Correction (3401.86508s) started
T01 << 1462353965.25685096 XC Correction (3408.01561s) stopped
T01 << 1462353965.25990796 Atomic (3415.04539s) stopped
T01 >> 1462353965.26000690 Communicate (2634.55357s) started
T01 << 1462353970.72990489 Communicate (2640.02347s) stopped
T01 << 1462353970.72993398 Hamiltonian (12799.16537s) stopped
T01 >> 1462353970.73000693 LCAO eigensolver (4604.51818s) started
T01 >> 1462353970.73002005 Potential matrix (148.13814s) started
T01 << 1462353970.99414897 Potential matrix (148.40227s) stopped
T01 >> 1462353970.99422002 DistributedAtomicCorrection (764.91662s) started
T01 << 1462353972.36595106 DistributedAtomicCorrection (766.28835s) stopped
T01 >> 1462353972.36600804 Distribute overlap matrix (667.12171s) started
T01 >> 1462353972.36603093 blocked summation (632.61277s) started
T01 << 1462353973.53829002 blocked summation (633.78503s) stopped
T01 >> 1462353973.54037094 Scalapack redistribute (33.59905s) started
T01 << 1462353973.59866810 Scalapack redistribute (33.65734s) stopped
T01 << 1462353973.59874797 Distribute overlap matrix (668.35445s) stopped
T01 >> 1462353973.59931397 Blacs Orbital Layouts (1580.60266s) started
T01 >> 1462353973.60060096 General diagonalize (1549.06175s) started
T01 << 1462353976.32416201 General diagonalize (1551.78531s) stopped
T01 >> 1462353976.32422900 Redistribute coefs (1.72000s) started
T01 << 1462353976.32725191 Redistribute coefs (1.72302s) stopped
T01 >> 1462353976.32729912 Send coefs to domains (28.94456s) started
T01 << 1462353976.37666607 Send coefs to domains (28.99393s) stopped
T01 << 1462353976.37695098 Blacs Orbital Layouts (1583.38029s) stopped
T01 >> 1462353976.37700796 Calculate projections (1443.25068s) started
T01 << 1462353978.84162402 Calculate projections (1445.71530s) stopped
T01 << 1462353978.84204698 LCAO eigensolver (4612.63022s) stopped
T01 >> 1462353978.84275889 Density (1131.44212s) started
T01 >> 1462353978.84277296 Pseudo density (936.15809s) started
T01 >> 1462353978.84322405 Calculate density matrix (841.52178s) started
T01 << 1462353980.47556591 Calculate density matrix (843.15412s) stopped
T01 >> 1462353980.47565389 Construct density (93.30781s) started
T01 << 1462353980.65504503 Construct density (93.48720s) stopped
T01 >> 1462353980.65736294 Symmetrize density (0.02370s) started
T01 << 1462353980.65739608 Symmetrize density (0.02373s) stopped
T01 << 1462353980.65785098 Pseudo density (937.97317s) stopped
T01 >> 1462353980.65787101 Atomic density matrices (129.55635s) started
T01 << 1462353980.90168405 Atomic density matrices (129.80016s) stopped
T01 >> 1462353980.90172410 Multipole moments (2.10384s) started
T01 << 1462353980.90573812 Multipole moments (2.10786s) stopped
T01 >> 1462353980.90576005 Normalize (0.58110s) started
T01 << 1462353980.90687490 Normalize (0.58222s) stopped
T01 >> 1462353980.90690994 Mix (63.00674s) started
T01 << 1462353981.02638412 Mix (63.12622s) stopped
T01 << 1462353981.02646399 Density (1133.62582s) stopped
T01 >> 1462353981.02661204 Hamiltonian (12799.16539s) started
T01 >> 1462353981.02663207 vbar (7.71636s) started
T01 << 1462353981.04285407 vbar (7.73258s) stopped
T01 >> 1462353981.04292798 XC 3D grid (5546.57034s) started
T01 >> 1462353981.21495008 van der Waals (5353.81967s) started
T01 >> 1462353981.25868511 semilocal (1204.67217s) started
T01 << 1462353983.49894404 semilocal (1206.91243s) stopped
T01 >> 1462353983.52975011 redistribute (583.22589s) started
T01 << 1462353983.90521908 redistribute (583.60136s) stopped
T01 >> 1462353983.90528297 libvdwxc nonlocal (3524.95807s) started
T01 << 1462353990.57957697 libvdwxc nonlocal (3531.63237s) stopped
T01 >> 1462353990.57963800 redistribute (583.60140s) started
T01 << 1462353991.24166799 redistribute (584.26343s) stopped
T01 << 1462353991.24331903 van der Waals (5363.84804s) stopped
T01 << 1462353991.41476607 XC 3D grid (5556.94218s) stopped
T01 >> 1462353991.41481209 Poisson (1134.35577s) started
T01 << 1462353993.21273994 Poisson (1136.15370s) stopped
T01 >> 1462353993.21280909 Hartree integrate/restrict (43.92562s) started
T01 << 1462353993.23183393 Hartree integrate/restrict (43.94464s) stopped
T01 >> 1462353993.23192191 Hartree integrate/restrict (43.94471s) started
T01 << 1462353993.29504299 Hartree integrate/restrict (44.00783s) stopped
T01 >> 1462353993.31790090 Atomic (3415.04540s) started
T01 >> 1462353993.32804799 XC Correction (3408.01564s) started
T01 << 1462353999.49302292 XC Correction (3414.18061s) stopped
T01 << 1462353999.49608397 Atomic (3421.22359s) stopped
T01 >> 1462353999.49618411 Communicate (2640.02349s) started
T01 << 1462354004.95986104 Communicate (2645.48716s) stopped
T01 << 1462354004.95988989 Hamiltonian (12823.09866s) stopped
T01 >> 1462354004.95996308 LCAO eigensolver (4612.63024s) started
T01 >> 1462354004.95997596 Potential matrix (148.40231s) started
T01 << 1462354005.22444606 Potential matrix (148.66678s) stopped
T01 >> 1462354005.22451806 DistributedAtomicCorrection (766.28839s) started
T01 << 1462354006.58688807 DistributedAtomicCorrection (767.65076s) stopped
T01 >> 1462354006.58694601 Distribute overlap matrix (668.35446s) started
T01 >> 1462354006.58696795 blocked summation (633.78507s) started
T01 << 1462354007.73809409 blocked summation (634.93620s) stopped
T01 >> 1462354007.73961401 Scalapack redistribute (33.65738s) started
T01 << 1462354007.79989600 Scalapack redistribute (33.71766s) stopped
T01 << 1462354007.79997611 Distribute overlap matrix (669.56749s) stopped
T01 >> 1462354007.80057001 Blacs Orbital Layouts (1583.38031s) started
T01 >> 1462354007.80217099 General diagonalize (1551.78535s) started
T01 << 1462354010.53214598 General diagonalize (1554.51532s) stopped
T01 >> 1462354010.53221202 Redistribute coefs (1.72306s) started
T01 << 1462354010.53518510 Redistribute coefs (1.72603s) stopped
T01 >> 1462354010.53523207 Send coefs to domains (28.99397s) started
T01 << 1462354010.58388805 Send coefs to domains (29.04262s) stopped
T01 << 1462354010.58435512 Blacs Orbital Layouts (1586.16410s) stopped
T01 >> 1462354010.58441591 Calculate projections (1445.71535s) started
T01 << 1462354013.04871202 Calculate projections (1448.17965s) stopped
T01 << 1462354013.04898095 LCAO eigensolver (4620.71926s) stopped
T01 >> 1462354013.04970908 Density (1133.62590s) started
T01 >> 1462354013.04972196 Pseudo density (937.97318s) started
T01 >> 1462354013.05017805 Calculate density matrix (843.15416s) started
T01 << 1462354014.68151212 Calculate density matrix (844.78550s) stopped
T01 >> 1462354014.68160391 Construct density (93.48723s) started
T01 << 1462354014.86219501 Construct density (93.66782s) stopped
T01 >> 1462354014.86451197 Symmetrize density (0.02375s) started
T01 << 1462354014.86454511 Symmetrize density (0.02378s) stopped
T01 << 1462354014.86500001 Pseudo density (939.78846s) stopped
T01 >> 1462354014.86501908 Atomic density matrices (129.80019s) started
T01 << 1462354015.10745096 Atomic density matrices (130.04262s) stopped
T01 >> 1462354015.10749102 Multipole moments (2.10787s) started
T01 << 1462354015.11150789 Multipole moments (2.11189s) stopped
T01 >> 1462354015.11153102 Normalize (0.58224s) started
T01 << 1462354015.11262989 Normalize (0.58334s) stopped
T01 >> 1462354015.11267090 Mix (63.12629s) started
T01 << 1462354015.23153305 Mix (63.24516s) stopped
T01 << 1462354015.23163605 Density (1135.80783s) stopped
T01 >> 1462354015.23171592 Hamiltonian (12823.09868s) started
T01 >> 1462354015.23173404 vbar (7.73262s) started
T01 << 1462354015.24825191 vbar (7.74914s) stopped
T01 >> 1462354015.24835992 XC 3D grid (5556.94222s) started
T01 >> 1462354015.42238903 van der Waals (5363.84810s) started
T01 >> 1462354015.46579289 semilocal (1206.91252s) started
T01 << 1462354017.69982409 semilocal (1209.14655s) stopped
T01 >> 1462354017.73168802 redistribute (584.26355s) started
T01 << 1462354018.10376000 redistribute (584.63562s) stopped
T01 >> 1462354018.10382509 libvdwxc nonlocal (3531.63241s) started
T01 << 1462354024.78942299 libvdwxc nonlocal (3538.31801s) stopped
T01 >> 1462354024.78950691 redistribute (584.63566s) started
T01 << 1462354025.45109797 redistribute (585.29725s) stopped
T01 << 1462354025.45283294 van der Waals (5373.87854s) stopped
T01 << 1462354025.62352705 XC 3D grid (5567.31738s) stopped
T01 >> 1462354025.62357497 Poisson (1136.15375s) started
T01 << 1462354026.83441091 Poisson (1137.36459s) stopped
T01 >> 1462354026.83448410 Hartree integrate/restrict (44.00786s) started
T01 << 1462354026.85384703 Hartree integrate/restrict (44.02723s) stopped
T01 >> 1462354026.85389304 Hartree integrate/restrict (44.02726s) started
T01 << 1462354026.91681409 Hartree integrate/restrict (44.09018s) stopped
T01 >> 1462354026.93841290 Atomic (3421.22360s) started
T01 >> 1462354026.94845295 XC Correction (3414.18063s) started
T01 << 1462354033.10914207 XC Correction (3420.34132s) stopped
T01 << 1462354033.11216402 Atomic (3427.39736s) stopped
T01 >> 1462354033.11226201 Communicate (2645.48718s) started
T01 << 1462354038.59779000 Communicate (2650.97271s) stopped
T01 << 1462354038.59781694 Hamiltonian (12846.46478s) stopped
T01 >> 1462354038.59788895 LCAO eigensolver (4620.71927s) started
T01 >> 1462354038.59790206 Potential matrix (148.66682s) started
T01 << 1462354038.86387897 Potential matrix (148.93280s) stopped
T01 >> 1462354038.86395097 DistributedAtomicCorrection (767.65079s) started
T01 << 1462354040.22534394 DistributedAtomicCorrection (769.01219s) stopped
T01 >> 1462354040.22539997 Distribute overlap matrix (669.56750s) started
T01 >> 1462354040.22542310 blocked summation (634.93624s) started
T01 << 1462354041.35784197 blocked summation (636.06865s) stopped
T01 >> 1462354041.35950899 Scalapack redistribute (33.71770s) started
T01 << 1462354041.41944408 Scalapack redistribute (33.77763s) stopped
T01 << 1462354041.41952395 Distribute overlap matrix (670.76162s) stopped
T01 >> 1462354041.42013001 Blacs Orbital Layouts (1586.16411s) started
T01 >> 1462354041.42126894 General diagonalize (1554.51536s) started
T01 << 1462354044.13495708 General diagonalize (1557.22905s) stopped
T01 >> 1462354044.13502407 Redistribute coefs (1.72607s) started
T01 << 1462354044.13854599 Redistribute coefs (1.72959s) stopped
T01 >> 1462354044.13859296 Send coefs to domains (29.04266s) started
T01 << 1462354044.18699193 Send coefs to domains (29.09106s) stopped
T01 << 1462354044.18728805 Blacs Orbital Layouts (1588.93127s) stopped
T01 >> 1462354044.18734407 Calculate projections (1448.17970s) started
T01 << 1462354046.65183306 Calculate projections (1450.64419s) stopped
T01 << 1462354046.65209603 LCAO eigensolver (4628.77348s) stopped
T01 >> 1462354046.65281200 Density (1135.80785s) started
T01 >> 1462354046.65282607 Pseudo density (939.78848s) started
T01 >> 1462354046.65328097 Calculate density matrix (844.78554s) started
T01 << 1462354048.28619504 Calculate density matrix (846.41846s) stopped
T01 >> 1462354048.28628111 Construct density (93.66786s) started
T01 << 1462354048.46582508 Construct density (93.84740s) stopped
T01 >> 1462354048.46813202 Symmetrize density (0.02379s) started
T01 << 1462354048.46816707 Symmetrize density (0.02383s) stopped
T01 << 1462354048.46861005 Pseudo density (941.60426s) stopped
T01 >> 1462354048.46866107 Atomic density matrices (130.04265s) started
T01 << 1462354048.71211195 Atomic density matrices (130.28610s) stopped
T01 >> 1462354048.71215200 Multipole moments (2.11191s) started
T01 << 1462354048.71615601 Multipole moments (2.11591s) stopped
T01 >> 1462354048.71617889 Normalize (0.58337s) started
T01 << 1462354048.71728992 Normalize (0.58448s) stopped
T01 >> 1462354048.71732497 Mix (63.24526s) started
T01 << 1462354048.83674598 Mix (63.36468s) stopped
T01 << 1462354048.83683300 Density (1137.99187s) stopped
T01 >> 1462354048.83691502 Hamiltonian (12846.46479s) started
T01 >> 1462354048.83693409 vbar (7.74920s) started
T01 << 1462354048.85324192 vbar (7.76551s) stopped
T01 >> 1462354048.85330606 XC 3D grid (5567.31742s) started
T01 >> 1462354049.02865791 van der Waals (5373.87866s) started
T01 >> 1462354049.07185507 semilocal (1209.14663s) started
T01 << 1462354051.30344105 semilocal (1211.37821s) stopped
T01 >> 1462354051.33534098 redistribute (585.29737s) started
T01 << 1462354051.71160293 redistribute (585.67364s) stopped
T01 >> 1462354051.71167207 libvdwxc nonlocal (3538.31806s) started
T01 << 1462354058.41582108 libvdwxc nonlocal (3545.02221s) stopped
T01 >> 1462354058.41587996 redistribute (585.67367s) started
T01 << 1462354059.07621408 redistribute (586.33401s) stopped
T01 << 1462354059.07771301 van der Waals (5383.92772s) stopped
T01 << 1462354059.25688696 XC 3D grid (5577.72100s) stopped
T01 >> 1462354059.25695109 Poisson (1137.36464s) started
T01 << 1462354061.05518889 Poisson (1139.16288s) stopped
T01 >> 1462354061.05529308 Hartree integrate/restrict (44.09021s) started
T01 << 1462354061.07426310 Hartree integrate/restrict (44.10918s) stopped
T01 >> 1462354061.07442808 Hartree integrate/restrict (44.10929s) started
T01 << 1462354061.14224100 Hartree integrate/restrict (44.17710s) stopped
T01 >> 1462354061.16133809 Atomic (3427.39737s) started
T01 >> 1462354061.17135811 XC Correction (3420.34135s) started
T01 << 1462354067.31283092 XC Correction (3426.48282s) stopped
T01 << 1462354067.31585908 Atomic (3433.55189s) stopped
T01 >> 1462354067.31595898 Communicate (2650.97273s) started
T01 << 1462354072.85135388 Communicate (2656.50813s) stopped
T01 << 1462354072.85138202 Hamiltonian (12870.47926s) stopped
T01 >> 1462354072.85145497 LCAO eigensolver (4628.77350s) started
T01 >> 1462354072.85146904 Potential matrix (148.93283s) started
T01 << 1462354073.11583805 Potential matrix (149.19720s) stopped
T01 >> 1462354073.11590910 DistributedAtomicCorrection (769.01223s) started
T01 << 1462354074.47571206 DistributedAtomicCorrection (770.37203s) stopped
T01 >> 1462354074.47577000 Distribute overlap matrix (670.76164s) started
T01 >> 1462354074.47579288 blocked summation (636.06869s) started
T01 << 1462354075.57275891 blocked summation (637.16566s) stopped
T01 >> 1462354075.57491302 Scalapack redistribute (33.77767s) started
T01 << 1462354075.63405299 Scalapack redistribute (33.83681s) stopped
T01 << 1462354075.63413191 Distribute overlap matrix (671.92000s) stopped
T01 >> 1462354075.63472605 Blacs Orbital Layouts (1588.93129s) started
T01 >> 1462354075.63587904 General diagonalize (1557.22909s) started
T01 << 1462354078.38237906 General diagonalize (1559.97559s) stopped
T01 >> 1462354078.38244605 Redistribute coefs (1.72962s) started
T01 << 1462354078.38548899 Redistribute coefs (1.73267s) stopped
T01 >> 1462354078.38553596 Send coefs to domains (29.09111s) started
T01 << 1462354078.43465209 Send coefs to domains (29.14023s) stopped
T01 << 1462354078.43495989 Blacs Orbital Layouts (1591.73152s) stopped
T01 >> 1462354078.43501210 Calculate projections (1450.64424s) started
T01 << 1462354080.89943004 Calculate projections (1453.10866s) stopped
T01 << 1462354080.89984202 LCAO eigensolver (4636.82189s) stopped
T01 >> 1462354080.90056205 Density (1137.99189s) started
T01 >> 1462354080.90057492 Pseudo density (941.60431s) started
T01 >> 1462354080.90103507 Calculate density matrix (846.41850s) started
T01 << 1462354082.53726792 Calculate density matrix (848.05474s) stopped
T01 >> 1462354082.53735495 Construct density (93.84743s) started
T01 << 1462354082.71680999 Construct density (94.02689s) stopped
T01 >> 1462354082.71913409 Symmetrize density (0.02384s) started
T01 << 1462354082.71916795 Symmetrize density (0.02387s) stopped
T01 << 1462354082.71961403 Pseudo density (943.42335s) stopped
T01 >> 1462354082.71963310 Atomic density matrices (130.28613s) started
T01 << 1462354082.96400809 Atomic density matrices (130.53050s) stopped
T01 >> 1462354082.96404791 Multipole moments (2.11593s) started
T01 << 1462354082.96808290 Multipole moments (2.11996s) stopped
T01 >> 1462354082.96810508 Normalize (0.58451s) started
T01 << 1462354082.96920800 Normalize (0.58561s) stopped
T01 >> 1462354082.96924305 Mix (63.36476s) started
T01 << 1462354083.08840895 Mix (63.48393s) stopped
T01 << 1462354083.08850193 Density (1140.17983s) stopped
T01 >> 1462354083.08858204 Hamiltonian (12870.47927s) started
T01 >> 1462354083.08859897 vbar (7.76555s) started
T01 << 1462354083.10521412 vbar (7.78216s) stopped
T01 >> 1462354083.10532308 XC 3D grid (5577.72105s) started
T01 >> 1462354083.28353310 van der Waals (5383.92779s) started
T01 >> 1462354083.32644105 semilocal (1211.37829s) started
T01 << 1462354085.56714106 semilocal (1213.61899s) stopped
T01 >> 1462354085.59836793 redistribute (586.33411s) started
T01 << 1462354085.96935010 redistribute (586.70509s) stopped
T01 >> 1462354085.96941710 libvdwxc nonlocal (3545.02225s) started
T01 << 1462354092.64802909 libvdwxc nonlocal (3551.70086s) stopped
T01 >> 1462354092.64809608 redistribute (586.70513s) started
T01 << 1462354093.31067300 redistribute (587.36771s) stopped
T01 << 1462354093.31226802 van der Waals (5393.95652s) stopped
T01 << 1462354093.48813295 XC 3D grid (5588.10386s) stopped
T01 >> 1462354093.48817992 Poisson (1139.16296s) started
T01 << 1462354095.28518701 Poisson (1140.95997s) stopped
T01 >> 1462354095.28527093 Hartree integrate/restrict (44.17713s) started
T01 << 1462354095.30436110 Hartree integrate/restrict (44.19622s) stopped
T01 >> 1462354095.30444098 Hartree integrate/restrict (44.19628s) started
T01 << 1462354095.36680889 Hartree integrate/restrict (44.25864s) stopped
T01 >> 1462354095.38955593 Atomic (3433.55191s) started
T01 >> 1462354095.39963293 XC Correction (3426.48285s) started
T01 << 1462354101.55623794 XC Correction (3432.63945s) stopped
T01 << 1462354101.55928206 Atomic (3439.72164s) stopped
T01 >> 1462354101.55937910 Communicate (2656.50815s) started
T01 << 1462354106.96837401 Communicate (2661.91714s) stopped
T01 << 1462354106.96840191 Hamiltonian (12894.35909s) stopped
T01 >> 1462354106.96847391 LCAO eigensolver (4636.82191s) started
T01 >> 1462354106.96848702 Potential matrix (149.19724s) started
T01 << 1462354107.23368597 Potential matrix (149.46244s) stopped
T01 >> 1462354107.23375893 DistributedAtomicCorrection (770.37207s) started
T01 << 1462354108.60843205 DistributedAtomicCorrection (771.74674s) stopped
T01 >> 1462354108.60848999 Distribute overlap matrix (671.92001s) started
T01 >> 1462354108.60851192 blocked summation (637.16570s) started
T01 << 1462354109.73659492 blocked summation (638.29378s) stopped
T01 >> 1462354109.73811197 Scalapack redistribute (33.83685s) started
T01 << 1462354109.79976892 Scalapack redistribute (33.89850s) stopped
T01 << 1462354109.79984808 Distribute overlap matrix (673.11137s) stopped
T01 >> 1462354109.80044293 Blacs Orbital Layouts (1591.73154s) started
T01 >> 1462354109.80202603 General diagonalize (1559.97563s) started
T01 << 1462354112.50707889 General diagonalize (1562.68068s) stopped
T01 >> 1462354112.50714803 Redistribute coefs (1.73270s) started
T01 << 1462354112.51024890 Redistribute coefs (1.73581s) stopped
T01 >> 1462354112.51029611 Send coefs to domains (29.14027s) started
T01 << 1462354112.56041002 Send coefs to domains (29.19038s) stopped
T01 << 1462354112.56091094 Blacs Orbital Layouts (1594.49201s) stopped
T01 >> 1462354112.56097102 Calculate projections (1453.10871s) started
T01 << 1462354115.02523303 Calculate projections (1455.57297s) stopped
T01 << 1462354115.02553797 LCAO eigensolver (4644.87897s) stopped
T01 << 1462354115.02626491 SCF-cycle (18679.89918s) stopped
T01 >> 1462354115.96609902 Force calculation (1016.02565s) started
T01 >> 1462354115.96616292 LCAO forces (631.66265s) started
T01 >> 1462354115.96651506 Initial (0.00076s) started
T01 << 1462354115.96652699 Initial (0.00077s) stopped
T01 >> 1462354115.97079992 Get density matrix (123.26068s) started
T01 << 1462354116.57522202 Get density matrix (123.86510s) stopped
T01 >> 1462354116.57528901 Potential (45.25700s) started
T01 << 1462354117.98497391 Potential (46.66668s) stopped
T01 >> 1462354117.98503804 Get density matrix (123.86514s) started
T01 << 1462354121.26207209 Get density matrix (127.14217s) stopped
T01 >> 1462354121.26219511 Prepare TCI loop (62.46336s) started
T01 >> 1462354121.26268697 Get neighbors (57.57987s) started
T01 << 1462354123.08631706 Get neighbors (59.40350s) stopped
T01 >> 1462354123.08655095 broadcast dH (4.86029s) started
T01 << 1462354123.10952401 broadcast dH (4.88327s) stopped
T01 << 1462354123.10957193 Prepare TCI loop (64.31073s) stopped
T01 >> 1462354123.10959196 Not so complicated loop (88.83860s) started
T01 << 1462354125.91798902 Not so complicated loop (91.64700s) stopped
T01 >> 1462354126.04604793 Complicated loop (307.36830s) started
T01 << 1462354135.58325696 Complicated loop (316.90551s) stopped
T01 >> 1462354135.59568310 Wait for sum (0.00184s) started
T01 << 1462354135.59572411 Wait for sum (0.00188s) stopped
T01 << 1462354135.59573698 LCAO forces (651.29223s) stopped
T01 << 1462354148.86677504 Force calculation (1048.92633s) stopped
T01 >> 1462354148.88439608 Initialization (1700.04401s) started
T01 << 1462354148.88458300 Initialization (1700.04420s) stopped
T01 >> 1462354148.88481402 Initialization (1700.04422s) started
T01 << 1462354148.88494301 Initialization (1700.04435s) stopped
T01 >> 1462354148.88507509 Initialization (1700.04436s) started
T01 << 1462354148.88520002 Initialization (1700.04449s) stopped
T01 >> 1462354169.21344590 Initialization (1700.04450s) started
T01 >> 1462354169.27499008 Basic WFS set positions (3.27784s) started
T01 >> 1462354169.27501702 Redistribute (0.05775s) started
T01 << 1462354169.28022099 Redistribute (0.06295s) stopped
T01 << 1462354169.37319112 Basic WFS set positions (3.37604s) stopped
T01 >> 1462354169.37322092 Basis functions set positions (14.06155s) started
T01 << 1462354169.77665710 Basis functions set positions (14.46498s) stopped
T01 >> 1462354169.77751088 TCI: Calculate S, T, P (509.56899s) started
T01 << 1462354184.84521794 TCI: Calculate S, T, P (524.63670s) stopped
T01 >> 1462354184.84528899 blocked summation (134.24853s) started
T01 << 1462354188.83278704 blocked summation (138.23602s) stopped
T01 >> 1462354188.83423901 Scalapack redistribute (8.01314s) started
T01 << 1462354188.89365506 Scalapack redistribute (8.07256s) stopped
T01 >> 1462354188.89399910 blocked summation (138.23607s) started
T01 << 1462354189.06391907 blocked summation (138.40599s) stopped
T01 >> 1462354189.06544089 Scalapack redistribute (8.07262s) started
T01 << 1462354189.26535606 Scalapack redistribute (8.27254s) stopped
T01 >> 1462354189.26682591 Redistribute (0.06748s) started
T01 << 1462354189.26780510 Redistribute (0.06845s) stopped
T01 >> 1462354190.18735409 Redistribute (0.06847s) started
T01 << 1462354190.18835902 Redistribute (0.06948s) stopped
T01 >> 1462354190.19897604 LCAO WFS Initialize (995.10217s) started
T01 >> 1462354190.19900489 Density initialize from wavefunctions (40.10773s) started
T01 >> 1462354190.19940805 Calculate density matrix (23.25916s) started
T01 << 1462354190.89538193 Calculate density matrix (23.95513s) stopped
T01 >> 1462354190.89544892 Construct density (5.72644s) started
T01 << 1462354191.07557297 Construct density (5.90656s) stopped
T01 >> 1462354191.07719898 Symmetrize density (0.00142s) started
T01 << 1462354191.07722998 Symmetrize density (0.00146s) stopped
T01 << 1462354191.41972804 Density initialize from wavefunctions (41.32846s) stopped
T01 >> 1462354191.42032409 Hamiltonian (954.78017s) started
T01 >> 1462354191.42036605 vbar (0.49771s) started
T01 << 1462354191.43672299 vbar (0.51407s) stopped
T01 >> 1462354191.43681097 XC 3D grid (349.11657s) started
T01 >> 1462354191.60946703 van der Waals (337.01057s) started
T01 >> 1462354191.65121198 semilocal (75.34711s) started
T01 << 1462354193.87056088 semilocal (77.56645s) stopped
T01 >> 1462354193.90316010 redistribute (36.36048s) started
T01 << 1462354194.28702688 redistribute (36.74435s) stopped
T01 >> 1462354194.28707790 libvdwxc nonlocal (222.72133s) started
T01 << 1462354200.98811793 libvdwxc nonlocal (229.42237s) stopped
T01 >> 1462354200.98817611 redistribute (36.74438s) started
T01 << 1462354201.62478590 redistribute (37.38099s) stopped
T01 << 1462354201.62613010 van der Waals (347.02724s) stopped
T01 << 1462354201.80789399 XC 3D grid (359.48766s) stopped
T01 >> 1462354201.80793810 Poisson (161.32453s) started
T01 << 1462354206.51327991 Poisson (166.02987s) stopped
T01 >> 1462354206.51334596 Hartree integrate/restrict (2.73115s) started
T01 << 1462354206.53239298 Hartree integrate/restrict (2.75020s) stopped
T01 >> 1462354206.53245997 Hartree integrate/restrict (2.75024s) started
T01 << 1462354206.59404492 Hartree integrate/restrict (2.81183s) stopped
T01 >> 1462354206.61342502 Atomic (226.16459s) started
T01 >> 1462354206.62369895 XC Correction (225.71216s) started
T01 << 1462354212.98467493 XC Correction (232.07313s) stopped
T01 << 1462354212.98773098 Atomic (232.53889s) stopped
T01 >> 1462354212.98794293 Communicate (214.20232s) started
T01 << 1462354219.84575891 Communicate (221.06014s) stopped
T01 << 1462354219.84578705 Hamiltonian (983.20564s) stopped
T01 << 1462354219.84583902 LCAO WFS Initialize (1024.74904s) stopped
T01 << 1462354219.85828209 Initialization (1750.68934s) stopped
T01 >> 1462354219.88355708 SCF-cycle (18679.89919s) started
T01 >> 1462354219.88360310 LCAO eigensolver (4644.87899s) started
T01 >> 1462354219.88361502 Potential matrix (149.46248s) started
T01 << 1462354220.14922810 Potential matrix (149.72809s) stopped
T01 >> 1462354220.14930391 DistributedAtomicCorrection (771.74678s) started
T01 << 1462354221.47614408 DistributedAtomicCorrection (773.07362s) stopped
T01 >> 1462354221.47620606 Distribute overlap matrix (673.11138s) started
T01 >> 1462354221.47622800 blocked summation (638.29382s) started
T01 << 1462354222.63899589 blocked summation (639.45658s) stopped
T01 >> 1462354222.64046311 Scalapack redistribute (33.89854s) started
T01 << 1462354222.69890690 Scalapack redistribute (33.95698s) stopped
T01 << 1462354222.69898891 Distribute overlap matrix (674.33416s) stopped
T01 >> 1462354222.69955492 Blacs Orbital Layouts (1594.49203s) started
T01 >> 1462354222.70171309 General diagonalize (1562.68072s) started
T01 << 1462354225.45099401 General diagonalize (1565.43000s) stopped
T01 >> 1462354225.45104289 Redistribute coefs (1.73584s) started
T01 << 1462354225.45376301 Redistribute coefs (1.73856s) stopped
T01 >> 1462354225.45380902 Send coefs to domains (29.19042s) started
T01 << 1462354225.50364900 Send coefs to domains (29.24026s) stopped
T01 << 1462354225.50426698 Blacs Orbital Layouts (1597.29674s) stopped
T01 >> 1462354225.50430298 Calculate projections (1455.57306s) started
T01 << 1462354227.94692898 Calculate projections (1458.01569s) stopped
T01 << 1462354227.94700909 LCAO eigensolver (4652.94240s) stopped
T01 >> 1462354227.94765711 Density (1140.17985s) started
T01 >> 1462354227.94766998 Pseudo density (943.42336s) started
T01 >> 1462354227.94807005 Calculate density matrix (848.05478s) started
T01 << 1462354229.58593297 Calculate density matrix (849.69264s) stopped
T01 >> 1462354229.58599710 Construct density (94.02692s) started
T01 << 1462354229.76786494 Construct density (94.20879s) stopped
T01 >> 1462354229.76929688 Symmetrize density (0.02388s) started
T01 << 1462354229.76933098 Symmetrize density (0.02392s) stopped
T01 << 1462354229.76979804 Pseudo density (945.24549s) stopped
T01 >> 1462354229.76981711 Atomic density matrices (130.53053s) started
T01 << 1462354230.01317406 Atomic density matrices (130.77389s) stopped
T01 >> 1462354230.01324391 Multipole moments (2.11998s) started
T01 << 1462354230.01729012 Multipole moments (2.12402s) stopped
T01 >> 1462354230.01731205 Normalize (0.58564s) started
T01 << 1462354230.01835799 Normalize (0.58668s) stopped
T01 >> 1462354230.01839209 Mix (63.48402s) started
T01 << 1462354230.12457395 Mix (63.59020s) stopped
T01 << 1462354230.12465310 Density (1142.35684s) stopped
T01 >> 1462354230.12473798 Hamiltonian (12894.35910s) started
T01 >> 1462354230.12475610 vbar (7.78223s) started
T01 << 1462354230.14071488 vbar (7.79819s) stopped
T01 >> 1462354230.14081407 XC 3D grid (5588.10390s) started
T01 >> 1462354230.30958700 van der Waals (5393.95658s) started
T01 >> 1462354230.35332990 semilocal (1213.61905s) started
T01 << 1462354232.57101297 semilocal (1215.83673s) stopped
T01 >> 1462354232.60376310 redistribute (587.36780s) started
T01 << 1462354232.99210691 redistribute (587.75614s) stopped
T01 >> 1462354232.99217606 libvdwxc nonlocal (3551.70091s) started
T01 << 1462354239.70162296 libvdwxc nonlocal (3558.41036s) stopped
T01 >> 1462354239.70172310 redistribute (587.75618s) started
T01 << 1462354240.35220003 redistribute (588.40666s) stopped
T01 << 1462354240.35321307 van der Waals (5404.00021s) stopped
T01 << 1462354240.53337502 XC 3D grid (5598.49646s) stopped
T01 >> 1462354240.53343391 Poisson (1140.96003s) started
T01 << 1462354242.32869101 Poisson (1142.75529s) stopped
T01 >> 1462354242.32882190 Hartree integrate/restrict (44.25868s) started
T01 << 1462354242.34769106 Hartree integrate/restrict (44.27755s) stopped
T01 >> 1462354242.34786296 Hartree integrate/restrict (44.27766s) started
T01 << 1462354242.40981007 Hartree integrate/restrict (44.33961s) stopped
T01 >> 1462354242.43293595 Atomic (3439.72166s) started
T01 >> 1462354242.44286299 XC Correction (3432.63948s) started
T01 << 1462354248.69997191 XC Correction (3438.89658s) stopped
T01 << 1462354248.70295501 Atomic (3445.99167s) stopped
T01 >> 1462354248.70305300 Communicate (2661.91716s) started
T01 << 1462354255.27668810 Communicate (2668.49079s) stopped
T01 << 1462354255.27671695 Hamiltonian (12919.51108s) stopped
T01 >> 1462354255.27678895 LCAO eigensolver (4652.94241s) started
T01 >> 1462354255.27680206 Potential matrix (149.72813s) started
T01 << 1462354255.54330492 Potential matrix (149.99463s) stopped
T01 >> 1462354255.54338002 DistributedAtomicCorrection (773.07365s) started
T01 << 1462354256.86977506 DistributedAtomicCorrection (774.40005s) stopped
T01 >> 1462354256.86983299 Distribute overlap matrix (674.33418s) started
T01 >> 1462354256.86985493 blocked summation (639.45662s) started
T01 << 1462354258.03604293 blocked summation (640.62281s) stopped
T01 >> 1462354258.03751707 Scalapack redistribute (33.95702s) started
T01 << 1462354258.09536004 Scalapack redistribute (34.01486s) stopped
T01 << 1462354258.09544206 Distribute overlap matrix (675.55978s) stopped
T01 >> 1462354258.09601998 Blacs Orbital Layouts (1597.29676s) started
T01 >> 1462354258.09736896 General diagonalize (1565.43004s) started
T01 << 1462354260.81545401 General diagonalize (1568.14812s) stopped
T01 >> 1462354260.81550193 Redistribute coefs (1.73860s) started
T01 << 1462354260.81818700 Redistribute coefs (1.74128s) stopped
T01 >> 1462354260.81823301 Send coefs to domains (29.24031s) started
T01 << 1462354260.86825490 Send coefs to domains (29.29033s) stopped
T01 << 1462354260.86869192 Blacs Orbital Layouts (1600.06943s) stopped
T01 >> 1462354260.86874604 Calculate projections (1458.01574s) started
T01 << 1462354263.31131411 Calculate projections (1460.45831s) stopped
T01 << 1462354263.31139493 LCAO eigensolver (4660.97702s) stopped
T01 >> 1462354263.31206489 Density (1142.35686s) started
T01 >> 1462354263.31207800 Pseudo density (945.24550s) started
T01 >> 1462354263.31247902 Calculate density matrix (849.69269s) started
T01 << 1462354264.95849109 Calculate density matrix (851.33870s) stopped
T01 >> 1462354264.95855689 Construct density (94.20882s) started
T01 << 1462354265.14088988 Construct density (94.39115s) stopped
T01 >> 1462354265.14232111 Symmetrize density (0.02393s) started
T01 << 1462354265.14235497 Symmetrize density (0.02396s) stopped
T01 << 1462354265.14281702 Pseudo density (947.07624s) stopped
T01 >> 1462354265.14283705 Atomic density matrices (130.77395s) started
T01 << 1462354265.38620496 Atomic density matrices (131.01731s) stopped
T01 >> 1462354265.38624597 Multipole moments (2.12404s) started
T01 << 1462354265.39028597 Multipole moments (2.12808s) stopped
T01 >> 1462354265.39030910 Normalize (0.58671s) started
T01 << 1462354265.39138389 Normalize (0.58778s) stopped
T01 >> 1462354265.39141989 Mix (63.59027s) started
T01 << 1462354265.50078106 Mix (63.69964s) stopped
T01 << 1462354265.50082707 Density (1144.54562s) stopped
T01 >> 1462354265.50090504 Hamiltonian (12919.51110s) started
T01 >> 1462354265.50092196 vbar (7.79824s) started
T01 << 1462354265.51717591 vbar (7.81450s) stopped
T01 >> 1462354265.51724100 XC 3D grid (5598.49650s) started
T01 >> 1462354265.69680905 van der Waals (5404.00024s) started
T01 >> 1462354265.73980594 semilocal (1215.83681s) started
T01 << 1462354267.95970297 semilocal (1218.05670s) stopped
T01 >> 1462354267.99117398 redistribute (588.40670s) started
T01 << 1462354268.37200689 redistribute (588.78754s) stopped
T01 >> 1462354268.37207794 libvdwxc nonlocal (3558.41044s) started
T01 << 1462354275.08411908 libvdwxc nonlocal (3565.12248s) stopped
T01 >> 1462354275.08420801 redistribute (588.78758s) started
T01 << 1462354275.73330498 redistribute (589.43667s) stopped
T01 << 1462354275.73433208 van der Waals (5414.03776s) stopped
T01 << 1462354275.91463494 XC 3D grid (5608.89390s) stopped
T01 >> 1462354275.91469908 Poisson (1142.75539s) started
T01 << 1462354277.70382905 Poisson (1144.54452s) stopped
T01 >> 1462354277.70392108 Hartree integrate/restrict (44.33964s) started
T01 << 1462354277.72296691 Hartree integrate/restrict (44.35869s) stopped
T01 >> 1462354277.72305393 Hartree integrate/restrict (44.35875s) started
T01 << 1462354277.78552794 Hartree integrate/restrict (44.42122s) stopped
T01 >> 1462354277.80788803 Atomic (3445.99169s) started
T01 >> 1462354277.81771207 XC Correction (3438.89661s) started
T01 << 1462354283.80501008 XC Correction (3444.88391s) stopped
T01 << 1462354283.80798793 Atomic (3451.99179s) stopped
T01 >> 1462354283.80808902 Communicate (2668.49081s) started
T01 << 1462354289.99175191 Communicate (2674.67448s) stopped
T01 << 1462354289.99178195 Hamiltonian (12944.00197s) stopped
T01 >> 1462354289.99185300 LCAO eigensolver (4660.97703s) started
T01 >> 1462354289.99186611 Potential matrix (149.99467s) started
T01 << 1462354290.25633788 Potential matrix (150.25915s) stopped
T01 >> 1462354290.25640988 DistributedAtomicCorrection (774.40009s) started
T01 << 1462354291.59004903 DistributedAtomicCorrection (775.73372s) stopped
T01 >> 1462354291.59010601 Distribute overlap matrix (675.55980s) started
T01 >> 1462354291.59012890 blocked summation (640.62285s) started
T01 << 1462354292.74274492 blocked summation (641.77547s) stopped
T01 >> 1462354292.74422097 Scalapack redistribute (34.01490s) started
T01 << 1462354292.80281401 Scalapack redistribute (34.07349s) stopped
T01 << 1462354292.80289602 Distribute overlap matrix (676.77259s) stopped
T01 >> 1462354292.80347395 Blacs Orbital Layouts (1600.06945s) started
T01 >> 1462354292.80481291 General diagonalize (1568.14816s) started
T01 << 1462354295.55894995 General diagonalize (1570.90230s) stopped
T01 >> 1462354295.55901790 Redistribute coefs (1.74132s) started
T01 << 1462354295.56180310 Redistribute coefs (1.74410s) stopped
T01 >> 1462354295.56185102 Send coefs to domains (29.29037s) started
T01 << 1462354295.61178303 Send coefs to domains (29.34031s) stopped
T01 << 1462354295.61217690 Blacs Orbital Layouts (1602.87815s) stopped
T01 >> 1462354295.61223507 Calculate projections (1460.45836s) started
T01 << 1462354298.05486393 Calculate projections (1462.90099s) stopped
T01 << 1462354298.05494499 LCAO eigensolver (4669.04012s) stopped
T01 >> 1462354298.05567408 Density (1144.54564s) started
T01 >> 1462354298.05568695 Pseudo density (947.07625s) started
T01 >> 1462354298.05608797 Calculate density matrix (851.33874s) started
T01 << 1462354299.69384408 Calculate density matrix (852.97649s) stopped
T01 >> 1462354299.69393301 Construct density (94.39119s) started
T01 << 1462354299.87617302 Construct density (94.57343s) stopped
T01 >> 1462354299.87761903 Symmetrize density (0.02397s) started
T01 << 1462354299.87765408 Symmetrize density (0.02401s) stopped
T01 << 1462354299.87810802 Pseudo density (948.89867s) stopped
T01 >> 1462354299.87812805 Atomic density matrices (131.01734s) started
T01 << 1462354300.12194610 Atomic density matrices (131.26116s) stopped
T01 >> 1462354300.12198710 Multipole moments (2.12809s) started
T01 << 1462354300.12602091 Multipole moments (2.13213s) stopped
T01 >> 1462354300.12604403 Normalize (0.58781s) started
T01 << 1462354300.12709188 Normalize (0.58886s) stopped
T01 >> 1462354300.12712693 Mix (63.69968s) started
T01 << 1462354300.24048400 Mix (63.81304s) stopped
T01 << 1462354300.24059105 Density (1146.73056s) stopped
T01 >> 1462354300.24068189 Hamiltonian (12944.00199s) started
T01 >> 1462354300.24070311 vbar (7.81454s) started
T01 << 1462354300.25670600 vbar (7.83054s) stopped
T01 >> 1462354300.25681400 XC 3D grid (5608.89395s) started
T01 >> 1462354300.42678189 van der Waals (5414.03780s) started
T01 >> 1462354300.46988606 semilocal (1218.05679s) started
T01 << 1462354302.67632008 semilocal (1220.26323s) stopped
T01 >> 1462354302.71120906 redistribute (589.43672s) started
T01 << 1462354303.12294602 redistribute (589.84845s) stopped
T01 >> 1462354303.12301612 libvdwxc nonlocal (3565.12254s) started
T01 << 1462354309.81585002 libvdwxc nonlocal (3571.81538s) stopped
T01 >> 1462354309.81593800 redistribute (589.84849s) started
T01 << 1462354310.46372795 redistribute (590.49628s) stopped
T01 << 1462354310.46492290 van der Waals (5424.07594s) stopped
T01 << 1462354310.64854908 XC 3D grid (5619.28568s) stopped
T01 >> 1462354310.64859796 Poisson (1144.54459s) started
T01 << 1462354313.02270508 Poisson (1146.91870s) stopped
T01 >> 1462354313.02278900 Hartree integrate/restrict (44.42126s) started
T01 << 1462354313.04180503 Hartree integrate/restrict (44.44028s) stopped
T01 >> 1462354313.04188108 Hartree integrate/restrict (44.44033s) started
T01 << 1462354313.10245490 Hartree integrate/restrict (44.50090s) stopped
T01 >> 1462354313.12575889 Atomic (3451.99181s) started
T01 >> 1462354313.13556290 XC Correction (3444.88393s) started
T01 << 1462354319.10975289 XC Correction (3450.85812s) stopped
T01 << 1462354319.11273599 Atomic (3457.97879s) stopped
T01 >> 1462354319.11283588 Communicate (2674.67450s) started
T01 << 1462354324.72535610 Communicate (2680.28702s) stopped
T01 << 1462354324.72538495 Hamiltonian (12968.48669s) stopped
T01 >> 1462354324.72545910 LCAO eigensolver (4669.04013s) started
T01 >> 1462354324.72547293 Potential matrix (150.25919s) started
T01 << 1462354324.99083400 Potential matrix (150.52455s) stopped
T01 >> 1462354324.99090791 DistributedAtomicCorrection (775.73376s) started
T01 << 1462354326.31685901 DistributedAtomicCorrection (777.05971s) stopped
T01 >> 1462354326.31691694 Distribute overlap matrix (676.77260s) started
T01 >> 1462354326.31694007 blocked summation (641.77551s) started
T01 << 1462354327.48932409 blocked summation (642.94790s) stopped
T01 >> 1462354327.49082804 Scalapack redistribute (34.07353s) started
T01 << 1462354327.55038500 Scalapack redistribute (34.13309s) stopped
T01 << 1462354327.55046511 Distribute overlap matrix (678.00615s) stopped
T01 >> 1462354327.55104709 Blacs Orbital Layouts (1602.87817s) started
T01 >> 1462354327.55295897 General diagonalize (1570.90234s) started
T01 << 1462354330.28325009 General diagonalize (1573.63263s) stopped
T01 >> 1462354330.28331804 Redistribute coefs (1.74414s) started
T01 << 1462354330.28599691 Redistribute coefs (1.74682s) stopped
T01 >> 1462354330.28604507 Send coefs to domains (29.34035s) started
T01 << 1462354330.33508897 Send coefs to domains (29.38939s) stopped
T01 << 1462354330.33566189 Blacs Orbital Layouts (1605.66278s) stopped
T01 >> 1462354330.33572006 Calculate projections (1462.90105s) started
T01 << 1462354332.77829695 Calculate projections (1465.34363s) stopped
T01 << 1462354332.77837896 LCAO eigensolver (4677.09305s) stopped
T01 >> 1462354332.77912688 Density (1146.73057s) started
T01 >> 1462354332.77914000 Pseudo density (948.89869s) started
T01 >> 1462354332.77953792 Calculate density matrix (852.97654s) started
T01 << 1462354334.42761803 Calculate density matrix (854.62462s) stopped
T01 >> 1462354334.42771292 Construct density (94.57346s) started
T01 << 1462354334.60953403 Construct density (94.75528s) stopped
T01 >> 1462354334.61100292 Symmetrize density (0.02402s) started
T01 << 1462354334.61103511 Symmetrize density (0.02405s) stopped
T01 << 1462354334.61148596 Pseudo density (950.73103s) stopped
T01 >> 1462354334.61150503 Atomic density matrices (131.26119s) started
T01 << 1462354334.85603404 Atomic density matrices (131.50572s) stopped
T01 >> 1462354334.85607696 Multipole moments (2.13214s) started
T01 << 1462354334.86013103 Multipole moments (2.13620s) stopped
T01 >> 1462354334.86015391 Normalize (0.58888s) started
T01 << 1462354334.86119699 Normalize (0.58993s) stopped
T01 >> 1462354334.86123204 Mix (63.81314s) started
T01 << 1462354334.97718000 Mix (63.92909s) stopped
T01 << 1462354334.97723103 Density (1148.92868s) stopped
T01 >> 1462354334.97731304 Hamiltonian (12968.48670s) started
T01 >> 1462354334.97733212 vbar (7.83060s) started
T01 << 1462354334.99380398 vbar (7.84707s) stopped
T01 >> 1462354334.99386811 XC 3D grid (5619.28572s) started
T01 >> 1462354335.17280507 van der Waals (5424.07598s) started
T01 >> 1462354335.21544099 semilocal (1220.26335s) started
T01 << 1462354337.43947196 semilocal (1222.48738s) stopped
T01 >> 1462354337.46892309 redistribute (590.49632s) started
T01 << 1462354337.83773088 redistribute (590.86513s) stopped
T01 >> 1462354337.83780193 libvdwxc nonlocal (3571.81544s) started
T01 << 1462354344.56174493 libvdwxc nonlocal (3578.53938s) stopped
T01 >> 1462354344.56181598 redistribute (590.86517s) started
T01 << 1462354345.20603299 redistribute (591.50939s) stopped
T01 << 1462354345.20706511 van der Waals (5434.11024s) stopped
T01 << 1462354345.38824511 XC 3D grid (5629.68010s) stopped
T01 >> 1462354345.38830709 Poisson (1146.91877s) started
T01 << 1462354347.78105307 Poisson (1149.31151s) stopped
T01 >> 1462354347.78118896 Hartree integrate/restrict (44.50095s) started
T01 << 1462354347.80004001 Hartree integrate/restrict (44.51980s) stopped
T01 >> 1462354347.80020690 Hartree integrate/restrict (44.51992s) started
T01 << 1462354347.86225390 Hartree integrate/restrict (44.58196s) stopped
T01 >> 1462354347.88544989 Atomic (3457.97880s) started
T01 >> 1462354347.89530706 XC Correction (3450.85815s) started
T01 << 1462354353.86525798 XC Correction (3456.82810s) stopped
T01 << 1462354353.86825490 Atomic (3463.96161s) stopped
T01 >> 1462354353.86835599 Communicate (2680.28704s) started
T01 << 1462354359.31187391 Communicate (2685.73056s) stopped
T01 << 1462354359.31190300 Hamiltonian (12992.82129s) stopped
T01 >> 1462354359.31197596 LCAO eigensolver (4677.09307s) started
T01 >> 1462354359.31199002 Potential matrix (150.52459s) started
T01 << 1462354359.57717109 Potential matrix (150.78977s) stopped
T01 >> 1462354359.57724500 DistributedAtomicCorrection (777.05975s) started
T01 << 1462354360.91039491 DistributedAtomicCorrection (778.39290s) stopped
T01 >> 1462354360.91045094 Distribute overlap matrix (678.00616s) started
T01 >> 1462354360.91047311 blocked summation (642.94794s) started
T01 << 1462354362.03728795 blocked summation (644.07475s) stopped
T01 >> 1462354362.03868699 Scalapack redistribute (34.13312s) started
T01 << 1462354362.09763598 Scalapack redistribute (34.19207s) stopped
T01 << 1462354362.09771895 Distribute overlap matrix (679.19343s) stopped
T01 >> 1462354362.09827495 Blacs Orbital Layouts (1605.66280s) started
T01 >> 1462354362.09957099 General diagonalize (1573.63267s) started
T01 << 1462354364.82793093 General diagonalize (1576.36103s) stopped
T01 >> 1462354364.82799602 Redistribute coefs (1.74685s) started
T01 << 1462354364.83141708 Redistribute coefs (1.75028s) stopped
T01 >> 1462354364.83149004 Send coefs to domains (29.38944s) started
T01 << 1462354364.87978411 Send coefs to domains (29.43773s) stopped
T01 << 1462354364.88013411 Blacs Orbital Layouts (1608.44466s) stopped
T01 >> 1462354364.88018799 Calculate projections (1465.34368s) started
T01 << 1462354367.32280898 Calculate projections (1467.78630s) stopped
T01 << 1462354367.32289004 LCAO eigensolver (4685.10398s) stopped
T01 >> 1462354367.32362890 Density (1148.92869s) started
T01 >> 1462354367.32364607 Pseudo density (950.73105s) started
T01 >> 1462354367.32404995 Calculate density matrix (854.62467s) started
T01 << 1462354368.97930503 Calculate density matrix (856.27992s) stopped
T01 >> 1462354368.97940993 Construct density (94.75531s) started
T01 << 1462354369.16171789 Construct density (94.93762s) stopped
T01 >> 1462354369.16318703 Symmetrize density (0.02406s) started
T01 << 1462354369.16321993 Symmetrize density (0.02410s) stopped
T01 << 1462354369.16368890 Pseudo density (952.57109s) stopped
T01 >> 1462354369.16370893 Atomic density matrices (131.50575s) started
T01 << 1462354369.40751410 Atomic density matrices (131.74955s) stopped
T01 >> 1462354369.40755391 Multipole moments (2.13621s) started
T01 << 1462354369.41159797 Multipole moments (2.14025s) stopped
T01 >> 1462354369.41162109 Normalize (0.58995s) started
T01 << 1462354369.41267800 Normalize (0.59101s) stopped
T01 >> 1462354369.41271210 Mix (63.92914s) started
T01 << 1462354369.53413892 Mix (64.05056s) stopped
T01 << 1462354369.53424096 Density (1151.13930s) stopped
T01 >> 1462354369.53434992 Hamiltonian (12992.82131s) started
T01 >> 1462354369.53436995 vbar (7.84711s) started
T01 << 1462354369.55001307 vbar (7.86275s) stopped
T01 >> 1462354369.55011201 XC 3D grid (5629.68015s) started
T01 >> 1462354369.71940398 van der Waals (5434.11027s) started
T01 >> 1462354369.76269197 semilocal (1222.48748s) started
T01 << 1462354371.98788905 semilocal (1224.71267s) stopped
T01 >> 1462354372.01935101 redistribute (591.50944s) started
T01 << 1462354372.41247296 redistribute (591.90256s) stopped
T01 >> 1462354372.41254306 libvdwxc nonlocal (3578.53942s) started
T01 << 1462354379.12072897 libvdwxc nonlocal (3585.24761s) stopped
T01 >> 1462354379.12081194 redistribute (591.90260s) started
T01 << 1462354379.78304696 redistribute (592.56483s) stopped
T01 << 1462354379.78448701 van der Waals (5444.17536s) stopped
T01 << 1462354379.95785189 XC 3D grid (5640.08789s) stopped
T01 >> 1462354379.95789695 Poisson (1149.31162s) started
T01 << 1462354382.33546209 Poisson (1151.68918s) stopped
T01 >> 1462354382.33552289 Hartree integrate/restrict (44.58200s) started
T01 << 1462354382.35449910 Hartree integrate/restrict (44.60097s) stopped
T01 >> 1462354382.35456610 Hartree integrate/restrict (44.60102s) started
T01 << 1462354382.41760492 Hartree integrate/restrict (44.66406s) stopped
T01 >> 1462354382.43544793 Atomic (3463.96162s) started
T01 >> 1462354382.44536901 XC Correction (3456.82812s) started
T01 << 1462354388.51566792 XC Correction (3462.89842s) stopped
T01 << 1462354388.51866388 Atomic (3470.04484s) stopped
T01 >> 1462354388.51876307 Communicate (2685.73057s) started
T01 << 1462354393.74445701 Communicate (2690.95627s) stopped
T01 << 1462354393.74448609 Hamiltonian (13017.03144s) stopped
T01 >> 1462354393.74455810 LCAO eigensolver (4685.10399s) started
T01 >> 1462354393.74457097 Potential matrix (150.78980s) started
T01 << 1462354394.00916195 Potential matrix (151.05440s) stopped
T01 >> 1462354394.00923395 DistributedAtomicCorrection (778.39293s) started
T01 << 1462354395.32397604 DistributedAtomicCorrection (779.70768s) stopped
T01 >> 1462354395.32403493 Distribute overlap matrix (679.19344s) started
T01 >> 1462354395.32405591 blocked summation (644.07479s) started
T01 << 1462354396.47725010 blocked summation (645.22799s) stopped
T01 >> 1462354396.47899199 Scalapack redistribute (34.19211s) started
T01 << 1462354396.53802705 Scalapack redistribute (34.25115s) stopped
T01 << 1462354396.53811407 Distribute overlap matrix (680.40752s) stopped
T01 >> 1462354396.53871012 Blacs Orbital Layouts (1608.44468s) started
T01 >> 1462354396.53986001 General diagonalize (1576.36106s) started
T01 << 1462354399.27777410 General diagonalize (1579.09898s) stopped
T01 >> 1462354399.27784109 Redistribute coefs (1.75034s) started
T01 << 1462354399.28155994 Redistribute coefs (1.75406s) stopped
T01 >> 1462354399.28160810 Send coefs to domains (29.43777s) started
T01 << 1462354399.33074093 Send coefs to domains (29.48691s) stopped
T01 << 1462354399.33106089 Blacs Orbital Layouts (1611.23703s) stopped
T01 >> 1462354399.33112001 Calculate projections (1467.78636s) started
T01 << 1462354401.77377105 Calculate projections (1470.22901s) stopped
T01 << 1462354401.77405000 LCAO eigensolver (4693.13349s) stopped
T01 >> 1462354401.77476692 Density (1151.13932s) started
T01 >> 1462354401.77478004 Pseudo density (952.57111s) started
T01 >> 1462354401.77518010 Calculate density matrix (856.27997s) started
T01 << 1462354403.42429900 Calculate density matrix (857.92909s) stopped
T01 >> 1462354403.42438507 Construct density (94.93765s) started
T01 << 1462354403.60666704 Construct density (95.11994s) stopped
T01 >> 1462354403.60898900 Symmetrize density (0.02411s) started
T01 << 1462354403.60902095 Symmetrize density (0.02414s) stopped
T01 << 1462354403.60947394 Pseudo density (954.40580s) stopped
T01 >> 1462354403.60949302 Atomic density matrices (131.74958s) started
T01 << 1462354403.85142303 Atomic density matrices (131.99151s) stopped
T01 >> 1462354403.85146308 Multipole moments (2.14027s) started
T01 << 1462354403.85548306 Multipole moments (2.14429s) stopped
T01 >> 1462354403.85550499 Normalize (0.59103s) started
T01 << 1462354403.85654712 Normalize (0.59207s) stopped
T01 >> 1462354403.85658097 Mix (64.05066s) started
T01 << 1462354403.97741199 Mix (64.17149s) stopped
T01 << 1462354403.97749591 Density (1153.34205s) stopped
T01 >> 1462354403.97760391 Hamiltonian (13017.03146s) started
T01 >> 1462354403.97762299 vbar (7.86281s) started
T01 << 1462354403.99385095 vbar (7.87904s) stopped
T01 >> 1462354403.99391699 XC 3D grid (5640.08792s) started
T01 >> 1462354404.16297698 van der Waals (5444.17548s) started
T01 >> 1462354404.20643401 semilocal (1224.71275s) started
T01 << 1462354406.41052699 semilocal (1226.91685s) stopped
T01 >> 1462354406.44344211 redistribute (592.56495s) started
T01 << 1462354406.83858490 redistribute (592.96009s) stopped
T01 >> 1462354406.83866000 libvdwxc nonlocal (3585.24767s) started
T01 << 1462354413.53714609 libvdwxc nonlocal (3591.94615s) stopped
T01 >> 1462354413.53720689 redistribute (592.96013s) started
T01 << 1462354414.19777989 redistribute (593.62070s) stopped
T01 << 1462354414.19919109 van der Waals (5454.21169s) stopped
T01 << 1462354414.37390995 XC 3D grid (5650.46791s) stopped
T01 >> 1462354414.37395406 Poisson (1151.68923s) started
T01 << 1462354416.76011491 Poisson (1154.07539s) stopped
T01 >> 1462354416.76018405 Hartree integrate/restrict (44.66409s) started
T01 << 1462354416.77897000 Hartree integrate/restrict (44.68288s) stopped
T01 >> 1462354416.77905798 Hartree integrate/restrict (44.68294s) started
T01 << 1462354416.84074497 Hartree integrate/restrict (44.74462s) stopped
T01 >> 1462354416.86306190 Atomic (3470.04486s) started
T01 >> 1462354416.87315011 XC Correction (3462.89845s) started
T01 << 1462354422.99732995 XC Correction (3469.02263s) stopped
T01 << 1462354423.00031304 Atomic (3476.18211s) stopped
T01 >> 1462354423.00041294 Communicate (2690.95629s) started
T01 << 1462354428.25916004 Communicate (2696.21503s) stopped
T01 << 1462354428.25918794 Hamiltonian (13041.31304s) stopped
T01 >> 1462354428.25926399 LCAO eigensolver (4693.13350s) started
T01 >> 1462354428.25927806 Potential matrix (151.05444s) started
T01 << 1462354428.52420592 Potential matrix (151.31936s) stopped
T01 >> 1462354428.52427912 DistributedAtomicCorrection (779.70771s) started
T01 << 1462354429.87098908 DistributedAtomicCorrection (781.05442s) stopped
T01 >> 1462354429.87104893 Distribute overlap matrix (680.40753s) started
T01 >> 1462354429.87107205 blocked summation (645.22803s) started
T01 << 1462354431.00341392 blocked summation (646.36037s) stopped
T01 >> 1462354431.00553608 Scalapack redistribute (34.25119s) started
T01 << 1462354431.06224203 Scalapack redistribute (34.30789s) stopped
T01 << 1462354431.06233692 Distribute overlap matrix (681.59882s) stopped
T01 >> 1462354431.06295609 Blacs Orbital Layouts (1611.23705s) started
T01 >> 1462354431.06441998 General diagonalize (1579.09902s) started
T01 << 1462354433.80488491 General diagonalize (1581.83948s) stopped
T01 >> 1462354433.80495191 Redistribute coefs (1.75410s) started
T01 << 1462354433.80810690 Redistribute coefs (1.75725s) stopped
T01 >> 1462354433.80815506 Send coefs to domains (29.48695s) started
T01 << 1462354433.85736990 Send coefs to domains (29.53617s) stopped
T01 << 1462354433.85768890 Blacs Orbital Layouts (1614.03178s) stopped
T01 >> 1462354433.85774302 Calculate projections (1470.22906s) started
T01 << 1462354436.30045700 Calculate projections (1472.67178s) stopped
T01 << 1462354436.30089998 LCAO eigensolver (4701.17514s) stopped
T01 >> 1462354436.30161691 Density (1153.34207s) started
T01 >> 1462354436.30163097 Pseudo density (954.40582s) started
T01 >> 1462354436.30203295 Calculate density matrix (857.92913s) started
T01 << 1462354437.94826388 Calculate density matrix (859.57536s) stopped
T01 >> 1462354437.94835591 Construct density (95.11997s) started
T01 << 1462354438.13017201 Construct density (95.30178s) stopped
T01 >> 1462354438.13249803 Symmetrize density (0.02415s) started
T01 << 1462354438.13253093 Symmetrize density (0.02419s) stopped
T01 << 1462354438.13299203 Pseudo density (956.23718s) stopped
T01 >> 1462354438.13301706 Atomic density matrices (131.99154s) started
T01 << 1462354438.37639594 Atomic density matrices (132.23492s) stopped
T01 >> 1462354438.37643600 Multipole moments (2.14430s) started
T01 << 1462354438.38045192 Multipole moments (2.14832s) stopped
T01 >> 1462354438.38047409 Normalize (0.59210s) started
T01 << 1462354438.38153410 Normalize (0.59316s) stopped
T01 >> 1462354438.38156796 Mix (64.17157s) started
T01 << 1462354438.50277495 Mix (64.29278s) stopped
T01 << 1462354438.50288105 Density (1155.54333s) stopped
T01 >> 1462354438.50299907 Hamiltonian (13041.31305s) started
T01 >> 1462354438.50301790 vbar (7.87908s) started
T01 << 1462354438.51917791 vbar (7.89524s) stopped
T01 >> 1462354438.51927090 XC 3D grid (5650.46795s) started
T01 >> 1462354438.69754410 van der Waals (5454.21175s) started
T01 >> 1462354438.74112105 semilocal (1226.91695s) started
T01 << 1462354440.96872711 semilocal (1229.14455s) stopped
T01 >> 1462354440.99837995 redistribute (593.62083s) started
T01 << 1462354441.37076902 redistribute (593.99322s) stopped
T01 >> 1462354441.37083912 libvdwxc nonlocal (3591.94619s) started
T01 << 1462354448.05545402 libvdwxc nonlocal (3598.63080s) stopped
T01 >> 1462354448.05553007 redistribute (593.99326s) started
T01 << 1462354448.71792412 redistribute (594.65565s) stopped
T01 << 1462354448.71900010 van der Waals (5464.23321s) stopped
T01 << 1462354448.89242697 XC 3D grid (5660.84110s) stopped
T01 >> 1462354448.89248896 Poisson (1154.07544s) started
T01 << 1462354451.28241897 Poisson (1156.46537s) stopped
T01 >> 1462354451.28255796 Hartree integrate/restrict (44.74467s) started
T01 << 1462354451.30147696 Hartree integrate/restrict (44.76359s) stopped
T01 >> 1462354451.30161095 Hartree integrate/restrict (44.76368s) started
T01 << 1462354451.36379194 Hartree integrate/restrict (44.82586s) stopped
T01 >> 1462354451.38682389 Atomic (3476.18213s) started
T01 >> 1462354451.39699602 XC Correction (3469.02265s) started
T01 << 1462354457.60661793 XC Correction (3475.23227s) stopped
T01 << 1462354457.60963893 Atomic (3482.40494s) stopped
T01 >> 1462354457.60974598 Communicate (2696.21505s) started
T01 << 1462354462.80838203 Communicate (2701.41369s) stopped
T01 << 1462354462.80841208 Hamiltonian (13065.61847s) stopped
T01 >> 1462354462.80848598 LCAO eigensolver (4701.17516s) started
T01 >> 1462354462.80849791 Potential matrix (151.31940s) started
T01 << 1462354463.07483602 Potential matrix (151.58574s) stopped
T01 >> 1462354463.07490993 DistributedAtomicCorrection (781.05446s) started
T01 << 1462354464.39670491 DistributedAtomicCorrection (782.37626s) stopped
T01 >> 1462354464.39676309 Distribute overlap matrix (681.59883s) started
T01 >> 1462354464.39678502 blocked summation (646.36041s) started
T01 << 1462354465.57332110 blocked summation (647.53695s) stopped
T01 >> 1462354465.57487392 Scalapack redistribute (34.30793s) started
T01 << 1462354465.63567901 Scalapack redistribute (34.36873s) stopped
T01 << 1462354465.63576889 Distribute overlap matrix (682.83784s) stopped
T01 >> 1462354465.63634396 Blacs Orbital Layouts (1614.03180s) started
T01 >> 1462354465.63830400 General diagonalize (1581.83952s) started
T01 << 1462354468.35857296 General diagonalize (1584.55979s) stopped
T01 >> 1462354468.35863996 Redistribute coefs (1.75729s) started
T01 << 1462354468.36177111 Redistribute coefs (1.76042s) stopped
T01 >> 1462354468.36181808 Send coefs to domains (29.53621s) started
T01 << 1462354468.41138506 Send coefs to domains (29.58578s) stopped
T01 << 1462354468.41190100 Blacs Orbital Layouts (1616.80736s) stopped
T01 >> 1462354468.41196299 Calculate projections (1472.67183s) started
T01 << 1462354470.85456491 Calculate projections (1475.11443s) stopped
T01 << 1462354470.85484505 LCAO eigensolver (4709.22152s) stopped
T01 >> 1462354470.85556602 Density (1155.54335s) started
T01 >> 1462354470.85557890 Pseudo density (956.23719s) started
T01 >> 1462354470.85598397 Calculate density matrix (859.57540s) started
T01 << 1462354472.50354290 Calculate density matrix (861.22296s) stopped
T01 >> 1462354472.50363207 Construct density (95.30182s) started
T01 << 1462354472.68592310 Construct density (95.48411s) stopped
T01 >> 1462354472.68824196 Symmetrize density (0.02420s) started
T01 << 1462354472.68827605 Symmetrize density (0.02423s) stopped
T01 << 1462354472.68873811 Pseudo density (958.07035s) stopped
T01 >> 1462354472.68875790 Atomic density matrices (132.23494s) started
T01 << 1462354472.93316197 Atomic density matrices (132.47935s) stopped
T01 >> 1462354472.93320298 Multipole moments (2.14833s) started
T01 << 1462354472.93726301 Multipole moments (2.15239s) stopped
T01 >> 1462354472.93728495 Normalize (0.59318s) started
T01 << 1462354472.93833399 Normalize (0.59423s) stopped
T01 >> 1462354472.93836904 Mix (64.29288s) started
T01 << 1462354473.05891490 Mix (64.41343s) stopped
T01 << 1462354473.05901289 Density (1157.74680s) stopped
T01 >> 1462354473.05912304 Hamiltonian (13065.61848s) started
T01 >> 1462354473.05914211 vbar (7.89529s) started
T01 << 1462354473.07577300 vbar (7.91192s) stopped
T01 >> 1462354473.07588696 XC 3D grid (5660.84115s) started
T01 >> 1462354473.25513196 van der Waals (5464.23326s) started
T01 >> 1462354473.29818201 semilocal (1229.14460s) started
T01 << 1462354475.51150203 semilocal (1231.35792s) stopped
T01 >> 1462354475.54206991 redistribute (594.65571s) started
T01 << 1462354475.91566801 redistribute (595.02931s) stopped
T01 >> 1462354475.91573811 libvdwxc nonlocal (3598.63085s) started
T01 << 1462354482.62036800 libvdwxc nonlocal (3605.33548s) stopped
T01 >> 1462354482.62043405 redistribute (595.02935s) started
T01 << 1462354483.28301311 redistribute (595.69193s) stopped
T01 << 1462354483.28417397 van der Waals (5474.26230s) stopped
T01 << 1462354483.45831108 XC 3D grid (5671.22358s) stopped
T01 >> 1462354483.45837212 Poisson (1156.46548s) started
T01 << 1462354485.25871897 Poisson (1158.26582s) stopped
T01 >> 1462354485.25879908 Hartree integrate/restrict (44.82590s) started
T01 << 1462354485.27794003 Hartree integrate/restrict (44.84504s) stopped
T01 >> 1462354485.27800989 Hartree integrate/restrict (44.84509s) started
T01 << 1462354485.34102392 Hartree integrate/restrict (44.90811s) stopped
T01 >> 1462354485.35916400 Atomic (3482.40496s) started
T01 >> 1462354485.36936212 XC Correction (3475.23229s) started
T01 << 1462354491.69179702 XC Correction (3481.55473s) stopped
T01 << 1462354491.69480991 Atomic (3488.74061s) stopped
T01 >> 1462354491.69491100 Communicate (2701.41371s) started
T01 << 1462354496.76488900 Communicate (2706.48369s) stopped
T01 << 1462354496.76491690 Hamiltonian (13089.32427s) stopped
T01 >> 1462354496.76498890 LCAO eigensolver (4709.22154s) started
T01 >> 1462354496.76500297 Potential matrix (151.58578s) started
T01 << 1462354497.03088593 Potential matrix (151.85166s) stopped
T01 >> 1462354497.03095889 DistributedAtomicCorrection (782.37629s) started
T01 << 1462354498.35160398 DistributedAtomicCorrection (783.69694s) stopped
T01 >> 1462354498.35166597 Distribute overlap matrix (682.83785s) started
T01 >> 1462354498.35168910 blocked summation (647.53698s) started
T01 << 1462354499.52733588 blocked summation (648.71263s) stopped
T01 >> 1462354499.52911305 Scalapack redistribute (34.36877s) started
T01 << 1462354499.58801603 Scalapack redistribute (34.42767s) stopped
T01 << 1462354499.58810806 Distribute overlap matrix (684.07429s) stopped
T01 >> 1462354499.58874106 Blacs Orbital Layouts (1616.80738s) started
T01 >> 1462354499.59019899 General diagonalize (1584.55983s) started
T01 << 1462354502.33020210 General diagonalize (1587.29983s) stopped
T01 >> 1462354502.33026910 Redistribute coefs (1.76045s) started
T01 << 1462354502.33405805 Redistribute coefs (1.76424s) stopped
T01 >> 1462354502.33410406 Send coefs to domains (29.58582s) started
T01 << 1462354502.38318706 Send coefs to domains (29.63490s) stopped
T01 << 1462354502.38352990 Blacs Orbital Layouts (1619.60216s) stopped
T01 >> 1462354502.38358593 Calculate projections (1475.11449s) started
T01 << 1462354504.82730293 Calculate projections (1477.55820s) stopped
T01 << 1462354504.82758689 LCAO eigensolver (4717.28413s) stopped
T01 >> 1462354504.82831693 Density (1157.74682s) started
T01 >> 1462354504.82833004 Pseudo density (958.07037s) started
T01 >> 1462354504.82873297 Calculate density matrix (861.22300s) started
T01 << 1462354506.47406912 Calculate density matrix (862.86834s) stopped
T01 >> 1462354506.47415996 Construct density (95.48414s) started
T01 << 1462354506.65651011 Construct density (95.66649s) stopped
T01 >> 1462354506.65884304 Symmetrize density (0.02424s) started
T01 << 1462354506.65887594 Symmetrize density (0.02428s) stopped
T01 << 1462354506.65932894 Pseudo density (959.90137s) stopped
T01 >> 1462354506.65934801 Atomic density matrices (132.47938s) started
T01 << 1462354506.90200210 Atomic density matrices (132.72203s) stopped
T01 >> 1462354506.90204310 Multipole moments (2.15241s) started
T01 << 1462354506.90609694 Multipole moments (2.15646s) stopped
T01 >> 1462354506.90611911 Normalize (0.59426s) started
T01 << 1462354506.90716410 Normalize (0.59530s) stopped
T01 >> 1462354506.90719891 Mix (64.41352s) started
T01 << 1462354507.02744102 Mix (64.53376s) stopped
T01 << 1462354507.02748990 Density (1159.94599s) stopped
T01 >> 1462354507.02760410 Hamiltonian (13089.32429s) started
T01 >> 1462354507.02762389 vbar (7.91198s) started
T01 << 1462354507.04403090 vbar (7.92839s) stopped
T01 >> 1462354507.04409504 XC 3D grid (5671.22362s) started
T01 >> 1462354507.22060609 van der Waals (5474.26237s) started
T01 >> 1462354507.26359296 semilocal (1231.35804s) started
T01 << 1462354509.49889493 semilocal (1233.59334s) stopped
T01 >> 1462354509.53013897 redistribute (595.69199s) started
T01 << 1462354509.90796590 redistribute (596.06982s) stopped
T01 >> 1462354509.90803504 libvdwxc nonlocal (3605.33553s) started
T01 << 1462354516.61814690 libvdwxc nonlocal (3612.04564s) stopped
T01 >> 1462354516.61822391 redistribute (596.06986s) started
T01 << 1462354517.27892399 redistribute (596.73056s) stopped
T01 << 1462354517.28041291 van der Waals (5484.32217s) stopped
T01 << 1462354517.45348811 XC 3D grid (5681.63302s) stopped
T01 >> 1462354517.45353603 Poisson (1158.26588s) started
T01 << 1462354519.25277805 Poisson (1160.06513s) stopped
T01 >> 1462354519.25284791 Hartree integrate/restrict (44.90815s) started
T01 << 1462354519.27166796 Hartree integrate/restrict (44.92697s) stopped
T01 >> 1462354519.27174091 Hartree integrate/restrict (44.92702s) started
T01 << 1462354519.33408999 Hartree integrate/restrict (44.98937s) stopped
T01 >> 1462354519.35347199 Atomic (3488.74062s) started
T01 >> 1462354519.36381602 XC Correction (3481.55475s) started
T01 << 1462354525.47502804 XC Correction (3487.66597s) stopped
T01 << 1462354525.47805405 Atomic (3494.86521s) stopped
T01 >> 1462354525.47815490 Communicate (2706.48370s) started
T01 << 1462354530.81272101 Communicate (2711.81827s) stopped
T01 << 1462354530.81275010 Hamiltonian (13113.10943s) stopped
T01 >> 1462354530.81282401 LCAO eigensolver (4717.28415s) started
T01 >> 1462354530.81283689 Potential matrix (151.85170s) started
T01 << 1462354531.07776093 Potential matrix (152.11663s) stopped
T01 >> 1462354531.07783294 DistributedAtomicCorrection (783.69697s) started
T01 << 1462354532.40389895 DistributedAtomicCorrection (785.02304s) stopped
T01 >> 1462354532.40395689 Distribute overlap matrix (684.07430s) started
T01 >> 1462354532.40397906 blocked summation (648.71267s) started
T01 << 1462354533.58052301 blocked summation (649.88921s) stopped
T01 >> 1462354533.58264089 Scalapack redistribute (34.42771s) started
T01 << 1462354533.63972497 Scalapack redistribute (34.48479s) stopped
T01 << 1462354533.63982391 Distribute overlap matrix (685.31017s) stopped
T01 >> 1462354533.64043498 Blacs Orbital Layouts (1619.60218s) started
T01 >> 1462354533.64191008 General diagonalize (1587.29987s) started
T01 << 1462354536.39732003 General diagonalize (1590.05528s) stopped
T01 >> 1462354536.39738607 Redistribute coefs (1.76428s) started
T01 << 1462354536.40046310 Redistribute coefs (1.76736s) stopped
T01 >> 1462354536.40051007 Send coefs to domains (29.63494s) started
T01 << 1462354536.45080900 Send coefs to domains (29.68524s) stopped
T01 << 1462354536.45114589 Blacs Orbital Layouts (1622.41289s) stopped
T01 >> 1462354536.45120311 Calculate projections (1477.55826s) started
T01 << 1462354538.89387202 Calculate projections (1480.00093s) stopped
T01 << 1462354538.89430404 LCAO eigensolver (4725.36563s) stopped
T01 >> 1462354538.89502001 Density (1159.94600s) started
T01 >> 1462354538.89503288 Pseudo density (959.90138s) started
T01 >> 1462354538.89543605 Calculate density matrix (862.86838s) started
T01 << 1462354540.53905797 Calculate density matrix (864.51201s) stopped
T01 >> 1462354540.53914309 Construct density (95.66652s) started
T01 << 1462354540.72100806 Construct density (95.84839s) stopped
T01 >> 1462354540.72329998 Symmetrize density (0.02429s) started
T01 << 1462354540.72333288 Symmetrize density (0.02432s) stopped
T01 << 1462354540.72379899 Pseudo density (961.73015s) stopped
T01 >> 1462354540.72381806 Atomic density matrices (132.72206s) started
T01 << 1462354540.96674490 Atomic density matrices (132.96498s) stopped
T01 >> 1462354540.96678591 Multipole moments (2.15648s) started
T01 << 1462354540.97084093 Multipole moments (2.16053s) stopped
T01 >> 1462354540.97086310 Normalize (0.59533s) started
T01 << 1462354540.97191310 Normalize (0.59638s) stopped
T01 >> 1462354540.97194910 Mix (64.53381s) started
T01 << 1462354541.09279490 Mix (64.65466s) stopped
T01 << 1462354541.09289098 Density (1162.14388s) stopped
T01 >> 1462354541.09300494 Hamiltonian (13113.10945s) started
T01 >> 1462354541.09302497 vbar (7.92842s) started
T01 << 1462354541.10953593 vbar (7.94494s) stopped
T01 >> 1462354541.10961390 XC 3D grid (5681.63305s) started
T01 >> 1462354541.28764009 van der Waals (5484.32223s) started
T01 >> 1462354541.33090711 semilocal (1233.59339s) started
T01 << 1462354543.56041288 semilocal (1235.82289s) stopped
T01 >> 1462354543.59045601 redistribute (596.73068s) started
T01 << 1462354543.96888208 redistribute (597.10910s) stopped
T01 >> 1462354543.96895194 libvdwxc nonlocal (3612.04569s) started
T01 << 1462354550.65423608 libvdwxc nonlocal (3618.73097s) stopped
T01 >> 1462354550.65430903 redistribute (597.10914s) started
T01 << 1462354551.31945992 redistribute (597.77429s) stopped
T01 << 1462354551.32068992 van der Waals (5494.35528s) stopped
T01 << 1462354551.49210405 XC 3D grid (5692.01554s) stopped
T01 >> 1462354551.49216700 Poisson (1160.06518s) started
T01 << 1462354553.29135799 Poisson (1161.86437s) stopped
T01 >> 1462354553.29155207 Hartree integrate/restrict (44.98940s) started
T01 << 1462354553.31044698 Hartree integrate/restrict (45.00830s) stopped
T01 >> 1462354553.31060195 Hartree integrate/restrict (45.00842s) started
T01 << 1462354553.37257600 Hartree integrate/restrict (45.07039s) stopped
T01 >> 1462354553.39159799 Atomic (3494.86522s) started
T01 >> 1462354553.40199304 XC Correction (3487.66599s) started
T01 << 1462354559.55802393 XC Correction (3493.82202s) stopped
T01 << 1462354559.56105089 Atomic (3501.03468s) stopped
T01 >> 1462354559.56115794 Communicate (2711.81829s) started
T01 << 1462354564.84971189 Communicate (2717.10684s) stopped
T01 << 1462354564.84974289 Hamiltonian (13136.86618s) stopped
T01 >> 1462354564.84981608 LCAO eigensolver (4725.36565s) started
T01 >> 1462354564.84982991 Potential matrix (152.11667s) started
T01 << 1462354565.11707091 Potential matrix (152.38391s) stopped
T01 >> 1462354565.11714292 DistributedAtomicCorrection (785.02308s) started
T01 << 1462354566.44018507 DistributedAtomicCorrection (786.34612s) stopped
T01 >> 1462354566.44024301 Distribute overlap matrix (685.31018s) started
T01 >> 1462354566.44026494 blocked summation (649.88925s) started
T01 << 1462354567.59393692 blocked summation (651.04292s) stopped
T01 >> 1462354567.59582806 Scalapack redistribute (34.48483s) started
T01 << 1462354567.65376902 Scalapack redistribute (34.54277s) stopped
T01 << 1462354567.65386105 Distribute overlap matrix (686.52380s) stopped
T01 >> 1462354567.65445995 Blacs Orbital Layouts (1622.41291s) started
T01 >> 1462354567.65583396 General diagonalize (1590.05532s) started
T01 << 1462354570.38830495 General diagonalize (1592.78779s) stopped
T01 >> 1462354570.38837290 Redistribute coefs (1.76739s) started
T01 << 1462354570.39196205 Redistribute coefs (1.77098s) stopped
T01 >> 1462354570.39200711 Send coefs to domains (29.68529s) started
T01 << 1462354570.44063902 Send coefs to domains (29.73392s) stopped
T01 << 1462354570.44093490 Blacs Orbital Layouts (1625.19939s) stopped
T01 >> 1462354570.44098997 Calculate projections (1480.00098s) started
T01 << 1462354572.88348508 Calculate projections (1482.44348s) stopped
T01 << 1462354572.88376594 LCAO eigensolver (4733.39960s) stopped
T01 >> 1462354572.88448095 Density (1162.14389s) started
T01 >> 1462354572.88449407 Pseudo density (961.73016s) started
T01 >> 1462354572.88490009 Calculate density matrix (864.51205s) started
T01 << 1462354574.52810097 Calculate density matrix (866.15525s) stopped
T01 >> 1462354574.52818990 Construct density (95.84842s) started
T01 << 1462354574.71026897 Construct density (96.03050s) stopped
T01 >> 1462354574.71257806 Symmetrize density (0.02434s) started
T01 << 1462354574.71261191 Symmetrize density (0.02437s) stopped
T01 << 1462354574.71306992 Pseudo density (963.55874s) stopped
T01 >> 1462354574.71308994 Atomic density matrices (132.96501s) started
T01 << 1462354574.95569110 Atomic density matrices (133.20761s) stopped
T01 >> 1462354574.95573092 Multipole moments (2.16055s) started
T01 << 1462354574.95980310 Multipole moments (2.16462s) stopped
T01 >> 1462354574.95982504 Normalize (0.59640s) started
T01 << 1462354574.96087289 Normalize (0.59745s) stopped
T01 >> 1462354574.96090794 Mix (64.65475s) started
T01 << 1462354575.08219194 Mix (64.77603s) stopped
T01 << 1462354575.08229899 Density (1164.34171s) stopped
T01 >> 1462354575.08239603 Hamiltonian (13136.86620s) started
T01 >> 1462354575.08241391 vbar (7.94498s) started
T01 << 1462354575.09828401 vbar (7.96085s) stopped
T01 >> 1462354575.09837604 XC 3D grid (5692.01559s) started
T01 >> 1462354575.27470398 van der Waals (5494.35535s) started
T01 >> 1462354575.31823397 semilocal (1235.82298s) started
T01 << 1462354577.52963996 semilocal (1238.03438s) stopped
T01 >> 1462354577.56089401 redistribute (597.77439s) started
T01 << 1462354577.94574594 redistribute (598.15924s) stopped
T01 >> 1462354577.94581604 libvdwxc nonlocal (3618.73102s) started
T01 << 1462354584.62049007 libvdwxc nonlocal (3625.40569s) stopped
T01 >> 1462354584.62056208 redistribute (598.15928s) started
T01 << 1462354585.28161693 redistribute (598.82033s) stopped
T01 << 1462354585.28284192 van der Waals (5504.36348s) stopped
T01 << 1462354585.45515704 XC 3D grid (5702.37237s) stopped
T01 >> 1462354585.45520210 Poisson (1161.86453s) started
T01 << 1462354587.24473691 Poisson (1163.65407s) stopped
T01 >> 1462354587.24480391 Hartree integrate/restrict (45.07044s) started
T01 << 1462354587.26380205 Hartree integrate/restrict (45.08944s) stopped
T01 >> 1462354587.26385093 Hartree integrate/restrict (45.08947s) started
T01 << 1462354587.32630396 Hartree integrate/restrict (45.15192s) stopped
T01 >> 1462354587.34930992 Atomic (3501.03469s) started
T01 >> 1462354587.35940790 XC Correction (3493.82205s) started
T01 << 1462354593.41030002 XC Correction (3499.87294s) stopped
T01 << 1462354593.41331196 Atomic (3507.09870s) stopped
T01 >> 1462354593.41341209 Communicate (2717.10686s) started
T01 << 1462354598.80883789 Communicate (2722.50229s) stopped
T01 << 1462354598.80886793 Hamiltonian (13160.59267s) stopped
T01 >> 1462354598.80894303 LCAO eigensolver (4733.39962s) started
T01 >> 1462354598.80895710 Potential matrix (152.38394s) started
T01 << 1462354599.07525492 Potential matrix (152.65024s) stopped
T01 >> 1462354599.07532597 DistributedAtomicCorrection (786.34616s) started
T01 << 1462354600.40932894 DistributedAtomicCorrection (787.68016s) stopped
T01 >> 1462354600.40938711 Distribute overlap matrix (686.52381s) started
T01 >> 1462354600.40940905 blocked summation (651.04296s) started
T01 << 1462354601.54037404 blocked summation (652.17393s) stopped
T01 >> 1462354601.54214311 Scalapack redistribute (34.54280s) started
T01 << 1462354601.60113406 Scalapack redistribute (34.60179s) stopped
T01 << 1462354601.60121608 Distribute overlap matrix (687.71564s) stopped
T01 >> 1462354601.60181189 Blacs Orbital Layouts (1625.19940s) started
T01 >> 1462354601.60296106 General diagonalize (1592.78783s) started
T01 << 1462354604.33404589 General diagonalize (1595.51891s) stopped
T01 >> 1462354604.33409595 Redistribute coefs (1.77102s) started
T01 << 1462354604.33776402 Redistribute coefs (1.77468s) stopped
T01 >> 1462354604.33781004 Send coefs to domains (29.73396s) started
T01 << 1462354604.38677311 Send coefs to domains (29.78292s) stopped
T01 << 1462354604.38705707 Blacs Orbital Layouts (1627.98465s) stopped
T01 >> 1462354604.38711905 Calculate projections (1482.44353s) started
T01 << 1462354606.82968712 Calculate projections (1484.88610s) stopped
T01 << 1462354606.82996392 LCAO eigensolver (4741.42064s) stopped
T01 >> 1462354606.83067608 Density (1164.34173s) started
T01 >> 1462354606.83068895 Pseudo density (963.55875s) started
T01 >> 1462354606.83108997 Calculate density matrix (866.15529s) started
T01 << 1462354608.48218012 Calculate density matrix (867.80638s) stopped
T01 >> 1462354608.48226810 Construct density (96.03053s) started
T01 << 1462354608.66457891 Construct density (96.21284s) stopped
T01 >> 1462354608.66689992 Symmetrize density (0.02438s) started
T01 << 1462354608.66693401 Symmetrize density (0.02441s) stopped
T01 << 1462354608.66738510 Pseudo density (965.39545s) stopped
T01 >> 1462354608.66740489 Atomic density matrices (133.20764s) started
T01 << 1462354608.91035295 Atomic density matrices (133.45059s) stopped
T01 >> 1462354608.91039395 Multipole moments (2.16463s) started
T01 << 1462354608.91452003 Multipole moments (2.16876s) stopped
T01 >> 1462354608.91454196 Normalize (0.59747s) started
T01 << 1462354608.91558409 Normalize (0.59852s) stopped
T01 >> 1462354608.91561890 Mix (64.77614s) started
T01 << 1462354609.03556299 Mix (64.89608s) stopped
T01 << 1462354609.03564811 Density (1166.54670s) stopped
T01 >> 1462354609.03574800 Hamiltonian (13160.59268s) started
T01 >> 1462354609.03576899 vbar (7.96090s) started
T01 << 1462354609.05207992 vbar (7.97721s) stopped
T01 >> 1462354609.05214596 XC 3D grid (5702.37241s) started
T01 >> 1462354609.22405005 van der Waals (5504.36352s) started
T01 >> 1462354609.26806998 semilocal (1238.03448s) started
T01 << 1462354611.50062990 semilocal (1240.26704s) stopped
T01 >> 1462354611.53188896 redistribute (598.82044s) started
T01 << 1462354611.91116595 redistribute (599.19972s) stopped
T01 >> 1462354611.91123700 libvdwxc nonlocal (3625.40574s) started
T01 << 1462354618.59961891 libvdwxc nonlocal (3632.09412s) stopped
T01 >> 1462354618.59971690 redistribute (599.19976s) started
T01 << 1462354619.25758195 redistribute (599.85762s) stopped
T01 << 1462354619.25886703 van der Waals (5514.39833s) stopped
T01 << 1462354619.43301606 XC 3D grid (5712.75328s) stopped
T01 >> 1462354619.43305993 Poisson (1163.65412s) started
T01 << 1462354620.64007306 Poisson (1164.86113s) stopped
T01 >> 1462354620.64016008 Hartree integrate/restrict (45.15196s) started
T01 << 1462354620.65918493 Hartree integrate/restrict (45.17098s) stopped
T01 >> 1462354620.65926600 Hartree integrate/restrict (45.17104s) started
T01 << 1462354620.72138000 Hartree integrate/restrict (45.23315s) stopped
T01 >> 1462354620.74328709 Atomic (3507.09871s) started
T01 >> 1462354620.75334191 XC Correction (3499.87296s) started
T01 << 1462354626.79238296 XC Correction (3505.91200s) stopped
T01 << 1462354626.79538989 Atomic (3513.15081s) stopped
T01 >> 1462354626.79549003 Communicate (2722.50231s) started
T01 << 1462354632.19998693 Communicate (2727.90681s) stopped
T01 << 1462354632.20001602 Hamiltonian (13183.75695s) stopped
T01 >> 1462354632.20008707 LCAO eigensolver (4741.42066s) started
T01 >> 1462354632.20010090 Potential matrix (152.65028s) started
T01 << 1462354632.46529007 Potential matrix (152.91547s) stopped
T01 >> 1462354632.46535993 DistributedAtomicCorrection (787.68020s) started
T01 << 1462354633.79196811 DistributedAtomicCorrection (789.00681s) stopped
T01 >> 1462354633.79202509 Distribute overlap matrix (687.71565s) started
T01 >> 1462354633.79204798 blocked summation (652.17396s) started
T01 << 1462354634.94358206 blocked summation (653.32550s) stopped
T01 >> 1462354634.94532800 Scalapack redistribute (34.60183s) started
T01 << 1462354635.00374103 Scalapack redistribute (34.66024s) stopped
T01 << 1462354635.00381994 Distribute overlap matrix (688.92745s) stopped
T01 >> 1462354635.00441194 Blacs Orbital Layouts (1627.98467s) started
T01 >> 1462354635.00637889 General diagonalize (1595.51895s) started
T01 << 1462354637.73527288 General diagonalize (1598.24785s) stopped
T01 >> 1462354637.73534012 Redistribute coefs (1.77472s) started
T01 << 1462354637.73840094 Redistribute coefs (1.77778s) stopped
T01 >> 1462354637.73844910 Send coefs to domains (29.78297s) started
T01 << 1462354637.78845406 Send coefs to domains (29.83297s) stopped
T01 << 1462354637.78897190 Blacs Orbital Layouts (1630.76923s) stopped
T01 >> 1462354637.78903699 Calculate projections (1484.88616s) started
T01 << 1462354640.23163700 Calculate projections (1487.32876s) stopped
T01 << 1462354640.23191094 LCAO eigensolver (4749.45248s) stopped
T01 << 1462354640.23264003 SCF-cycle (19100.24827s) stopped
T01 >> 1462354641.19462895 Force calculation (1048.92636s) started
T01 >> 1462354641.19469404 LCAO forces (651.29224s) started
T01 >> 1462354641.19504404 Initial (0.00078s) started
T01 << 1462354641.19505501 Initial (0.00079s) stopped
T01 >> 1462354641.19942808 Get density matrix (127.14221s) started
T01 << 1462354641.79869699 Get density matrix (127.74148s) stopped
T01 >> 1462354641.79877305 Potential (46.66673s) started
T01 << 1462354643.21500301 Potential (48.08296s) stopped
T01 >> 1462354643.21506596 Get density matrix (127.74151s) started
T01 << 1462354646.45173097 Get density matrix (130.97818s) stopped
T01 >> 1462354646.45187306 Prepare TCI loop (64.31074s) started
T01 >> 1462354646.45235300 Get neighbors (59.40355s) started
T01 << 1462354648.27518892 Get neighbors (61.22638s) stopped
T01 >> 1462354648.27539611 broadcast dH (4.88329s) started
T01 << 1462354648.28552890 broadcast dH (4.89343s) stopped
T01 << 1462354648.28557396 Prepare TCI loop (66.14445s) stopped
T01 >> 1462354648.28559303 Not so complicated loop (91.64703s) started
T01 << 1462354651.10083199 Not so complicated loop (94.46227s) stopped
T01 >> 1462354651.22662902 Complicated loop (316.90555s) started
T01 << 1462354660.76647806 Complicated loop (326.44540s) stopped
T01 >> 1462354660.77873397 Wait for sum (0.00189s) started
T01 << 1462354660.77877593 Wait for sum (0.00194s) stopped
T01 << 1462354660.77878904 LCAO forces (670.87633s) stopped
T01 << 1462354674.17257094 Force calculation (1081.90430s) stopped
T01 >> 1462354674.19038010 Initialization (1750.68936s) started
T01 << 1462354674.19056797 Initialization (1750.68954s) stopped
T01 >> 1462354674.19084406 Initialization (1750.68956s) started
T01 << 1462354674.19097710 Initialization (1750.68970s) stopped
T01 >> 1462354674.19111204 Initialization (1750.68971s) started
T01 << 1462354674.19124198 Initialization (1750.68984s) stopped
T01 >> 1462354694.48017597 Initialization (1750.68986s) started
T01 >> 1462354694.57086301 Basic WFS set positions (3.37606s) started
T01 >> 1462354694.57088900 Redistribute (0.06297s) started
T01 << 1462354694.57602406 Redistribute (0.06810s) stopped
T01 << 1462354694.66957307 Basic WFS set positions (3.47477s) stopped
T01 >> 1462354694.66960311 Basis functions set positions (14.46501s) started
T01 << 1462354695.07905698 Basis functions set positions (14.87447s) stopped
T01 >> 1462354695.08036804 TCI: Calculate S, T, P (524.63674s) started
T01 << 1462354710.17923188 TCI: Calculate S, T, P (539.73560s) stopped
T01 >> 1462354710.17930508 blocked summation (138.40603s) started
T01 << 1462354714.25085092 blocked summation (142.47758s) stopped
T01 >> 1462354714.25244308 Scalapack redistribute (8.27257s) started
T01 << 1462354714.31044507 Scalapack redistribute (8.33058s) stopped
T01 >> 1462354714.31080198 blocked summation (142.47762s) started
T01 << 1462354714.47994590 blocked summation (142.64677s) stopped
T01 >> 1462354714.48160791 Scalapack redistribute (8.33061s) started
T01 << 1462354714.68160200 Scalapack redistribute (8.53061s) stopped
T01 >> 1462354714.68299890 Redistribute (0.06951s) started
T01 << 1462354714.68399596 Redistribute (0.07051s) stopped
T01 >> 1462354715.58625293 Redistribute (0.07053s) started
T01 << 1462354715.58730006 Redistribute (0.07158s) stopped
T01 >> 1462354715.59790993 LCAO WFS Initialize (1024.74905s) started
T01 >> 1462354715.59793711 Density initialize from wavefunctions (41.32855s) started
T01 >> 1462354715.59834290 Calculate density matrix (23.95518s) started
T01 << 1462354716.30639505 Calculate density matrix (24.66323s) stopped
T01 >> 1462354716.30646491 Construct density (5.90660s) started
T01 << 1462354716.48843908 Construct density (6.08857s) stopped
T01 >> 1462354716.49007106 Symmetrize density (0.00147s) started
T01 << 1462354716.49010301 Symmetrize density (0.00150s) stopped
T01 << 1462354716.82994795 Density initialize from wavefunctions (42.56057s) stopped
T01 >> 1462354716.83042192 Hamiltonian (983.20565s) started
T01 >> 1462354716.83045292 vbar (0.51412s) started
T01 << 1462354716.84709692 vbar (0.53076s) stopped
T01 >> 1462354716.84717011 XC 3D grid (359.48769s) started
T01 >> 1462354717.02830100 van der Waals (347.02728s) started
T01 >> 1462354717.07027602 semilocal (77.56655s) started
T01 << 1462354719.28725910 semilocal (79.78354s) stopped
T01 >> 1462354719.31988096 redistribute (37.38104s) started
T01 << 1462354719.70474601 redistribute (37.76590s) stopped
T01 >> 1462354719.70481896 libvdwxc nonlocal (229.42242s) started
T01 << 1462354726.44002604 libvdwxc nonlocal (236.15763s) stopped
T01 >> 1462354726.44008493 redistribute (37.76594s) started
T01 << 1462354727.08460402 redistribute (38.41046s) stopped
T01 << 1462354727.08566403 van der Waals (357.08465s) stopped
T01 << 1462354727.26654410 XC 3D grid (369.90707s) stopped
T01 >> 1462354727.26660204 Poisson (166.02992s) started
T01 << 1462354731.99898195 Poisson (170.76230s) stopped
T01 >> 1462354731.99906802 Hartree integrate/restrict (2.81186s) started
T01 << 1462354732.01820898 Hartree integrate/restrict (2.83101s) stopped
T01 >> 1462354732.01828003 Hartree integrate/restrict (2.83106s) started
T01 << 1462354732.08469296 Hartree integrate/restrict (2.89747s) stopped
T01 >> 1462354732.10186005 Atomic (232.53891s) started
T01 >> 1462354732.11249590 XC Correction (232.07316s) started
T01 << 1462354738.50248408 XC Correction (238.46315s) stopped
T01 << 1462354738.50555706 Atomic (238.94261s) stopped
T01 >> 1462354738.50576591 Communicate (221.06016s) started
T01 << 1462354745.40046501 Communicate (227.95485s) stopped
T01 << 1462354745.40049505 Hamiltonian (1011.77572s) stopped
T01 << 1462354745.40054989 LCAO WFS Initialize (1054.55169s) stopped
T01 << 1462354745.41285992 Initialization (1801.62254s) stopped
T01 >> 1462354745.43804193 SCF-cycle (19100.24829s) started
T01 >> 1462354745.43808198 LCAO eigensolver (4749.45250s) started
T01 >> 1462354745.43809509 Potential matrix (152.91551s) started
T01 << 1462354745.70362902 Potential matrix (153.18104s) stopped
T01 >> 1462354745.70370603 DistributedAtomicCorrection (789.00684s) started
T01 << 1462354747.04970288 DistributedAtomicCorrection (790.35284s) stopped
T01 >> 1462354747.04976201 Distribute overlap matrix (688.92746s) started
T01 >> 1462354747.04978395 blocked summation (653.32554s) started
T01 << 1462354748.25649095 blocked summation (654.53224s) stopped
T01 >> 1462354748.25799489 Scalapack redistribute (34.66028s) started
T01 << 1462354748.31526804 Scalapack redistribute (34.71755s) stopped
T01 << 1462354748.31535411 Distribute overlap matrix (690.19305s) stopped
T01 >> 1462354748.31593108 Blacs Orbital Layouts (1630.76924s) started
T01 >> 1462354748.31805396 General diagonalize (1598.24789s) started
T01 << 1462354751.04657292 General diagonalize (1600.97640s) stopped
T01 >> 1462354751.04662395 Redistribute coefs (1.77782s) started
T01 << 1462354751.04924703 Redistribute coefs (1.78044s) stopped
T01 >> 1462354751.04929399 Send coefs to domains (29.83301s) started
T01 << 1462354751.09911609 Send coefs to domains (29.88284s) stopped
T01 << 1462354751.09974790 Blacs Orbital Layouts (1633.55306s) stopped
T01 >> 1462354751.09978199 Calculate projections (1487.32881s) started
T01 << 1462354753.56449604 Calculate projections (1489.79352s) stopped
T01 << 1462354753.56457591 LCAO eigensolver (4757.57900s) stopped
T01 >> 1462354753.56523705 Density (1166.54672s) started
T01 >> 1462354753.56524992 Pseudo density (965.39546s) started
T01 >> 1462354753.56565690 Calculate density matrix (867.80643s) started
T01 << 1462354755.21296000 Calculate density matrix (869.45373s) stopped
T01 >> 1462354755.21302795 Construct density (96.21288s) started
T01 << 1462354755.39502406 Construct density (96.39487s) stopped
T01 >> 1462354755.39646101 Symmetrize density (0.02443s) started
T01 << 1462354755.39649606 Symmetrize density (0.02446s) stopped
T01 << 1462354755.39695096 Pseudo density (967.22716s) stopped
T01 >> 1462354755.39697003 Atomic density matrices (133.45062s) started
T01 << 1462354755.64032888 Atomic density matrices (133.69398s) stopped
T01 >> 1462354755.64036894 Multipole moments (2.16878s) started
T01 << 1462354755.64437199 Multipole moments (2.17278s) stopped
T01 >> 1462354755.64439392 Normalize (0.59854s) started
T01 << 1462354755.64545202 Normalize (0.59960s) stopped
T01 >> 1462354755.64548707 Mix (64.89616s) started
T01 << 1462354755.75122094 Mix (65.00189s) stopped
T01 << 1462354755.75132608 Density (1168.73281s) stopped
T01 >> 1462354755.75141811 Hamiltonian (13183.75696s) started
T01 >> 1462354755.75143695 vbar (7.97725s) started
T01 << 1462354755.76775408 vbar (7.99357s) stopped
T01 >> 1462354755.76783395 XC 3D grid (5712.75331s) started
T01 >> 1462354755.94167089 van der Waals (5514.39841s) started
T01 >> 1462354755.98572612 semilocal (1240.26714s) started
T01 << 1462354758.19955611 semilocal (1242.48097s) stopped
T01 >> 1462354758.23158598 redistribute (599.85770s) started
T01 << 1462354758.62670898 redistribute (600.25282s) stopped
T01 >> 1462354758.62679291 libvdwxc nonlocal (3632.09419s) started
T01 << 1462354765.32666111 libvdwxc nonlocal (3638.79406s) stopped
T01 >> 1462354765.32674789 redistribute (600.25287s) started
T01 << 1462354765.97587895 redistribute (600.90200s) stopped
T01 << 1462354765.97690797 van der Waals (5524.43364s) stopped
T01 << 1462354766.15730309 XC 3D grid (5723.14278s) stopped
T01 >> 1462354766.15736389 Poisson (1164.86120s) started
T01 << 1462354768.53979206 Poisson (1167.24362s) stopped
T01 >> 1462354768.53992200 Hartree integrate/restrict (45.23319s) started
T01 << 1462354768.55881500 Hartree integrate/restrict (45.25209s) stopped
T01 >> 1462354768.55894804 Hartree integrate/restrict (45.25218s) started
T01 << 1462354768.62098098 Hartree integrate/restrict (45.31421s) stopped
T01 >> 1462354768.64418507 Atomic (3513.15083s) started
T01 >> 1462354768.65444589 XC Correction (3505.91203s) started
T01 << 1462354775.01524901 XC Correction (3512.27283s) stopped
T01 << 1462354775.01825404 Atomic (3519.52490s) stopped
T01 >> 1462354775.01834989 Communicate (2727.90683s) started
T01 << 1462354781.65836096 Communicate (2734.54684s) stopped
T01 << 1462354781.65839005 Hamiltonian (13209.66394s) stopped
T01 >> 1462354781.65846300 LCAO eigensolver (4757.57901s) started
T01 >> 1462354781.65847707 Potential matrix (153.18108s) started
T01 << 1462354781.92602110 Potential matrix (153.44863s) stopped
T01 >> 1462354781.92609191 DistributedAtomicCorrection (790.35288s) started
T01 << 1462354783.27005696 DistributedAtomicCorrection (791.69684s) stopped
T01 >> 1462354783.27011490 Distribute overlap matrix (690.19306s) started
T01 >> 1462354783.27013803 blocked summation (654.53229s) started
T01 << 1462354784.48728490 blocked summation (655.74943s) stopped
T01 >> 1462354784.48877192 Scalapack redistribute (34.71759s) started
T01 << 1462354784.54841399 Scalapack redistribute (34.77723s) stopped
T01 << 1462354784.54849601 Distribute overlap matrix (691.47145s) stopped
T01 >> 1462354784.54906797 Blacs Orbital Layouts (1633.55308s) started
T01 >> 1462354784.55037403 General diagonalize (1600.97644s) started
T01 << 1462354787.27299500 General diagonalize (1603.69907s) stopped
T01 >> 1462354787.27304506 Redistribute coefs (1.78048s) started
T01 << 1462354787.27566910 Redistribute coefs (1.78310s) stopped
T01 >> 1462354787.27571392 Send coefs to domains (29.88288s) started
T01 << 1462354787.32597709 Send coefs to domains (29.93314s) stopped
T01 << 1462354787.32638502 Blacs Orbital Layouts (1636.33040s) stopped
T01 >> 1462354787.32643700 Calculate projections (1489.79358s) started
T01 << 1462354789.79109693 Calculate projections (1492.25824s) stopped
T01 << 1462354789.79117799 LCAO eigensolver (4765.71173s) stopped
T01 >> 1462354789.79183412 Density (1168.73283s) started
T01 >> 1462354789.79184699 Pseudo density (967.22718s) started
T01 >> 1462354789.79225111 Calculate density matrix (869.45377s) started
T01 << 1462354791.43993592 Calculate density matrix (871.10146s) stopped
T01 >> 1462354791.44000196 Construct density (96.39491s) started
T01 << 1462354791.62196302 Construct density (96.57687s) stopped
T01 >> 1462354791.62339497 Symmetrize density (0.02447s) started
T01 << 1462354791.62342811 Symmetrize density (0.02450s) stopped
T01 << 1462354791.62387800 Pseudo density (969.05921s) stopped
T01 >> 1462354791.62389708 Atomic density matrices (133.69401s) started
T01 << 1462354791.86753392 Atomic density matrices (133.93764s) stopped
T01 >> 1462354791.86757302 Multipole moments (2.17279s) started
T01 << 1462354791.87152290 Multipole moments (2.17674s) stopped
T01 >> 1462354791.87154603 Normalize (0.59962s) started
T01 << 1462354791.87258911 Normalize (0.60067s) stopped
T01 >> 1462354791.87262607 Mix (65.00199s) started
T01 << 1462354791.98054600 Mix (65.10991s) stopped
T01 << 1462354791.98060012 Density (1170.92159s) stopped
T01 >> 1462354791.98067999 Hamiltonian (13209.66395s) started
T01 >> 1462354791.98069692 vbar (7.99361s) started
T01 << 1462354791.99721003 vbar (8.01012s) stopped
T01 >> 1462354791.99727893 XC 3D grid (5723.14283s) started
T01 >> 1462354792.16901708 van der Waals (5524.43368s) started
T01 >> 1462354792.21123290 semilocal (1242.48104s) started
T01 << 1462354794.41689205 semilocal (1244.68670s) stopped
T01 >> 1462354794.44989896 redistribute (600.90205s) started
T01 << 1462354794.84326911 redistribute (601.29542s) stopped
T01 >> 1462354794.84333706 libvdwxc nonlocal (3638.79412s) started
T01 << 1462354801.56440806 libvdwxc nonlocal (3645.51519s) stopped
T01 >> 1462354801.56449294 redistribute (601.29546s) started
T01 << 1462354802.21495295 redistribute (601.94592s) stopped
T01 << 1462354802.21599197 van der Waals (5534.48065s) stopped
T01 << 1462354802.39687109 XC 3D grid (5733.54242s) stopped
T01 >> 1462354802.39691901 Poisson (1167.24372s) started
T01 << 1462354804.19098210 Poisson (1169.03779s) stopped
T01 >> 1462354804.19105291 Hartree integrate/restrict (45.31425s) started
T01 << 1462354804.21032190 Hartree integrate/restrict (45.33352s) stopped
T01 >> 1462354804.21038890 Hartree integrate/restrict (45.33357s) started
T01 << 1462354804.27193999 Hartree integrate/restrict (45.39512s) stopped
T01 >> 1462354804.29531288 Atomic (3519.52492s) started
T01 >> 1462354804.30541492 XC Correction (3512.27286s) started
T01 << 1462354810.46546412 XC Correction (3518.43290s) stopped
T01 << 1462354810.46849895 Atomic (3525.69810s) stopped
T01 >> 1462354810.46860003 Communicate (2734.54686s) started
T01 << 1462354816.68815994 Communicate (2740.76642s) stopped
T01 << 1462354816.68818903 Hamiltonian (13234.37146s) stopped
T01 >> 1462354816.68826008 LCAO eigensolver (4765.71174s) started
T01 >> 1462354816.68827295 Potential matrix (153.44867s) started
T01 << 1462354816.95468211 Potential matrix (153.71508s) stopped
T01 >> 1462354816.95475411 DistributedAtomicCorrection (791.69688s) started
T01 << 1462354818.29971099 DistributedAtomicCorrection (793.04184s) stopped
T01 >> 1462354818.29976797 Distribute overlap matrix (691.47146s) started
T01 >> 1462354818.29978991 blocked summation (655.74947s) started
T01 << 1462354819.51024795 blocked summation (656.95993s) stopped
T01 >> 1462354819.51171708 Scalapack redistribute (34.77727s) started
T01 << 1462354819.57067108 Scalapack redistribute (34.83623s) stopped
T01 << 1462354819.57075000 Distribute overlap matrix (692.74244s) stopped
T01 >> 1462354819.57131195 Blacs Orbital Layouts (1636.33042s) started
T01 >> 1462354819.57271600 General diagonalize (1603.69910s) started
T01 << 1462354822.29918599 General diagonalize (1606.42557s) stopped
T01 >> 1462354822.29924798 Redistribute coefs (1.78314s) started
T01 << 1462354822.30199003 Redistribute coefs (1.78588s) stopped
T01 >> 1462354822.30207396 Send coefs to domains (29.93318s) started
T01 << 1462354822.35179305 Send coefs to domains (29.98290s) stopped
T01 << 1462354822.35216999 Blacs Orbital Layouts (1639.11127s) stopped
T01 >> 1462354822.35222292 Calculate projections (1492.25829s) started
T01 << 1462354824.81682491 Calculate projections (1494.72290s) stopped
T01 << 1462354824.81690407 LCAO eigensolver (4773.84038s) stopped
T01 >> 1462354824.81762195 Density (1170.92161s) started
T01 >> 1462354824.81763506 Pseudo density (969.05922s) started
T01 >> 1462354824.81804109 Calculate density matrix (871.10150s) started
T01 << 1462354826.47047400 Calculate density matrix (872.75393s) stopped
T01 >> 1462354826.47056508 Construct density (96.57690s) started
T01 << 1462354826.65243506 Construct density (96.75877s) stopped
T01 >> 1462354826.65387297 Symmetrize density (0.02452s) started
T01 << 1462354826.65390611 Symmetrize density (0.02455s) stopped
T01 << 1462354826.65434694 Pseudo density (970.89593s) stopped
T01 >> 1462354826.65436697 Atomic density matrices (133.93767s) started
T01 << 1462354826.89645290 Atomic density matrices (134.17976s) stopped
T01 >> 1462354826.89649200 Multipole moments (2.17676s) started
T01 << 1462354826.90044594 Multipole moments (2.18071s) stopped
T01 >> 1462354826.90046811 Normalize (0.60069s) started
T01 << 1462354826.90151095 Normalize (0.60174s) stopped
T01 >> 1462354826.90154600 Mix (65.10997s) started
T01 << 1462354827.01427889 Mix (65.22270s) stopped
T01 << 1462354827.01438498 Density (1173.11837s) stopped
T01 >> 1462354827.01447511 Hamiltonian (13234.37147s) started
T01 >> 1462354827.01449490 vbar (8.01016s) started
T01 << 1462354827.03053999 vbar (8.02621s) stopped
T01 >> 1462354827.03062510 XC 3D grid (5733.54246s) started
T01 >> 1462354827.19979095 van der Waals (5534.48069s) started
T01 >> 1462354827.24335504 semilocal (1244.68682s) started
T01 << 1462354829.44780207 semilocal (1246.89126s) stopped
T01 >> 1462354829.47998691 redistribute (601.94596s) started
T01 << 1462354829.87926102 redistribute (602.34523s) stopped
T01 >> 1462354829.87933111 libvdwxc nonlocal (3645.51525s) started
T01 << 1462354836.57545900 libvdwxc nonlocal (3652.21138s) stopped
T01 >> 1462354836.57554197 redistribute (602.34527s) started
T01 << 1462354837.22421908 redistribute (602.99395s) stopped
T01 << 1462354837.22517800 van der Waals (5544.50608s) stopped
T01 << 1462354837.40957189 XC 3D grid (5743.92140s) stopped
T01 >> 1462354837.40961695 Poisson (1169.03784s) started
T01 << 1462354839.78413296 Poisson (1171.41235s) stopped
T01 >> 1462354839.78421211 Hartree integrate/restrict (45.39515s) started
T01 << 1462354839.80331111 Hartree integrate/restrict (45.41425s) stopped
T01 >> 1462354839.80336189 Hartree integrate/restrict (45.41428s) started
T01 << 1462354839.86437702 Hartree integrate/restrict (45.47530s) stopped
T01 >> 1462354839.88772702 Atomic (3525.69812s) started
T01 >> 1462354839.89791107 XC Correction (3518.43293s) started
T01 << 1462354846.07441497 XC Correction (3524.60943s) stopped
T01 << 1462354846.07739305 Atomic (3531.88779s) stopped
T01 >> 1462354846.07749104 Communicate (2740.76644s) started
T01 << 1462354851.69197893 Communicate (2746.38092s) stopped
T01 << 1462354851.69200897 Hamiltonian (13259.04900s) stopped
T01 >> 1462354851.69208097 LCAO eigensolver (4773.84040s) started
T01 >> 1462354851.69209409 Potential matrix (153.71511s) started
T01 << 1462354851.95902801 Potential matrix (153.98205s) stopped
T01 >> 1462354851.95910001 DistributedAtomicCorrection (793.04187s) started
T01 << 1462354853.30115795 DistributedAtomicCorrection (794.38393s) stopped
T01 >> 1462354853.30121398 Distribute overlap matrix (692.74245s) started
T01 >> 1462354853.30123591 blocked summation (656.95997s) started
T01 << 1462354854.51007795 blocked summation (658.16881s) stopped
T01 >> 1462354854.51156998 Scalapack redistribute (34.83626s) started
T01 << 1462354854.57059908 Scalapack redistribute (34.89529s) stopped
T01 << 1462354854.57068110 Distribute overlap matrix (694.01192s) stopped
T01 >> 1462354854.57124209 Blacs Orbital Layouts (1639.11129s) started
T01 >> 1462354854.57280803 General diagonalize (1606.42561s) started
T01 << 1462354857.28604603 General diagonalize (1609.13885s) stopped
T01 >> 1462354857.28610802 Redistribute coefs (1.78591s) started
T01 << 1462354857.28882098 Redistribute coefs (1.78862s) stopped
T01 >> 1462354857.28890491 Send coefs to domains (29.98294s) started
T01 << 1462354857.33842397 Send coefs to domains (30.03246s) stopped
T01 << 1462354857.33892798 Blacs Orbital Layouts (1641.87898s) stopped
T01 >> 1462354857.33898091 Calculate projections (1494.72295s) started
T01 << 1462354859.80361700 Calculate projections (1497.18758s) stopped
T01 << 1462354859.80370092 LCAO eigensolver (4781.95202s) stopped
T01 >> 1462354859.80444002 Density (1173.11839s) started
T01 >> 1462354859.80445409 Pseudo density (970.89595s) started
T01 >> 1462354859.80486012 Calculate density matrix (872.75398s) started
T01 << 1462354861.45657492 Calculate density matrix (874.40569s) stopped
T01 >> 1462354861.45667100 Construct density (96.75881s) started
T01 << 1462354861.63859606 Construct density (96.94073s) stopped
T01 >> 1462354861.64003396 Symmetrize density (0.02456s) started
T01 << 1462354861.64006805 Symmetrize density (0.02459s) stopped
T01 << 1462354861.64050794 Pseudo density (972.73200s) stopped
T01 >> 1462354861.64052796 Atomic density matrices (134.17978s) started
T01 << 1462354861.88345289 Atomic density matrices (134.42271s) stopped
T01 >> 1462354861.88349104 Multipole moments (2.18073s) started
T01 << 1462354861.88743997 Multipole moments (2.18468s) stopped
T01 >> 1462354861.88746405 Normalize (0.60176s) started
T01 << 1462354861.88851094 Normalize (0.60281s) stopped
T01 >> 1462354861.88854504 Mix (65.22280s) started
T01 << 1462354862.00553393 Mix (65.33979s) stopped
T01 << 1462354862.00563908 Density (1175.31959s) stopped
T01 >> 1462354862.00580192 Hamiltonian (13259.04902s) started
T01 >> 1462354862.00582194 vbar (8.02626s) started
T01 << 1462354862.02175212 vbar (8.04219s) stopped
T01 >> 1462354862.02183700 XC 3D grid (5743.92144s) started
T01 >> 1462354862.20014405 van der Waals (5544.50611s) started
T01 >> 1462354862.24359393 semilocal (1246.89139s) started
T01 << 1462354864.44196892 semilocal (1249.08976s) stopped
T01 >> 1462354864.47384000 redistribute (602.99399s) started
T01 << 1462354864.86981702 redistribute (603.38996s) stopped
T01 >> 1462354864.86988711 libvdwxc nonlocal (3652.21144s) started
T01 << 1462354871.57959199 libvdwxc nonlocal (3658.92114s) stopped
T01 >> 1462354871.57968497 redistribute (603.39000s) started
T01 << 1462354872.23573804 redistribute (604.04606s) stopped
T01 << 1462354872.23678994 van der Waals (5554.54275s) stopped
T01 << 1462354872.41641212 XC 3D grid (5754.31601s) stopped
T01 >> 1462354872.41647196 Poisson (1171.41241s) started
T01 << 1462354874.79903603 Poisson (1173.79498s) stopped
T01 >> 1462354874.79916596 Hartree integrate/restrict (45.47536s) started
T01 << 1462354874.81803608 Hartree integrate/restrict (45.49423s) stopped
T01 >> 1462354874.81820107 Hartree integrate/restrict (45.49434s) started
T01 << 1462354874.88009310 Hartree integrate/restrict (45.55623s) stopped
T01 >> 1462354874.90362191 Atomic (3531.88780s) started
T01 >> 1462354874.91380000 XC Correction (3524.60945s) started
T01 << 1462354881.16617703 XC Correction (3530.86183s) stopped
T01 << 1462354881.16919804 Atomic (3538.15338s) stopped
T01 >> 1462354881.16929698 Communicate (2746.38094s) started
T01 << 1462354886.15963411 Communicate (2751.37128s) stopped
T01 << 1462354886.15966702 Hamiltonian (13283.20288s) stopped
T01 >> 1462354886.15973806 LCAO eigensolver (4781.95203s) started
T01 >> 1462354886.15975094 Potential matrix (153.98209s) started
T01 << 1462354886.42558193 Potential matrix (154.24792s) stopped
T01 >> 1462354886.42566109 DistributedAtomicCorrection (794.38397s) started
T01 << 1462354887.79248691 DistributedAtomicCorrection (795.75079s) stopped
T01 >> 1462354887.79254508 Distribute overlap matrix (694.01193s) started
T01 >> 1462354887.79256701 blocked summation (658.16885s) started
T01 << 1462354888.98861790 blocked summation (659.36491s) stopped
T01 >> 1462354888.99007511 Scalapack redistribute (34.89533s) started
T01 << 1462354889.04969406 Scalapack redistribute (34.95494s) stopped
T01 << 1462354889.04977298 Distribute overlap matrix (695.26916s) stopped
T01 >> 1462354889.05033708 Blacs Orbital Layouts (1641.87900s) started
T01 >> 1462354889.05163097 General diagonalize (1609.13889s) started
T01 << 1462354891.74804306 General diagonalize (1611.83530s) stopped
T01 >> 1462354891.74810600 Redistribute coefs (1.78866s) started
T01 << 1462354891.75080395 Redistribute coefs (1.79136s) stopped
T01 >> 1462354891.75089002 Send coefs to domains (30.03250s) started
T01 << 1462354891.80067897 Send coefs to domains (30.08229s) stopped
T01 << 1462354891.80100393 Blacs Orbital Layouts (1644.62966s) stopped
T01 >> 1462354891.80105495 Calculate projections (1497.18764s) started
T01 << 1462354894.26557493 Calculate projections (1499.65216s) stopped
T01 << 1462354894.26565790 LCAO eigensolver (4790.05795s) stopped
T01 >> 1462354894.26637602 Density (1175.31967s) started
T01 >> 1462354894.26638889 Pseudo density (972.73202s) started
T01 >> 1462354894.26678395 Calculate density matrix (874.40573s) started
T01 << 1462354895.91995311 Calculate density matrix (876.05890s) stopped
T01 >> 1462354895.92004609 Construct density (96.94076s) started
T01 << 1462354896.10191798 Construct density (97.12264s) stopped
T01 >> 1462354896.10334611 Symmetrize density (0.02460s) started
T01 << 1462354896.10337901 Symmetrize density (0.02464s) stopped
T01 << 1462354896.10383010 Pseudo density (974.56946s) stopped
T01 >> 1462354896.10384989 Atomic density matrices (134.42274s) started
T01 << 1462354896.34790301 Atomic density matrices (134.66679s) stopped
T01 >> 1462354896.34794211 Multipole moments (2.18469s) started
T01 << 1462354896.35186911 Multipole moments (2.18862s) stopped
T01 >> 1462354896.35189104 Normalize (0.60283s) started
T01 << 1462354896.35294890 Normalize (0.60389s) stopped
T01 >> 1462354896.35298395 Mix (65.33989s) started
T01 << 1462354896.47368789 Mix (65.46059s) stopped
T01 << 1462354896.47376704 Density (1177.52706s) stopped
T01 >> 1462354896.47385597 Hamiltonian (13283.20289s) started
T01 >> 1462354896.47387505 vbar (8.04223s) started
T01 << 1462354896.48953700 vbar (8.05789s) stopped
T01 >> 1462354896.48964095 XC 3D grid (5754.31606s) started
T01 >> 1462354896.66054893 van der Waals (5554.54278s) started
T01 >> 1462354896.70273805 semilocal (1249.08988s) started
T01 << 1462354898.90936494 semilocal (1251.29651s) stopped
T01 >> 1462354898.94220400 redistribute (604.04611s) started
T01 << 1462354899.34366703 redistribute (604.44757s) stopped
T01 >> 1462354899.34373689 libvdwxc nonlocal (3658.92119s) started
T01 << 1462354906.04916501 libvdwxc nonlocal (3665.62662s) stopped
T01 >> 1462354906.04922295 redistribute (604.44761s) started
T01 << 1462354906.70072794 redistribute (605.09912s) stopped
T01 << 1462354906.70164108 van der Waals (5564.58388s) stopped
T01 << 1462354906.88574600 XC 3D grid (5764.71216s) stopped
T01 >> 1462354906.88579512 Poisson (1173.79508s) started
T01 << 1462354909.26812196 Poisson (1176.17740s) stopped
T01 >> 1462354909.26820588 Hartree integrate/restrict (45.55628s) started
T01 << 1462354909.28723311 Hartree integrate/restrict (45.57531s) stopped
T01 >> 1462354909.28730893 Hartree integrate/restrict (45.57537s) started
T01 << 1462354909.34846210 Hartree integrate/restrict (45.63652s) stopped
T01 >> 1462354909.37169909 Atomic (3538.15340s) started
T01 >> 1462354909.38209510 XC Correction (3530.86186s) started
T01 << 1462354915.73374605 XC Correction (3537.21351s) stopped
T01 << 1462354915.73678589 Atomic (3544.51849s) stopped
T01 >> 1462354915.73688793 Communicate (2751.37130s) started
T01 << 1462354920.68506408 Communicate (2756.31948s) stopped
T01 << 1462354920.68509197 Hamiltonian (13307.41413s) stopped
T01 >> 1462354920.68515992 LCAO eigensolver (4790.05797s) started
T01 >> 1462354920.68517399 Potential matrix (154.24796s) started
T01 << 1462354920.95076299 Potential matrix (154.51355s) stopped
T01 >> 1462354920.95083404 DistributedAtomicCorrection (795.75083s) started
T01 << 1462354922.31313205 DistributedAtomicCorrection (797.11313s) stopped
T01 >> 1462354922.31318903 Distribute overlap matrix (695.26917s) started
T01 >> 1462354922.31321096 blocked summation (659.36495s) started
T01 << 1462354923.44555306 blocked summation (660.49729s) stopped
T01 >> 1462354923.44694996 Scalapack redistribute (34.95498s) started
T01 << 1462354923.50612593 Scalapack redistribute (35.01416s) stopped
T01 << 1462354923.50620508 Distribute overlap matrix (696.46219s) stopped
T01 >> 1462354923.50676990 Blacs Orbital Layouts (1644.62968s) started
T01 >> 1462354923.50806403 General diagonalize (1611.83534s) started
T01 << 1462354926.23688412 General diagonalize (1614.56416s) stopped
T01 >> 1462354926.23694611 Redistribute coefs (1.79139s) started
T01 << 1462354926.24076700 Redistribute coefs (1.79521s) stopped
T01 >> 1462354926.24081397 Send coefs to domains (30.08233s) started
T01 << 1462354926.29007196 Send coefs to domains (30.13159s) stopped
T01 << 1462354926.29039097 Blacs Orbital Layouts (1647.41330s) stopped
T01 >> 1462354926.29044890 Calculate projections (1499.65221s) started
T01 << 1462354928.75470805 Calculate projections (1502.11647s) stopped
T01 << 1462354928.75478792 LCAO eigensolver (4798.12759s) stopped
T01 >> 1462354928.75548792 Density (1177.52708s) started
T01 >> 1462354928.75550103 Pseudo density (974.56947s) started
T01 >> 1462354928.75590611 Calculate density matrix (876.05895s) started
T01 << 1462354930.41288805 Calculate density matrix (877.71593s) stopped
T01 >> 1462354930.41297603 Construct density (97.12267s) started
T01 << 1462354930.59490705 Construct density (97.30460s) stopped
T01 >> 1462354930.59632802 Symmetrize density (0.02465s) started
T01 << 1462354930.59636092 Symmetrize density (0.02468s) stopped
T01 << 1462354930.59681296 Pseudo density (976.41079s) stopped
T01 >> 1462354930.59686303 Atomic density matrices (134.66682s) started
T01 << 1462354930.84128094 Atomic density matrices (134.91124s) stopped
T01 >> 1462354930.84132004 Multipole moments (2.18863s) started
T01 << 1462354930.84525490 Multipole moments (2.19257s) stopped
T01 >> 1462354930.84527802 Normalize (0.60391s) started
T01 << 1462354930.84631109 Normalize (0.60495s) stopped
T01 >> 1462354930.84634590 Mix (65.46067s) started
T01 << 1462354930.96543908 Mix (65.57976s) stopped
T01 << 1462354930.96549702 Density (1179.73709s) stopped
T01 >> 1462354930.96557689 Hamiltonian (13307.41414s) started
T01 >> 1462354930.96559501 vbar (8.05795s) started
T01 << 1462354930.98197007 vbar (8.07433s) stopped
T01 >> 1462354930.98203301 XC 3D grid (5764.71220s) started
T01 >> 1462354931.15651798 van der Waals (5564.58391s) started
T01 >> 1462354931.20001101 semilocal (1251.29663s) started
T01 << 1462354933.42301607 semilocal (1253.51964s) stopped
T01 >> 1462354933.45581508 redistribute (605.09916s) started
T01 << 1462354933.84437299 redistribute (605.48772s) stopped
T01 >> 1462354933.84446192 libvdwxc nonlocal (3665.62666s) started
T01 << 1462354940.53935695 libvdwxc nonlocal (3672.32155s) stopped
T01 >> 1462354940.53944802 redistribute (605.48778s) started
T01 << 1462354941.18579006 redistribute (606.13412s) stopped
T01 << 1462354941.18711495 van der Waals (5574.61450s) stopped
T01 << 1462354941.37241507 XC 3D grid (5775.10258s) stopped
T01 >> 1462354941.37246704 Poisson (1176.17747s) started
T01 << 1462354943.69942594 Poisson (1178.50443s) stopped
T01 >> 1462354943.69950700 Hartree integrate/restrict (45.63655s) started
T01 << 1462354943.71634793 Hartree integrate/restrict (45.65339s) stopped
T01 >> 1462354943.71640611 Hartree integrate/restrict (45.65343s) started
T01 << 1462354943.77917695 Hartree integrate/restrict (45.71620s) stopped
T01 >> 1462354943.80292606 Atomic (3544.51850s) started
T01 >> 1462354943.81334591 XC Correction (3537.21353s) started
T01 << 1462354950.06023407 XC Correction (3543.46042s) stopped
T01 << 1462354950.06327510 Atomic (3550.77885s) stopped
T01 >> 1462354950.06337094 Communicate (2756.31950s) started
T01 << 1462354955.16501808 Communicate (2761.42114s) stopped
T01 << 1462354955.16504788 Hamiltonian (13331.61361s) stopped
T01 >> 1462354955.16512108 LCAO eigensolver (4798.12761s) started
T01 >> 1462354955.16513491 Potential matrix (154.51359s) started
T01 << 1462354955.43302011 Potential matrix (154.78147s) stopped
T01 >> 1462354955.43308496 DistributedAtomicCorrection (797.11316s) started
T01 << 1462354956.79229808 DistributedAtomicCorrection (798.47238s) stopped
T01 >> 1462354956.79235506 Distribute overlap matrix (696.46220s) started
T01 >> 1462354956.79237795 blocked summation (660.49733s) started
T01 << 1462354957.91976595 blocked summation (661.62472s) stopped
T01 >> 1462354957.92120695 Scalapack redistribute (35.01419s) started
T01 << 1462354957.98203111 Scalapack redistribute (35.07502s) stopped
T01 << 1462354957.98211002 Distribute overlap matrix (697.65196s) stopped
T01 >> 1462354957.98268890 Blacs Orbital Layouts (1647.41332s) started
T01 >> 1462354957.98427200 General diagonalize (1614.56420s) started
T01 << 1462354960.68859291 General diagonalize (1617.26852s) stopped
T01 >> 1462354960.68865705 Redistribute coefs (1.79525s) started
T01 << 1462354960.69180107 Redistribute coefs (1.79840s) stopped
T01 >> 1462354960.69184804 Send coefs to domains (30.13163s) started
T01 << 1462354960.73766804 Send coefs to domains (30.17745s) stopped
T01 << 1462354960.73811603 Blacs Orbital Layouts (1650.16875s) stopped
T01 >> 1462354960.73816800 Calculate projections (1502.11653s) started
T01 << 1462354963.20253491 Calculate projections (1504.58089s) stopped
T01 << 1462354963.20261407 LCAO eigensolver (4806.16510s) stopped
T01 >> 1462354963.20334291 Density (1179.73710s) started
T01 >> 1462354963.20335603 Pseudo density (976.41083s) started
T01 >> 1462354963.20375490 Calculate density matrix (877.71597s) started
T01 << 1462354964.85460091 Calculate density matrix (879.36682s) stopped
T01 >> 1462354964.85469508 Construct density (97.30463s) started
T01 << 1462354965.03667593 Construct density (97.48661s) stopped
T01 >> 1462354965.03809190 Symmetrize density (0.02469s) started
T01 << 1462354965.03812599 Symmetrize density (0.02473s) stopped
T01 << 1462354965.03856707 Pseudo density (978.24604s) stopped
T01 >> 1462354965.03858709 Atomic density matrices (134.91126s) started
T01 << 1462354965.28197694 Atomic density matrices (135.15465s) stopped
T01 >> 1462354965.28201699 Multipole moments (2.19258s) started
T01 << 1462354965.28596711 Multipole moments (2.19653s) stopped
T01 >> 1462354965.28599000 Normalize (0.60497s) started
T01 << 1462354965.28702903 Normalize (0.60601s) stopped
T01 >> 1462354965.28706408 Mix (65.57982s) started
T01 << 1462354965.40950298 Mix (65.70226s) stopped
T01 << 1462354965.40957904 Density (1181.94334s) stopped
T01 >> 1462354965.40966010 Hamiltonian (13331.61363s) started
T01 >> 1462354965.40967798 vbar (8.07436s) started
T01 << 1462354965.42442799 vbar (8.08911s) stopped
T01 >> 1462354965.42449188 XC 3D grid (5775.10262s) started
T01 >> 1462354965.59873009 van der Waals (5574.61453s) started
T01 >> 1462354965.64270592 semilocal (1253.51973s) started
T01 << 1462354967.85330701 semilocal (1255.73033s) stopped
T01 >> 1462354967.88601804 redistribute (606.13418s) started
T01 << 1462354968.28229189 redistribute (606.53045s) stopped
T01 >> 1462354968.28237891 libvdwxc nonlocal (3672.32161s) started
T01 << 1462354974.85372400 libvdwxc nonlocal (3678.89296s) stopped
T01 >> 1462354974.85380197 redistribute (606.53051s) started
T01 << 1462354975.50923705 redistribute (607.18594s) stopped
T01 << 1462354975.51026797 van der Waals (5584.52607s) stopped
T01 << 1462354975.68993807 XC 3D grid (5785.36807s) stopped
T01 >> 1462354975.69001389 Poisson (1178.50449s) started
T01 << 1462354978.01300502 Poisson (1180.82748s) stopped
T01 >> 1462354978.01311398 Hartree integrate/restrict (45.71623s) started
T01 << 1462354978.03013897 Hartree integrate/restrict (45.73326s) stopped
T01 >> 1462354978.03026509 Hartree integrate/restrict (45.73335s) started
T01 << 1462354978.09294701 Hartree integrate/restrict (45.79603s) stopped
T01 >> 1462354978.11657596 Atomic (3550.77887s) started
T01 >> 1462354978.12696695 XC Correction (3543.46044s) started
T01 << 1462354984.35477495 XC Correction (3549.68825s) stopped
T01 << 1462354984.35783005 Atomic (3557.02012s) stopped
T01 >> 1462354984.35792708 Communicate (2761.42116s) started
T01 << 1462354989.44364810 Communicate (2766.50688s) stopped
T01 << 1462354989.44367599 Hamiltonian (13355.64764s) stopped
T01 >> 1462354989.44374704 LCAO eigensolver (4806.16511s) started
T01 >> 1462354989.44376111 Potential matrix (154.78150s) started
T01 << 1462354989.71108794 Potential matrix (155.04883s) stopped
T01 >> 1462354989.71115208 DistributedAtomicCorrection (798.47241s) started
T01 << 1462354991.06425905 DistributedAtomicCorrection (799.82552s) stopped
T01 >> 1462354991.06431603 Distribute overlap matrix (697.65197s) started
T01 >> 1462354991.06433797 blocked summation (661.62476s) started
T01 << 1462354992.23654795 blocked summation (662.79697s) stopped
T01 >> 1462354992.23797297 Scalapack redistribute (35.07505s) started
T01 << 1462354992.29674697 Scalapack redistribute (35.13383s) stopped
T01 << 1462354992.29682493 Distribute overlap matrix (698.88448s) stopped
T01 >> 1462354992.29738498 Blacs Orbital Layouts (1650.16877s) started
T01 >> 1462354992.29853392 General diagonalize (1617.26856s) started
T01 << 1462354994.98818493 General diagonalize (1619.95821s) stopped
T01 >> 1462354994.98824692 Redistribute coefs (1.79843s) started
T01 << 1462354994.99185109 Redistribute coefs (1.80204s) stopped
T01 >> 1462354994.99189711 Send coefs to domains (30.17749s) started
T01 << 1462354995.03658390 Send coefs to domains (30.22218s) stopped
T01 << 1462354995.03688192 Blacs Orbital Layouts (1652.90826s) stopped
T01 >> 1462354995.03693390 Calculate projections (1504.58095s) started
T01 << 1462354997.50121999 Calculate projections (1507.04523s) stopped
T01 << 1462354997.50129700 LCAO eigensolver (4814.22266s) stopped
T01 >> 1462354997.50205398 Density (1181.94336s) started
T01 >> 1462354997.50206709 Pseudo density (978.24605s) started
T01 >> 1462354997.50245690 Calculate density matrix (879.36687s) started
T01 << 1462354999.14836001 Calculate density matrix (881.01277s) stopped
T01 >> 1462354999.14845800 Construct density (97.48664s) started
T01 << 1462354999.33037996 Construct density (97.66856s) stopped
T01 >> 1462354999.33180594 Symmetrize density (0.02474s) started
T01 << 1462354999.33184004 Symmetrize density (0.02477s) stopped
T01 << 1462354999.33227706 Pseudo density (980.07626s) stopped
T01 >> 1462354999.33229589 Atomic density matrices (135.15468s) started
T01 << 1462354999.57503605 Atomic density matrices (135.39742s) stopped
T01 >> 1462354999.57507610 Multipole moments (2.19655s) started
T01 << 1462354999.57904291 Multipole moments (2.20051s) stopped
T01 >> 1462354999.57906508 Normalize (0.60604s) started
T01 << 1462354999.58011198 Normalize (0.60708s) stopped
T01 >> 1462354999.58014607 Mix (65.70233s) started
T01 << 1462354999.70022106 Mix (65.82241s) stopped
T01 << 1462354999.70033407 Density (1184.14164s) stopped
T01 >> 1462354999.70042801 Hamiltonian (13355.64766s) started
T01 >> 1462354999.70044708 vbar (8.08915s) started
T01 << 1462354999.71547508 vbar (8.10418s) stopped
T01 >> 1462354999.71554303 XC 3D grid (5785.36813s) started
T01 >> 1462354999.88945389 van der Waals (5584.52610s) started
T01 >> 1462354999.93129492 semilocal (1255.73043s) started
T01 << 1462355002.14761090 semilocal (1257.94675s) stopped
T01 >> 1462355002.18100309 redistribute (607.18600s) started
T01 << 1462355002.57481599 redistribute (607.57981s) stopped
T01 >> 1462355002.57488489 libvdwxc nonlocal (3678.89301s) started
T01 << 1462355009.16043591 libvdwxc nonlocal (3685.47856s) stopped
T01 >> 1462355009.16052389 redistribute (607.57985s) started
T01 << 1462355009.81099296 redistribute (608.23032s) stopped
T01 << 1462355009.81198406 van der Waals (5594.44863s) stopped
T01 << 1462355009.99429798 XC 3D grid (5795.64688s) stopped
T01 >> 1462355009.99435210 Poisson (1180.82756s) started
T01 << 1462355011.74801898 Poisson (1182.58123s) stopped
T01 >> 1462355011.74812698 Hartree integrate/restrict (45.79607s) started
T01 << 1462355011.76521397 Hartree integrate/restrict (45.81315s) stopped
T01 >> 1462355011.76532006 Hartree integrate/restrict (45.81323s) started
T01 << 1462355011.82834911 Hartree integrate/restrict (45.87626s) stopped
T01 >> 1462355011.85115290 Atomic (3557.02014s) started
T01 >> 1462355011.86157799 XC Correction (3549.68828s) started
T01 << 1462355018.10141206 XC Correction (3555.92811s) stopped
T01 << 1462355018.10445189 Atomic (3563.27344s) stopped
T01 >> 1462355018.10455394 Communicate (2766.50690s) started
T01 << 1462355023.17215896 Communicate (2771.57451s) stopped
T01 << 1462355023.17218900 Hamiltonian (13379.11942s) stopped
T01 >> 1462355023.17226100 LCAO eigensolver (4814.22271s) started
T01 >> 1462355023.17227507 Potential matrix (155.04886s) started
T01 << 1462355023.43786407 Potential matrix (155.31445s) stopped
T01 >> 1462355023.43793011 DistributedAtomicCorrection (799.82556s) started
T01 << 1462355024.79038692 DistributedAtomicCorrection (801.17801s) stopped
T01 >> 1462355024.79044604 Distribute overlap matrix (698.88449s) started
T01 >> 1462355024.79046798 blocked summation (662.79701s) started
T01 << 1462355025.96031904 blocked summation (663.96686s) stopped
T01 >> 1462355025.96175504 Scalapack redistribute (35.13386s) started
T01 << 1462355026.02150106 Scalapack redistribute (35.19361s) stopped
T01 << 1462355026.02157998 Distribute overlap matrix (700.11562s) stopped
T01 >> 1462355026.02215004 Blacs Orbital Layouts (1652.90828s) started
T01 >> 1462355026.02330303 General diagonalize (1619.95824s) started
T01 << 1462355028.73056293 General diagonalize (1622.66550s) stopped
T01 >> 1462355028.73062491 Redistribute coefs (1.80207s) started
T01 << 1462355028.73433590 Redistribute coefs (1.80578s) stopped
T01 >> 1462355028.73438311 Send coefs to domains (30.22222s) started
T01 << 1462355028.77924299 Send coefs to domains (30.26708s) stopped
T01 << 1462355028.77954102 Blacs Orbital Layouts (1655.66567s) stopped
T01 >> 1462355028.77959299 Calculate projections (1507.04529s) started
T01 << 1462355031.24381709 Calculate projections (1509.50951s) stopped
T01 << 1462355031.24389410 LCAO eigensolver (4822.29434s) stopped
T01 >> 1462355031.24461794 Density (1184.14166s) started
T01 >> 1462355031.24463105 Pseudo density (980.07628s) started
T01 >> 1462355031.24503493 Calculate density matrix (881.01282s) started
T01 << 1462355032.89483690 Calculate density matrix (882.66262s) stopped
T01 >> 1462355032.89492512 Construct density (97.66859s) started
T01 << 1462355033.07686210 Construct density (97.85053s) stopped
T01 >> 1462355033.07828093 Symmetrize density (0.02478s) started
T01 << 1462355033.07831311 Symmetrize density (0.02482s) stopped
T01 << 1462355033.07876611 Pseudo density (981.91041s) stopped
T01 >> 1462355033.07878494 Atomic density matrices (135.39745s) started
T01 << 1462355033.32299709 Atomic density matrices (135.64166s) stopped
T01 >> 1462355033.32303691 Multipole moments (2.20053s) started
T01 << 1462355033.32698894 Multipole moments (2.20448s) stopped
T01 >> 1462355033.32701206 Normalize (0.60711s) started
T01 << 1462355033.32806301 Normalize (0.60816s) stopped
T01 >> 1462355033.32809901 Mix (65.82251s) started
T01 << 1462355033.44847608 Mix (65.94289s) stopped
T01 << 1462355033.44857907 Density (1186.34562s) stopped
T01 >> 1462355033.44867110 Hamiltonian (13379.11943s) started
T01 >> 1462355033.44868898 vbar (8.10422s) started
T01 << 1462355033.46391106 vbar (8.11944s) stopped
T01 >> 1462355033.46398497 XC 3D grid (5795.64692s) started
T01 >> 1462355033.63101006 van der Waals (5594.44865s) started
T01 >> 1462355033.67341304 semilocal (1257.94683s) started
T01 << 1462355035.86476588 semilocal (1260.13819s) stopped
T01 >> 1462355035.90024996 redistribute (608.23037s) started
T01 << 1462355036.31634593 redistribute (608.64646s) stopped
T01 >> 1462355036.31641698 libvdwxc nonlocal (3685.47862s) started
T01 << 1462355042.89455509 libvdwxc nonlocal (3692.05676s) stopped
T01 >> 1462355042.89466596 redistribute (608.64652s) started
T01 << 1462355043.54611993 redistribute (609.29798s) stopped
T01 << 1462355043.54719400 van der Waals (5604.36484s) stopped
T01 << 1462355043.72781897 XC 3D grid (5805.91076s) stopped
T01 >> 1462355043.72786403 Poisson (1182.58131s) started
T01 << 1462355045.48875308 Poisson (1184.34220s) stopped
T01 >> 1462355045.48883390 Hartree integrate/restrict (45.87629s) started
T01 << 1462355045.50594401 Hartree integrate/restrict (45.89340s) stopped
T01 >> 1462355045.50599599 Hartree integrate/restrict (45.89344s) started
T01 << 1462355045.57404208 Hartree integrate/restrict (45.96148s) stopped
T01 >> 1462355045.59129500 Atomic (3563.27346s) started
T01 >> 1462355045.60175490 XC Correction (3555.92813s) started
T01 << 1462355051.82427812 XC Correction (3562.15066s) stopped
T01 << 1462355051.82732892 Atomic (3569.50949s) stopped
T01 >> 1462355051.82742810 Communicate (2771.57453s) started
T01 << 1462355056.95571089 Communicate (2776.70281s) stopped
T01 << 1462355056.95573997 Hamiltonian (13402.62650s) stopped
T01 >> 1462355056.95581293 LCAO eigensolver (4822.29436s) started
T01 >> 1462355056.95582700 Potential matrix (155.31449s) started
T01 << 1462355057.22542596 Potential matrix (155.58408s) stopped
T01 >> 1462355057.22549295 DistributedAtomicCorrection (801.17805s) started
T01 << 1462355058.61785793 DistributedAtomicCorrection (802.57042s) stopped
T01 >> 1462355058.61791611 Distribute overlap matrix (700.11564s) started
T01 >> 1462355058.61793804 blocked summation (663.96690s) started
T01 << 1462355059.71478009 blocked summation (665.06374s) stopped
T01 >> 1462355059.71621108 Scalapack redistribute (35.19364s) started
T01 << 1462355059.77553606 Scalapack redistribute (35.25297s) stopped
T01 << 1462355059.77561593 Distribute overlap matrix (701.27334s) stopped
T01 >> 1462355059.77619505 Blacs Orbital Layouts (1655.66569s) started
T01 >> 1462355059.77775598 General diagonalize (1622.66554s) started
T01 << 1462355062.47037697 General diagonalize (1625.35816s) stopped
T01 >> 1462355062.47043896 Redistribute coefs (1.80582s) started
T01 << 1462355062.47362089 Redistribute coefs (1.80900s) stopped
T01 >> 1462355062.47367191 Send coefs to domains (30.26712s) started
T01 << 1462355062.51940989 Send coefs to domains (30.31286s) stopped
T01 << 1462355062.51982999 Blacs Orbital Layouts (1658.40932s) stopped
T01 >> 1462355062.51988292 Calculate projections (1509.50956s) started
T01 << 1462355064.98424196 Calculate projections (1511.97392s) stopped
T01 << 1462355064.98432207 LCAO eigensolver (4830.32287s) stopped
T01 >> 1462355064.98506403 Density (1186.34564s) started
T01 >> 1462355064.98507690 Pseudo density (981.91043s) started
T01 >> 1462355064.98547792 Calculate density matrix (882.66266s) started
T01 << 1462355066.63509989 Calculate density matrix (884.31228s) stopped
T01 >> 1462355066.63518691 Construct density (97.85056s) started
T01 << 1462355066.81706905 Construct density (98.03244s) stopped
T01 >> 1462355066.81848788 Symmetrize density (0.02483s) started
T01 << 1462355066.81852102 Symmetrize density (0.02486s) stopped
T01 << 1462355066.81897306 Pseudo density (983.74432s) stopped
T01 >> 1462355066.81899190 Atomic density matrices (135.64169s) started
T01 << 1462355067.06335902 Atomic density matrices (135.88606s) stopped
T01 >> 1462355067.06339693 Multipole moments (2.20450s) started
T01 << 1462355067.06735301 Multipole moments (2.20845s) stopped
T01 >> 1462355067.06737590 Normalize (0.60818s) started
T01 << 1462355067.06840491 Normalize (0.60921s) stopped
T01 >> 1462355067.06843996 Mix (65.94299s) started
T01 << 1462355067.18901706 Mix (66.06357s) stopped
T01 << 1462355067.18912411 Density (1188.54970s) stopped
T01 >> 1462355067.18921494 Hamiltonian (13402.62651s) started
T01 >> 1462355067.18923306 vbar (8.11948s) started
T01 << 1462355067.20427394 vbar (8.13452s) stopped
T01 >> 1462355067.20436001 XC 3D grid (5805.91079s) started
T01 >> 1462355067.38238597 van der Waals (5604.36486s) started
T01 >> 1462355067.42570591 semilocal (1260.13831s) started
T01 << 1462355069.63502789 semilocal (1262.34764s) stopped
T01 >> 1462355069.66753793 redistribute (609.29804s) started
T01 << 1462355070.05183291 redistribute (609.68233s) stopped
T01 >> 1462355070.05190206 libvdwxc nonlocal (3692.05682s) started
T01 << 1462355076.60188389 libvdwxc nonlocal (3698.60681s) stopped
T01 >> 1462355076.60197091 redistribute (609.68237s) started
T01 << 1462355077.25270891 redistribute (610.33311s) stopped
T01 << 1462355077.25377011 van der Waals (5614.23624s) stopped
T01 << 1462355077.43359995 XC 3D grid (5816.14003s) stopped
T01 >> 1462355077.43367004 Poisson (1184.34226s) started
T01 << 1462355079.18936491 Poisson (1186.09796s) stopped
T01 >> 1462355079.18948197 Hartree integrate/restrict (45.96153s) started
T01 << 1462355079.20649695 Hartree integrate/restrict (45.97855s) stopped
T01 >> 1462355079.20663095 Hartree integrate/restrict (45.97864s) started
T01 << 1462355079.27458596 Hartree integrate/restrict (46.04659s) stopped
T01 >> 1462355079.29268098 Atomic (3569.50951s) started
T01 >> 1462355079.30313110 XC Correction (3562.15068s) started
T01 << 1462355085.53597593 XC Correction (3568.38353s) stopped
T01 << 1462355085.53903198 Atomic (3575.75586s) stopped
T01 >> 1462355085.53912902 Communicate (2776.70283s) started
T01 << 1462355090.61137390 Communicate (2781.77507s) stopped
T01 << 1462355090.61140299 Hamiltonian (13426.04870s) stopped
T01 >> 1462355090.61147594 LCAO eigensolver (4830.32288s) started
T01 >> 1462355090.61149001 Potential matrix (155.58412s) started
T01 << 1462355090.87889504 Potential matrix (155.85152s) stopped
T01 >> 1462355090.87896109 DistributedAtomicCorrection (802.57046s) started
T01 << 1462355092.24629998 DistributedAtomicCorrection (803.93779s) stopped
T01 >> 1462355092.24635792 Distribute overlap matrix (701.27335s) started
T01 >> 1462355092.24638009 blocked summation (665.06378s) started
T01 << 1462355093.41426492 blocked summation (666.23166s) stopped
T01 >> 1462355093.41569805 Scalapack redistribute (35.25301s) started
T01 << 1462355093.47408700 Scalapack redistribute (35.31139s) stopped
T01 << 1462355093.47416592 Distribute overlap matrix (702.50116s) stopped
T01 >> 1462355093.47474408 Blacs Orbital Layouts (1658.40934s) started
T01 >> 1462355093.47588897 General diagonalize (1625.35820s) started
T01 << 1462355096.17544293 General diagonalize (1628.05776s) stopped
T01 >> 1462355096.17550397 Redistribute coefs (1.80904s) started
T01 << 1462355096.17906189 Redistribute coefs (1.81260s) stopped
T01 >> 1462355096.17910910 Send coefs to domains (30.31291s) started
T01 << 1462355096.22399712 Send coefs to domains (30.35779s) stopped
T01 << 1462355096.22429609 Blacs Orbital Layouts (1661.15889s) stopped
T01 >> 1462355096.22434807 Calculate projections (1511.97397s) started
T01 << 1462355098.68868589 Calculate projections (1514.43831s) stopped
T01 << 1462355098.68876696 LCAO eigensolver (4838.40017s) stopped
T01 >> 1462355098.68949008 Density (1188.54972s) started
T01 >> 1462355098.68950295 Pseudo density (983.74434s) started
T01 >> 1462355098.68990993 Calculate density matrix (884.31233s) started
T01 << 1462355100.33790708 Calculate density matrix (885.96032s) stopped
T01 >> 1462355100.33799601 Construct density (98.03247s) started
T01 << 1462355100.51986098 Construct density (98.21433s) stopped
T01 >> 1462355100.52127504 Symmetrize density (0.02487s) started
T01 << 1462355100.52130890 Symmetrize density (0.02490s) stopped
T01 << 1462355100.52175593 Pseudo density (985.57659s) stopped
T01 >> 1462355100.52177501 Atomic density matrices (135.88608s) started
T01 << 1462355100.76529002 Atomic density matrices (136.12960s) stopped
T01 >> 1462355100.76533008 Multipole moments (2.20847s) started
T01 << 1462355100.76930404 Multipole moments (2.21244s) stopped
T01 >> 1462355100.76932597 Normalize (0.60924s) started
T01 << 1462355100.77036595 Normalize (0.61028s) stopped
T01 >> 1462355100.77040005 Mix (66.06367s) started
T01 << 1462355100.89110494 Mix (66.18438s) stopped
T01 << 1462355100.89121389 Density (1190.75144s) stopped
T01 >> 1462355100.89130592 Hamiltonian (13426.04871s) started
T01 >> 1462355100.89132309 vbar (8.13457s) started
T01 << 1462355100.90615010 vbar (8.14940s) stopped
T01 >> 1462355100.90623403 XC 3D grid (5816.14009s) started
T01 >> 1462355101.08146405 van der Waals (5614.23628s) started
T01 >> 1462355101.12441111 semilocal (1262.34776s) started
T01 << 1462355103.35641503 semilocal (1264.57976s) stopped
T01 >> 1462355103.38861203 redistribute (610.33315s) started
T01 << 1462355103.76977301 redistribute (610.71431s) stopped
T01 >> 1462355103.76984191 libvdwxc nonlocal (3698.60687s) started
T01 << 1462355110.34589291 libvdwxc nonlocal (3705.18292s) stopped
T01 >> 1462355110.34597993 redistribute (610.71435s) started
T01 << 1462355110.99580693 redistribute (611.36418s) stopped
T01 << 1462355110.99679995 van der Waals (5624.15161s) stopped
T01 << 1462355111.18109703 XC 3D grid (5826.41495s) stopped
T01 >> 1462355111.18114591 Poisson (1186.09804s) started
T01 << 1462355112.93390489 Poisson (1187.85080s) stopped
T01 >> 1462355112.93398499 Hartree integrate/restrict (46.04665s) started
T01 << 1462355112.95109797 Hartree integrate/restrict (46.06376s) stopped
T01 >> 1462355112.95115900 Hartree integrate/restrict (46.06380s) started
T01 << 1462355113.01378298 Hartree integrate/restrict (46.12642s) stopped
T01 >> 1462355113.03619695 Atomic (3575.75588s) started
T01 >> 1462355113.04653907 XC Correction (3568.38355s) started
T01 << 1462355119.26113105 XC Correction (3574.59814s) stopped
T01 << 1462355119.26415300 Atomic (3581.98383s) stopped
T01 >> 1462355119.26425290 Communicate (2781.77509s) started
T01 << 1462355124.37124491 Communicate (2786.88209s) stopped
T01 << 1462355124.37127399 Hamiltonian (13449.52868s) stopped
T01 >> 1462355124.37134504 LCAO eigensolver (4838.40018s) started
T01 >> 1462355124.37135792 Potential matrix (155.85156s) started
T01 << 1462355124.63786602 Potential matrix (156.11806s) stopped
T01 >> 1462355124.63793206 DistributedAtomicCorrection (803.93783s) started
T01 << 1462355126.00921798 DistributedAtomicCorrection (805.30912s) stopped
T01 >> 1462355126.00927496 Distribute overlap matrix (702.50117s) started
T01 >> 1462355126.00929809 blocked summation (666.23170s) started
T01 << 1462355127.18765402 blocked summation (667.41006s) stopped
T01 >> 1462355127.18907404 Scalapack redistribute (35.31143s) started
T01 << 1462355127.24815297 Scalapack redistribute (35.37051s) stopped
T01 << 1462355127.24823499 Distribute overlap matrix (703.74013s) stopped
T01 >> 1462355127.24880791 Blacs Orbital Layouts (1661.15891s) started
T01 >> 1462355127.24995589 General diagonalize (1628.05780s) started
T01 << 1462355129.94561911 General diagonalize (1630.75346s) stopped
T01 >> 1462355129.94567108 Redistribute coefs (1.81263s) started
T01 << 1462355129.94936991 Redistribute coefs (1.81633s) stopped
T01 >> 1462355129.94941807 Send coefs to domains (30.35784s) started
T01 << 1462355129.99429297 Send coefs to domains (30.40271s) stopped
T01 << 1462355129.99457407 Blacs Orbital Layouts (1663.90467s) stopped
T01 >> 1462355129.99462605 Calculate projections (1514.43837s) started
T01 << 1462355132.45895696 Calculate projections (1516.90270s) stopped
T01 << 1462355132.45903707 LCAO eigensolver (4846.48788s) stopped
T01 >> 1462355132.45975399 Density (1190.75146s) started
T01 >> 1462355132.45976710 Pseudo density (985.57660s) started
T01 >> 1462355132.46017504 Calculate density matrix (885.96037s) started
T01 << 1462355134.10836506 Calculate density matrix (887.60856s) stopped
T01 >> 1462355134.10845900 Construct density (98.21436s) started
T01 << 1462355134.29041505 Construct density (98.39632s) stopped
T01 >> 1462355134.29183292 Symmetrize density (0.02492s) started
T01 << 1462355134.29186606 Symmetrize density (0.02495s) stopped
T01 << 1462355134.29230499 Pseudo density (987.40914s) stopped
T01 >> 1462355134.29232502 Atomic density matrices (136.12963s) started
T01 << 1462355134.53565598 Atomic density matrices (136.37296s) stopped
T01 >> 1462355134.53569603 Multipole moments (2.21246s) started
T01 << 1462355134.53969002 Multipole moments (2.21645s) stopped
T01 >> 1462355134.53971195 Normalize (0.61030s) started
T01 << 1462355134.54075098 Normalize (0.61134s) stopped
T01 >> 1462355134.54078698 Mix (66.18448s) started
T01 << 1462355134.66067910 Mix (66.30437s) stopped
T01 << 1462355134.66073704 Density (1192.95244s) stopped
T01 >> 1462355134.66082406 Hamiltonian (13449.52869s) started
T01 >> 1462355134.66084194 vbar (8.14944s) started
T01 << 1462355134.67627501 vbar (8.16488s) stopped
T01 >> 1462355134.67634201 XC 3D grid (5826.41499s) started
T01 >> 1462355134.85192800 van der Waals (5624.15164s) started
T01 >> 1462355134.89488792 semilocal (1264.57984s) started
T01 << 1462355137.10427403 semilocal (1266.78923s) stopped
T01 >> 1462355137.13650393 redistribute (611.36422s) started
T01 << 1462355137.53421211 redistribute (611.76193s) stopped
T01 >> 1462355137.53426099 libvdwxc nonlocal (3705.18298s) started
T01 << 1462355144.10714102 libvdwxc nonlocal (3711.75586s) stopped
T01 >> 1462355144.10722089 redistribute (611.76197s) started
T01 << 1462355144.75593996 redistribute (612.41069s) stopped
T01 << 1462355144.75724196 van der Waals (5634.05696s) stopped
T01 << 1462355144.94394493 XC 3D grid (5836.68259s) stopped
T01 >> 1462355144.94401598 Poisson (1187.85086s) started
T01 << 1462355146.68562508 Poisson (1189.59247s) stopped
T01 >> 1462355146.68571806 Hartree integrate/restrict (46.12646s) started
T01 << 1462355146.70297003 Hartree integrate/restrict (46.14371s) stopped
T01 >> 1462355146.70307803 Hartree integrate/restrict (46.14379s) started
T01 << 1462355146.77194405 Hartree integrate/restrict (46.21265s) stopped
T01 >> 1462355146.79083896 Atomic (3581.98385s) started
T01 >> 1462355146.80107999 XC Correction (3574.59817s) started
T01 << 1462355153.01710010 XC Correction (3580.81419s) stopped
T01 << 1462355153.02012110 Atomic (3588.21313s) stopped
T01 >> 1462355153.02022004 Communicate (2786.88211s) started
T01 << 1462355158.13206005 Communicate (2791.99395s) stopped
T01 << 1462355158.13208294 Hamiltonian (13472.99995s) stopped
T01 >> 1462355158.13214803 LCAO eigensolver (4846.48789s) started
T01 >> 1462355158.13216090 Potential matrix (156.11810s) started
T01 << 1462355158.39791608 Potential matrix (156.38385s) stopped
T01 >> 1462355158.39798188 DistributedAtomicCorrection (805.30915s) started
T01 << 1462355159.74616504 DistributedAtomicCorrection (806.65734s) stopped
T01 >> 1462355159.74621892 Distribute overlap matrix (703.74014s) started
T01 >> 1462355159.74623990 blocked summation (667.41010s) started
T01 << 1462355160.94655704 blocked summation (668.61041s) stopped
T01 >> 1462355160.94795489 Scalapack redistribute (35.37055s) started
T01 << 1462355161.00851202 Scalapack redistribute (35.43110s) stopped
T01 << 1462355161.00859189 Distribute overlap matrix (705.00251s) stopped
T01 >> 1462355161.00917602 Blacs Orbital Layouts (1663.90469s) started
T01 >> 1462355161.01074409 General diagonalize (1630.75350s) started
T01 << 1462355163.68222594 General diagonalize (1633.42498s) stopped
T01 >> 1462355163.68228793 Redistribute coefs (1.81637s) started
T01 << 1462355163.68543506 Redistribute coefs (1.81952s) stopped
T01 >> 1462355163.68548107 Send coefs to domains (30.40276s) started
T01 << 1462355163.73669100 Send coefs to domains (30.45396s) stopped
T01 << 1462355163.73718309 Blacs Orbital Layouts (1666.63270s) stopped
T01 >> 1462355163.73724008 Calculate projections (1516.90275s) started
T01 << 1462355166.19869399 Calculate projections (1519.36420s) stopped
T01 << 1462355166.19877505 LCAO eigensolver (4854.55452s) stopped
T01 >> 1462355166.19950294 Density (1192.95246s) started
T01 >> 1462355166.19951701 Pseudo density (987.40916s) started
T01 >> 1462355166.19991207 Calculate density matrix (887.60860s) started
T01 << 1462355167.86246800 Calculate density matrix (889.27116s) stopped
T01 >> 1462355167.86255503 Construct density (98.39634s) started
T01 << 1462355168.04444289 Construct density (98.57823s) stopped
T01 >> 1462355168.04585910 Symmetrize density (0.02496s) started
T01 << 1462355168.04589391 Symmetrize density (0.02500s) stopped
T01 << 1462355168.04633188 Pseudo density (989.25597s) stopped
T01 >> 1462355168.04635191 Atomic density matrices (136.37299s) started
T01 << 1462355168.29314899 Atomic density matrices (136.61978s) stopped
T01 >> 1462355168.29318810 Multipole moments (2.21646s) started
T01 << 1462355168.29713702 Multipole moments (2.22041s) stopped
T01 >> 1462355168.29715991 Normalize (0.61137s) started
T01 << 1462355168.29819703 Normalize (0.61240s) stopped
T01 >> 1462355168.29823303 Mix (66.30443s) started
T01 << 1462355168.42309308 Mix (66.42929s) stopped
T01 << 1462355168.42321610 Density (1195.17617s) stopped
T01 >> 1462355168.42332697 Hamiltonian (13472.99996s) started
T01 >> 1462355168.42334604 vbar (8.16491s) started
T01 << 1462355168.43712592 vbar (8.17869s) stopped
T01 >> 1462355168.43719006 XC 3D grid (5836.68264s) started
T01 >> 1462355168.60946298 van der Waals (5634.05698s) started
T01 >> 1462355168.65328503 semilocal (1266.78937s) started
T01 << 1462355170.84947300 semilocal (1268.98555s) stopped
T01 >> 1462355170.88432193 redistribute (612.41075s) started
T01 << 1462355171.29668808 redistribute (612.82311s) stopped
T01 >> 1462355171.29675794 libvdwxc nonlocal (3711.75591s) started
T01 << 1462355177.82015800 libvdwxc nonlocal (3718.27931s) stopped
T01 >> 1462355177.82022095 redistribute (612.82315s) started
T01 << 1462355178.46480608 redistribute (613.46774s) stopped
T01 << 1462355178.46587396 van der Waals (5643.91339s) stopped
T01 << 1462355178.64807296 XC 3D grid (5846.89353s) stopped
T01 >> 1462355178.64814591 Poisson (1189.59254s) started
T01 << 1462355179.82222295 Poisson (1190.76662s) stopped
T01 >> 1462355179.82234192 Hartree integrate/restrict (46.21269s) started
T01 << 1462355179.83944893 Hartree integrate/restrict (46.22980s) stopped
T01 >> 1462355179.83956599 Hartree integrate/restrict (46.22989s) started
T01 << 1462355179.90785003 Hartree integrate/restrict (46.29817s) stopped
T01 >> 1462355179.92573094 Atomic (3588.21315s) started
T01 >> 1462355179.93608499 XC Correction (3580.81421s) started
T01 << 1462355186.16381907 XC Correction (3587.04195s) stopped
T01 << 1462355186.16683102 Atomic (3594.45425s) stopped
T01 >> 1462355186.16692901 Communicate (2791.99396s) started
T01 << 1462355191.40835905 Communicate (2797.23539s) stopped
T01 << 1462355191.40838194 Hamiltonian (13495.98502s) stopped
T01 >> 1462355191.40844607 LCAO eigensolver (4854.55453s) started
T01 >> 1462355191.40845895 Potential matrix (156.38389s) started
T01 << 1462355191.67703509 Potential matrix (156.65246s) stopped
T01 >> 1462355191.67709994 DistributedAtomicCorrection (806.65737s) started
T01 << 1462355193.02630591 DistributedAtomicCorrection (808.00657s) stopped
T01 >> 1462355193.02636003 Distribute overlap matrix (705.00252s) started
T01 >> 1462355193.02638197 blocked summation (668.61045s) started
T01 << 1462355194.21466589 blocked summation (669.79874s) stopped
T01 >> 1462355194.21607590 Scalapack redistribute (35.43114s) started
T01 << 1462355194.27698708 Scalapack redistribute (35.49205s) stopped
T01 << 1462355194.27706790 Distribute overlap matrix (706.25323s) stopped
T01 >> 1462355194.27764010 Blacs Orbital Layouts (1666.63272s) started
T01 >> 1462355194.27878499 General diagonalize (1633.42502s) started
T01 << 1462355196.95017695 General diagonalize (1636.09641s) stopped
T01 >> 1462355196.95023799 Redistribute coefs (1.81955s) started
T01 << 1462355196.95387602 Redistribute coefs (1.82319s) stopped
T01 >> 1462355196.95392203 Send coefs to domains (30.45401s) started
T01 << 1462355197.00534701 Send coefs to domains (30.50543s) stopped
T01 << 1462355197.00568199 Blacs Orbital Layouts (1669.36076s) stopped
T01 >> 1462355197.00573206 Calculate projections (1519.36426s) started
T01 << 1462355199.46718907 Calculate projections (1521.82572s) stopped
T01 << 1462355199.46726799 LCAO eigensolver (4862.61335s) stopped
T01 >> 1462355199.46800494 Density (1195.17619s) started
T01 >> 1462355199.46801805 Pseudo density (989.25599s) started
T01 >> 1462355199.46842098 Calculate density matrix (889.27120s) started
T01 << 1462355201.13056397 Calculate density matrix (890.93334s) stopped
T01 >> 1462355201.13065004 Construct density (98.57826s) started
T01 << 1462355201.31257010 Construct density (98.76018s) stopped
T01 >> 1462355201.31398392 Symmetrize density (0.02501s) started
T01 << 1462355201.31401706 Symmetrize density (0.02504s) stopped
T01 << 1462355201.31445599 Pseudo density (991.10242s) stopped
T01 >> 1462355201.31447601 Atomic density matrices (136.61981s) started
T01 << 1462355201.56025410 Atomic density matrices (136.86559s) stopped
T01 >> 1462355201.56029391 Multipole moments (2.22043s) started
T01 << 1462355201.56425190 Multipole moments (2.22439s) stopped
T01 >> 1462355201.56427503 Normalize (0.61243s) started
T01 << 1462355201.56530094 Normalize (0.61346s) stopped
T01 >> 1462355201.56533694 Mix (66.42941s) started
T01 << 1462355201.68753409 Mix (66.55160s) stopped
T01 << 1462355201.68765712 Density (1197.39584s) stopped
T01 >> 1462355201.68776798 Hamiltonian (13495.98503s) started
T01 >> 1462355201.68778801 vbar (8.17873s) started
T01 << 1462355201.70166397 vbar (8.19260s) stopped
T01 >> 1462355201.70172811 XC 3D grid (5846.89358s) started
T01 >> 1462355201.87227011 van der Waals (5643.91341s) started
T01 >> 1462355201.91545391 semilocal (1268.98567s) started
T01 << 1462355204.12108111 semilocal (1271.19130s) stopped
T01 >> 1462355204.15333009 redistribute (613.46779s) started
T01 << 1462355204.56019998 redistribute (613.87466s) stopped
T01 >> 1462355204.56026912 libvdwxc nonlocal (3718.27935s) started
T01 << 1462355211.09858298 libvdwxc nonlocal (3724.81767s) stopped
T01 >> 1462355211.09864211 redistribute (613.87470s) started
T01 << 1462355211.74475288 redistribute (614.52081s) stopped
T01 << 1462355211.74585509 van der Waals (5653.78700s) stopped
T01 << 1462355211.92772007 XC 3D grid (5857.11958s) stopped
T01 >> 1462355211.92777109 Poisson (1190.76671s) started
T01 << 1462355213.10183597 Poisson (1191.94078s) stopped
T01 >> 1462355213.10190797 Hartree integrate/restrict (46.29821s) started
T01 << 1462355213.11884594 Hartree integrate/restrict (46.31515s) stopped
T01 >> 1462355213.11889505 Hartree integrate/restrict (46.31518s) started
T01 << 1462355213.18716502 Hartree integrate/restrict (46.38345s) stopped
T01 >> 1462355213.20558810 Atomic (3594.45426s) started
T01 >> 1462355213.21588206 XC Correction (3587.04197s) started
T01 << 1462355219.44508290 XC Correction (3593.27117s) stopped
T01 << 1462355219.44809198 Atomic (3600.69677s) stopped
T01 >> 1462355219.44819188 Communicate (2797.23541s) started
T01 << 1462355224.79586911 Communicate (2802.58308s) stopped
T01 << 1462355224.79589105 Hamiltonian (13519.09316s) stopped
T01 >> 1462355224.79595590 LCAO eigensolver (4862.61337s) started
T01 >> 1462355224.79596901 Potential matrix (156.65249s) started
T01 << 1462355225.06254792 Potential matrix (156.91907s) stopped
T01 >> 1462355225.06261396 DistributedAtomicCorrection (808.00661s) started
T01 << 1462355226.40693998 DistributedAtomicCorrection (809.35093s) stopped
T01 >> 1462355226.40699196 Distribute overlap matrix (706.25324s) started
T01 >> 1462355226.40701509 blocked summation (669.79878s) started
T01 << 1462355227.62364101 blocked summation (671.01540s) stopped
T01 >> 1462355227.62503505 Scalapack redistribute (35.49209s) started
T01 << 1462355227.68494391 Scalapack redistribute (35.55200s) stopped
T01 << 1462355227.68502307 Distribute overlap matrix (707.53128s) stopped
T01 >> 1462355227.68559194 Blacs Orbital Layouts (1669.36078s) started
T01 >> 1462355227.68674493 General diagonalize (1636.09645s) started
T01 << 1462355230.35368204 General diagonalize (1638.76339s) stopped
T01 >> 1462355230.35374498 Redistribute coefs (1.82323s) started
T01 << 1462355230.35739303 Redistribute coefs (1.82688s) stopped
T01 >> 1462355230.35743904 Send coefs to domains (30.50547s) started
T01 << 1462355230.40788102 Send coefs to domains (30.55591s) stopped
T01 << 1462355230.40819311 Blacs Orbital Layouts (1672.08338s) stopped
T01 >> 1462355230.40824890 Calculate projections (1521.82577s) started
T01 << 1462355232.86978793 Calculate projections (1524.28731s) stopped
T01 << 1462355232.86986804 LCAO eigensolver (4870.68728s) stopped
T01 >> 1462355232.87058091 Density (1197.39586s) started
T01 >> 1462355232.87059402 Pseudo density (991.10244s) started
T01 >> 1462355232.87099600 Calculate density matrix (890.93339s) started
T01 << 1462355234.54761910 Calculate density matrix (892.61001s) stopped
T01 >> 1462355234.54770589 Construct density (98.76021s) started
T01 << 1462355234.72958207 Construct density (98.94209s) stopped
T01 >> 1462355234.73100209 Symmetrize density (0.02505s) started
T01 << 1462355234.73103404 Symmetrize density (0.02508s) stopped
T01 << 1462355234.73147106 Pseudo density (992.96332s) stopped
T01 >> 1462355234.73148990 Atomic density matrices (136.86562s) started
T01 << 1462355234.97884989 Atomic density matrices (137.11298s) stopped
T01 >> 1462355234.97888994 Multipole moments (2.22440s) started
T01 << 1462355234.98286295 Multipole moments (2.22838s) stopped
T01 >> 1462355234.98288488 Normalize (0.61348s) started
T01 << 1462355234.98393393 Normalize (0.61453s) stopped
T01 >> 1462355234.98396897 Mix (66.55172s) started
T01 << 1462355235.10603404 Mix (66.67379s) stopped
T01 << 1462355235.10616207 Density (1199.63144s) stopped
T01 >> 1462355235.10627508 Hamiltonian (13519.09317s) started
T01 >> 1462355235.10629606 vbar (8.19264s) started
T01 << 1462355235.12006402 vbar (8.20641s) stopped
T01 >> 1462355235.12014008 XC 3D grid (5857.11962s) started
T01 >> 1462355235.29420304 van der Waals (5653.78703s) started
T01 >> 1462355235.33734703 semilocal (1271.19143s) started
T01 << 1462355237.55383611 semilocal (1273.40792s) stopped
T01 >> 1462355237.58547306 redistribute (614.52085s) started
T01 << 1462355237.97058105 redistribute (614.90596s) stopped
T01 >> 1462355237.97065401 libvdwxc nonlocal (3724.81770s) started
T01 << 1462355244.54594898 libvdwxc nonlocal (3731.39300s) stopped
T01 >> 1462355244.54603195 redistribute (614.90600s) started
T01 << 1462355245.18579292 redistribute (615.54576s) stopped
T01 << 1462355245.18683100 van der Waals (5663.67966s) stopped
T01 << 1462355245.36777592 XC 3D grid (5867.36725s) stopped
T01 >> 1462355245.36782002 Poisson (1191.94083s) started
T01 << 1462355246.54612207 Poisson (1193.11913s) stopped
T01 >> 1462355246.54621291 Hartree integrate/restrict (46.38350s) started
T01 << 1462355246.56330490 Hartree integrate/restrict (46.40059s) stopped
T01 >> 1462355246.56337905 Hartree integrate/restrict (46.40064s) started
T01 << 1462355246.63222790 Hartree integrate/restrict (46.46949s) stopped
T01 >> 1462355246.65075397 Atomic (3600.69678s) started
T01 >> 1462355246.66138411 XC Correction (3593.27119s) started
T01 << 1462355252.86663198 XC Correction (3599.47644s) stopped
T01 << 1462355252.86966300 Atomic (3606.91569s) stopped
T01 >> 1462355252.86975694 Communicate (2802.58310s) started
T01 << 1462355258.16512990 Communicate (2807.87847s) stopped
T01 << 1462355258.16515303 Hamiltonian (13542.15205s) stopped
T01 >> 1462355258.16521692 LCAO eigensolver (4870.68729s) started
T01 >> 1462355258.16523004 Potential matrix (156.91911s) started
T01 << 1462355258.43138194 Potential matrix (157.18526s) stopped
T01 >> 1462355258.43144798 DistributedAtomicCorrection (809.35097s) started
T01 << 1462355259.78328896 DistributedAtomicCorrection (810.70281s) stopped
T01 >> 1462355259.78334093 Distribute overlap matrix (707.53129s) started
T01 >> 1462355259.78336310 blocked summation (671.01544s) started
T01 << 1462355261.00635004 blocked summation (672.23843s) stopped
T01 >> 1462355261.00772691 Scalapack redistribute (35.55203s) started
T01 << 1462355261.06789494 Scalapack redistribute (35.61220s) stopped
T01 << 1462355261.06797290 Distribute overlap matrix (708.81592s) stopped
T01 >> 1462355261.06854892 Blacs Orbital Layouts (1672.08340s) started
T01 >> 1462355261.07010889 General diagonalize (1638.76342s) started
T01 << 1462355263.75013590 General diagonalize (1641.44345s) stopped
T01 >> 1462355263.75019789 Redistribute coefs (1.82691s) started
T01 << 1462355263.75342894 Redistribute coefs (1.83014s) stopped
T01 >> 1462355263.75347590 Send coefs to domains (30.55596s) started
T01 << 1462355263.80443406 Send coefs to domains (30.60691s) stopped
T01 << 1462355263.80491805 Blacs Orbital Layouts (1674.81977s) stopped
T01 >> 1462355263.80497503 Calculate projections (1524.28736s) started
T01 << 1462355266.26670694 Calculate projections (1526.74909s) stopped
T01 << 1462355266.26678610 LCAO eigensolver (4878.78886s) stopped
T01 << 1462355266.26759291 SCF-cycle (19621.07784s) stopped
T01 >> 1462355267.23091102 Force calculation (1081.90433s) started
T01 >> 1462355267.23097301 LCAO forces (670.87634s) started
T01 >> 1462355267.23132706 Initial (0.00080s) started
T01 << 1462355267.23133802 Initial (0.00081s) stopped
T01 >> 1462355267.23573303 Get density matrix (130.97822s) started
T01 << 1462355267.84417009 Get density matrix (131.58666s) stopped
T01 >> 1462355267.84423995 Potential (48.08300s) started
T01 << 1462355269.26914692 Potential (49.50790s) stopped
T01 >> 1462355269.26919889 Get density matrix (131.58670s) started
T01 << 1462355272.46283293 Get density matrix (134.78033s) stopped
T01 >> 1462355272.46295500 Prepare TCI loop (66.14446s) started
T01 >> 1462355272.46341896 Get neighbors (61.22642s) started
T01 << 1462355274.27525496 Get neighbors (63.03826s) stopped
T01 >> 1462355274.27548099 broadcast dH (4.89345s) started
T01 << 1462355274.36105108 broadcast dH (4.97902s) stopped
T01 << 1462355274.36109591 Prepare TCI loop (68.04260s) stopped
T01 >> 1462355274.36111307 Not so complicated loop (94.46231s) started
T01 << 1462355277.17067504 Not so complicated loop (97.27188s) stopped
T01 >> 1462355277.29469395 Complicated loop (326.44544s) started
T01 << 1462355286.82240200 Complicated loop (335.97315s) stopped
T01 >> 1462355286.83624911 Wait for sum (0.00195s) started
T01 << 1462355286.83629298 Wait for sum (0.00199s) stopped
T01 << 1462355286.83630610 LCAO forces (690.48168s) stopped
T01 << 1462355298.81657791 Force calculation (1113.49000s) stopped
T01 >> 1462355298.83432698 Initialization (1801.62256s) started
T01 << 1462355298.83452106 Initialization (1801.62275s) stopped
T01 >> 1462355298.83480310 Initialization (1801.62277s) started
T01 << 1462355298.83493805 Initialization (1801.62291s) stopped
T01 >> 1462355298.83507705 Initialization (1801.62292s) started
T01 << 1462355298.83521008 Initialization (1801.62305s) stopped
T01 >> 1462355319.15559101 Initialization (1801.62307s) started
T01 >> 1462355319.25114393 Basic WFS set positions (3.47479s) started
T01 >> 1462355319.25116897 Redistribute (0.06812s) started
T01 << 1462355319.25131011 Redistribute (0.06826s) stopped
T01 << 1462355319.34645510 Basic WFS set positions (3.57010s) stopped
T01 >> 1462355319.34648895 Basis functions set positions (14.87450s) started
T01 << 1462355319.75415301 Basis functions set positions (15.28216s) stopped
T01 >> 1462355319.75479698 TCI: Calculate S, T, P (539.73564s) started
T01 << 1462355334.78569508 TCI: Calculate S, T, P (554.76654s) stopped
T01 >> 1462355334.78576803 blocked summation (142.64680s) started
T01 << 1462355338.87001896 blocked summation (146.73105s) stopped
T01 >> 1462355338.87165499 Scalapack redistribute (8.53064s) started
T01 << 1462355338.93067789 Scalapack redistribute (8.58967s) stopped
T01 >> 1462355338.93102193 blocked summation (146.73109s) started
T01 << 1462355339.09018111 blocked summation (146.89025s) stopped
T01 >> 1462355339.09193301 Scalapack redistribute (8.58973s) started
T01 << 1462355339.28934598 Scalapack redistribute (8.78715s) stopped
T01 >> 1462355339.29071689 Redistribute (0.07162s) started
T01 << 1462355339.29167390 Redistribute (0.07257s) stopped
T01 >> 1462355340.21350408 Redistribute (0.07259s) started
T01 << 1462355340.21450305 Redistribute (0.07359s) stopped
T01 >> 1462355340.22380304 LCAO WFS Initialize (1054.55170s) started
T01 >> 1462355340.22383404 Density initialize from wavefunctions (42.56061s) started
T01 >> 1462355340.22423911 Calculate density matrix (24.66327s) started
T01 << 1462355340.93220901 Calculate density matrix (25.37124s) stopped
T01 >> 1462355340.93227410 Construct density (6.08860s) started
T01 << 1462355341.11214495 Construct density (6.26847s) stopped
T01 >> 1462355341.11375499 Symmetrize density (0.00151s) started
T01 << 1462355341.11378908 Symmetrize density (0.00154s) stopped
T01 << 1462355341.45811796 Density initialize from wavefunctions (43.79490s) stopped
T01 >> 1462355341.45875001 Hamiltonian (1011.77574s) started
T01 >> 1462355341.45879292 vbar (0.53080s) started
T01 << 1462355341.47363400 vbar (0.54564s) stopped
T01 >> 1462355341.47373390 XC 3D grid (369.90711s) started
T01 >> 1462355341.65018010 van der Waals (357.08470s) started
T01 >> 1462355341.69303894 semilocal (79.78361s) started
T01 << 1462355343.90254998 semilocal (81.99312s) stopped
T01 >> 1462355343.93775511 redistribute (38.41051s) started
T01 << 1462355344.34487796 redistribute (38.81763s) stopped
T01 >> 1462355344.34494901 libvdwxc nonlocal (236.15766s) started
T01 << 1462355350.90794992 libvdwxc nonlocal (242.72066s) stopped
T01 >> 1462355350.90802789 redistribute (38.81767s) started
T01 << 1462355351.57665992 redistribute (39.48630s) stopped
T01 << 1462355351.57839394 van der Waals (367.01291s) stopped
T01 << 1462355351.76225591 XC 3D grid (380.19563s) stopped
T01 >> 1462355351.76230001 Poisson (170.76237s) started
T01 << 1462355355.85976911 Poisson (174.85984s) stopped
T01 >> 1462355355.85985708 Hartree integrate/restrict (2.89750s) started
T01 << 1462355355.87691593 Hartree integrate/restrict (2.91456s) stopped
T01 >> 1462355355.87697911 Hartree integrate/restrict (2.91460s) started
T01 << 1462355355.93926406 Hartree integrate/restrict (2.97689s) stopped
T01 >> 1462355355.96280503 Atomic (238.94263s) started
T01 >> 1462355355.97338605 XC Correction (238.46317s) started
T01 << 1462355362.56501389 XC Correction (245.05480s) stopped
T01 << 1462355362.56808090 Atomic (245.54790s) stopped
T01 >> 1462355362.56829000 Communicate (227.95487s) started
T01 << 1462355369.29738092 Communicate (234.68397s) stopped
T01 << 1462355369.29740500 Hamiltonian (1039.61439s) stopped
T01 << 1462355369.29745603 LCAO WFS Initialize (1083.62535s) stopped
T01 << 1462355369.30958390 Initialization (1851.77707s) stopped
T01 >> 1462355369.33473492 SCF-cycle (19621.07786s) started
T01 >> 1462355369.33477497 LCAO eigensolver (4878.78887s) started
T01 >> 1462355369.33478689 Potential matrix (157.18529s) started
T01 << 1462355369.60278797 Potential matrix (157.45329s) stopped
T01 >> 1462355369.60285711 DistributedAtomicCorrection (810.70284s) started
T01 << 1462355370.94330692 DistributedAtomicCorrection (812.04329s) stopped
T01 >> 1462355370.94336295 Distribute overlap matrix (708.81593s) started
T01 >> 1462355370.94338608 blocked summation (672.23847s) started
T01 << 1462355372.09458208 blocked summation (673.38967s) stopped
T01 >> 1462355372.09608102 Scalapack redistribute (35.61224s) started
T01 << 1462355372.15477800 Scalapack redistribute (35.67093s) stopped
T01 << 1462355372.15486193 Distribute overlap matrix (710.02743s) stopped
T01 >> 1462355372.15542603 Blacs Orbital Layouts (1674.81978s) started
T01 >> 1462355372.15690207 General diagonalize (1641.44349s) started
T01 << 1462355374.83577394 General diagonalize (1644.12236s) stopped
T01 >> 1462355374.83582401 Redistribute coefs (1.83018s) started
T01 << 1462355374.83893991 Redistribute coefs (1.83330s) stopped
T01 >> 1462355374.83898711 Send coefs to domains (30.60696s) started
T01 << 1462355374.89357805 Send coefs to domains (30.66155s) stopped
T01 << 1462355374.89398909 Blacs Orbital Layouts (1677.55835s) stopped
T01 >> 1462355374.89402199 Calculate projections (1526.74915s) started
T01 << 1462355377.35559702 Calculate projections (1529.21072s) stopped
T01 << 1462355377.35567808 LCAO eigensolver (4886.80978s) stopped
T01 >> 1462355377.35650110 Density (1199.63146s) started
T01 >> 1462355377.35651398 Pseudo density (992.96333s) started
T01 >> 1462355377.35691690 Calculate density matrix (892.61005s) started
T01 << 1462355378.99572396 Calculate density matrix (894.24886s) stopped
T01 >> 1462355378.99579000 Construct density (98.94212s) started
T01 << 1462355379.17663002 Construct density (99.12296s) stopped
T01 >> 1462355379.17822409 Symmetrize density (0.02509s) started
T01 << 1462355379.17825890 Symmetrize density (0.02513s) stopped
T01 << 1462355379.17872405 Pseudo density (994.78554s) stopped
T01 >> 1462355379.17874289 Atomic density matrices (137.11301s) started
T01 << 1462355379.42713809 Atomic density matrices (137.36140s) stopped
T01 >> 1462355379.42717791 Multipole moments (2.22839s) started
T01 << 1462355379.43132305 Multipole moments (2.23254s) stopped
T01 >> 1462355379.43134499 Normalize (0.61456s) started
T01 << 1462355379.43239808 Normalize (0.61561s) stopped
T01 >> 1462355379.43243289 Mix (66.67391s) started
T01 << 1462355379.54157400 Mix (66.78305s) stopped
T01 << 1462355379.54162192 Density (1201.81659s) stopped
T01 >> 1462355379.54170799 Hamiltonian (13542.15206s) started
T01 >> 1462355379.54172611 vbar (8.20645s) started
T01 << 1462355379.55455303 vbar (8.21928s) stopped
T01 >> 1462355379.55466104 XC 3D grid (5867.36729s) started
T01 >> 1462355379.72782898 van der Waals (5663.67973s) started
T01 >> 1462355379.77168989 semilocal (1273.40802s) started
T01 << 1462355382.00030708 semilocal (1275.63664s) stopped
T01 >> 1462355382.03240204 redistribute (615.54581s) started
T01 << 1462355382.41665792 redistribute (615.93007s) stopped
T01 >> 1462355382.41672707 libvdwxc nonlocal (3731.39306s) started
T01 << 1462355388.99910092 libvdwxc nonlocal (3737.97543s) stopped
T01 >> 1462355388.99918008 redistribute (615.93011s) started
T01 << 1462355389.65383101 redistribute (616.58476s) stopped
T01 << 1462355389.65514708 van der Waals (5673.60705s) stopped
T01 << 1462355389.83267808 XC 3D grid (5877.64530s) stopped
T01 >> 1462355389.83273697 Poisson (1193.11920s) started
T01 << 1462355391.61124706 Poisson (1194.89771s) stopped
T01 >> 1462355391.61134291 Hartree integrate/restrict (46.46952s) started
T01 << 1462355391.62833595 Hartree integrate/restrict (46.48652s) stopped
T01 >> 1462355391.62841606 Hartree integrate/restrict (46.48657s) started
T01 << 1462355391.69091892 Hartree integrate/restrict (46.54907s) stopped
T01 >> 1462355391.71447706 Atomic (3606.91571s) started
T01 >> 1462355391.72464895 XC Correction (3599.47647s) started
T01 << 1462355398.28268290 XC Correction (3606.03450s) stopped
T01 << 1462355398.28566909 Atomic (3613.48690s) stopped
T01 >> 1462355398.28576708 Communicate (2807.87849s) started
T01 << 1462355404.78826308 Communicate (2814.38098s) stopped
T01 << 1462355404.78828907 Hamiltonian (13567.39864s) stopped
T01 >> 1462355404.78835297 LCAO eigensolver (4886.80979s) started
T01 >> 1462355404.78836608 Potential matrix (157.45333s) started
T01 << 1462355405.05405593 Potential matrix (157.71902s) stopped
T01 >> 1462355405.05412412 DistributedAtomicCorrection (812.04332s) started
T01 << 1462355406.39090395 DistributedAtomicCorrection (813.38010s) stopped
T01 >> 1462355406.39095807 Distribute overlap matrix (710.02745s) started
T01 >> 1462355406.39098096 blocked summation (673.38971s) started
T01 << 1462355407.55522704 blocked summation (674.55395s) stopped
T01 >> 1462355407.55672598 Scalapack redistribute (35.67097s) started
T01 << 1462355407.61452198 Scalapack redistribute (35.72877s) stopped
T01 << 1462355407.61460209 Distribute overlap matrix (711.25109s) stopped
T01 >> 1462355407.61517000 Blacs Orbital Layouts (1677.55837s) started
T01 >> 1462355407.61663103 General diagonalize (1644.12240s) started
T01 << 1462355410.30347800 General diagonalize (1646.80925s) stopped
T01 >> 1462355410.30354095 Redistribute coefs (1.83333s) started
T01 << 1462355410.30707002 Redistribute coefs (1.83686s) stopped
T01 >> 1462355410.30711794 Send coefs to domains (30.66159s) started
T01 << 1462355410.36259007 Send coefs to domains (30.71706s) stopped
T01 << 1462355410.36303401 Blacs Orbital Layouts (1680.30623s) stopped
T01 >> 1462355410.36308789 Calculate projections (1529.21078s) started
T01 << 1462355412.82455897 Calculate projections (1531.67225s) stopped
T01 << 1462355412.82463789 LCAO eigensolver (4894.84607s) stopped
T01 >> 1462355412.82530808 Density (1201.81660s) started
T01 >> 1462355412.82532096 Pseudo density (994.78555s) started
T01 >> 1462355412.82573199 Calculate density matrix (894.24890s) started
T01 << 1462355414.46862411 Calculate density matrix (895.89179s) stopped
T01 >> 1462355414.46869707 Construct density (99.12299s) started
T01 << 1462355414.64939904 Construct density (99.30369s) stopped
T01 >> 1462355414.65081906 Symmetrize density (0.02514s) started
T01 << 1462355414.65085411 Symmetrize density (0.02518s) stopped
T01 << 1462355414.65130806 Pseudo density (996.61154s) stopped
T01 >> 1462355414.65132809 Atomic density matrices (137.36143s) started
T01 << 1462355414.89945793 Atomic density matrices (137.60956s) stopped
T01 >> 1462355414.89949799 Multipole moments (2.23255s) started
T01 << 1462355414.90362191 Multipole moments (2.23667s) stopped
T01 >> 1462355414.90364599 Normalize (0.61563s) started
T01 << 1462355414.90470910 Normalize (0.61670s) stopped
T01 >> 1462355414.90474391 Mix (66.78310s) started
T01 << 1462355415.01570106 Mix (66.89405s) stopped
T01 << 1462355415.01580000 Density (1204.00709s) stopped
T01 >> 1462355415.01589203 Hamiltonian (13567.39865s) started
T01 >> 1462355415.01590991 vbar (8.21934s) started
T01 << 1462355415.02941298 vbar (8.23284s) stopped
T01 >> 1462355415.02947497 XC 3D grid (5877.64535s) started
T01 >> 1462355415.20693898 van der Waals (5673.60710s) started
T01 >> 1462355415.24951100 semilocal (1275.63670s) started
T01 << 1462355417.47033811 semilocal (1277.85752s) stopped
T01 >> 1462355417.50146508 redistribute (616.58481s) started
T01 << 1462355417.87325311 redistribute (616.95659s) stopped
T01 >> 1462355417.87332201 libvdwxc nonlocal (3737.97549s) started
T01 << 1462355424.40203595 libvdwxc nonlocal (3744.50420s) stopped
T01 >> 1462355424.40209794 redistribute (616.95663s) started
T01 << 1462355425.05475903 redistribute (617.60929s) stopped
T01 << 1462355425.05603194 van der Waals (5683.45619s) stopped
T01 << 1462355425.23387098 XC 3D grid (5887.84974s) stopped
T01 >> 1462355425.23391604 Poisson (1194.89778s) started
T01 << 1462355427.01276588 Poisson (1196.67663s) stopped
T01 >> 1462355427.01290488 Hartree integrate/restrict (46.54911s) started
T01 << 1462355427.02991700 Hartree integrate/restrict (46.56612s) stopped
T01 >> 1462355427.02997088 Hartree integrate/restrict (46.56616s) started
T01 << 1462355427.09827900 Hartree integrate/restrict (46.63446s) stopped
T01 >> 1462355427.11619091 Atomic (3613.48692s) started
T01 >> 1462355427.12626910 XC Correction (3606.03453s) started
T01 << 1462355433.33959699 XC Correction (3612.24786s) stopped
T01 << 1462355433.34259009 Atomic (3619.71332s) stopped
T01 >> 1462355433.34269595 Communicate (2814.38100s) started
T01 << 1462355439.56128311 Communicate (2820.59959s) stopped
T01 << 1462355439.56130600 Hamiltonian (13591.94407s) stopped
T01 >> 1462355439.56137204 LCAO eigensolver (4894.84609s) started
T01 >> 1462355439.56138396 Potential matrix (157.71905s) started
T01 << 1462355439.82679296 Potential matrix (157.98446s) stopped
T01 >> 1462355439.82686090 DistributedAtomicCorrection (813.38014s) started
T01 << 1462355441.15803003 DistributedAtomicCorrection (814.71131s) stopped
T01 >> 1462355441.15808511 Distribute overlap matrix (711.25110s) started
T01 >> 1462355441.15810800 blocked summation (674.55400s) started
T01 << 1462355442.32465792 blocked summation (675.72055s) stopped
T01 >> 1462355442.32617497 Scalapack redistribute (35.72880s) started
T01 << 1462355442.38685203 Scalapack redistribute (35.78948s) stopped
T01 << 1462355442.38693094 Distribute overlap matrix (712.47995s) stopped
T01 >> 1462355442.38748789 Blacs Orbital Layouts (1680.30625s) started
T01 >> 1462355442.38891912 General diagonalize (1646.80929s) started
T01 << 1462355445.06807494 General diagonalize (1649.48844s) stopped
T01 >> 1462355445.06812501 Redistribute coefs (1.83690s) started
T01 << 1462355445.07175803 Redistribute coefs (1.84053s) stopped
T01 >> 1462355445.07180405 Send coefs to domains (30.71710s) started
T01 << 1462355445.12661695 Send coefs to domains (30.77192s) stopped
T01 << 1462355445.12703991 Blacs Orbital Layouts (1683.04580s) stopped
T01 >> 1462355445.12709093 Calculate projections (1531.67230s) started
T01 << 1462355447.58874893 Calculate projections (1534.13396s) stopped
T01 << 1462355447.58882809 LCAO eigensolver (4902.87355s) stopped
T01 >> 1462355447.58954501 Density (1204.00711s) started
T01 >> 1462355447.58955789 Pseudo density (996.61156s) started
T01 >> 1462355447.58996606 Calculate density matrix (895.89184s) started
T01 << 1462355449.22876501 Calculate density matrix (897.53064s) stopped
T01 >> 1462355449.22885203 Construct density (99.30372s) started
T01 << 1462355449.40959406 Construct density (99.48446s) stopped
T01 >> 1462355449.41102409 Symmetrize density (0.02519s) started
T01 << 1462355449.41105795 Symmetrize density (0.02522s) stopped
T01 << 1462355449.41151404 Pseudo density (998.43351s) stopped
T01 >> 1462355449.41153407 Atomic density matrices (137.60959s) started
T01 << 1462355449.65865803 Atomic density matrices (137.85671s) stopped
T01 >> 1462355449.65869808 Multipole moments (2.23669s) started
T01 << 1462355449.66280890 Multipole moments (2.24080s) stopped
T01 >> 1462355449.66283202 Normalize (0.61672s) started
T01 << 1462355449.66389608 Normalize (0.61779s) stopped
T01 >> 1462355449.66393089 Mix (66.89415s) started
T01 << 1462355449.77763009 Mix (67.00785s) stopped
T01 << 1462355449.77772188 Density (1206.19529s) stopped
T01 >> 1462355449.77781296 Hamiltonian (13591.94408s) started
T01 >> 1462355449.77783298 vbar (8.23288s) started
T01 << 1462355449.79130101 vbar (8.24635s) stopped
T01 >> 1462355449.79138494 XC 3D grid (5887.84978s) started
T01 >> 1462355449.95810294 van der Waals (5683.45624s) started
T01 >> 1462355450.00142193 semilocal (1277.85758s) started
T01 << 1462355452.17499709 semilocal (1280.03116s) stopped
T01 >> 1462355452.21126509 redistribute (617.60934s) started
T01 << 1462355452.63481688 redistribute (618.03289s) stopped
T01 >> 1462355452.63488507 libvdwxc nonlocal (3744.50424s) started
T01 << 1462355459.15771389 libvdwxc nonlocal (3751.02707s) stopped
T01 >> 1462355459.15778589 redistribute (618.03292s) started
T01 << 1462355459.80973601 redistribute (618.68488s) stopped
T01 << 1462355459.81102109 van der Waals (5693.30916s) stopped
T01 << 1462355459.99170303 XC 3D grid (5898.05010s) stopped
T01 >> 1462355459.99174809 Poisson (1196.67676s) started
T01 << 1462355462.35104609 Poisson (1199.03605s) stopped
T01 >> 1462355462.35114002 Hartree integrate/restrict (46.63450s) started
T01 << 1462355462.36813998 Hartree integrate/restrict (46.65150s) stopped
T01 >> 1462355462.36820793 Hartree integrate/restrict (46.65155s) started
T01 << 1462355462.43142509 Hartree integrate/restrict (46.71476s) stopped
T01 >> 1462355462.45471907 Atomic (3619.71334s) started
T01 >> 1462355462.46483707 XC Correction (3612.24788s) started
T01 << 1462355468.64906096 XC Correction (3618.43211s) stopped
T01 << 1462355468.65210009 Atomic (3625.91072s) stopped
T01 >> 1462355468.65219998 Communicate (2820.59960s) started
T01 << 1462355474.22218108 Communicate (2826.16958s) stopped
T01 << 1462355474.22220397 Hamiltonian (13616.38847s) stopped
T01 >> 1462355474.22227001 LCAO eigensolver (4902.87356s) started
T01 >> 1462355474.22228289 Potential matrix (157.98449s) started
T01 << 1462355474.48765898 Potential matrix (158.24987s) stopped
T01 >> 1462355474.48772693 DistributedAtomicCorrection (814.71134s) started
T01 << 1462355475.81705403 DistributedAtomicCorrection (816.04067s) stopped
T01 >> 1462355475.81710792 Distribute overlap matrix (712.47996s) started
T01 >> 1462355475.81713009 blocked summation (675.72059s) started
T01 << 1462355477.00206900 blocked summation (676.90553s) stopped
T01 >> 1462355477.00354409 Scalapack redistribute (35.78951s) started
T01 << 1462355477.06268811 Scalapack redistribute (35.84866s) stopped
T01 << 1462355477.06276798 Distribute overlap matrix (713.72562s) stopped
T01 >> 1462355477.06333089 Blacs Orbital Layouts (1683.04582s) started
T01 >> 1462355477.06480098 General diagonalize (1649.48848s) started
T01 << 1462355479.74096489 General diagonalize (1652.16464s) stopped
T01 >> 1462355479.74102902 Redistribute coefs (1.84057s) started
T01 << 1462355479.74401402 Redistribute coefs (1.84355s) stopped
T01 >> 1462355479.74406004 Send coefs to domains (30.77196s) started
T01 << 1462355479.79958391 Send coefs to domains (30.82748s) stopped
T01 << 1462355479.80002904 Blacs Orbital Layouts (1685.78252s) stopped
T01 >> 1462355479.80008292 Calculate projections (1534.13401s) started
T01 << 1462355482.26154494 Calculate projections (1536.59547s) stopped
T01 << 1462355482.26162505 LCAO eigensolver (4910.91292s) stopped
T01 >> 1462355482.26254892 Density (1206.19530s) started
T01 >> 1462355482.26256204 Pseudo density (998.43353s) started
T01 >> 1462355482.26296592 Calculate density matrix (897.53068s) started
T01 << 1462355483.90648389 Calculate density matrix (899.17420s) stopped
T01 >> 1462355483.90656900 Construct density (99.48449s) started
T01 << 1462355484.08744192 Construct density (99.66536s) stopped
T01 >> 1462355484.08903289 Symmetrize density (0.02523s) started
T01 << 1462355484.08906603 Symmetrize density (0.02526s) stopped
T01 << 1462355484.08951902 Pseudo density (1000.26048s) stopped
T01 >> 1462355484.08953905 Atomic density matrices (137.85674s) started
T01 << 1462355484.33697891 Atomic density matrices (138.10418s) stopped
T01 >> 1462355484.33702111 Multipole moments (2.24082s) started
T01 << 1462355484.34112811 Multipole moments (2.24492s) stopped
T01 >> 1462355484.34115100 Normalize (0.61781s) started
T01 << 1462355484.34219503 Normalize (0.61885s) stopped
T01 >> 1462355484.34223008 Mix (67.00793s) started
T01 << 1462355484.46070910 Mix (67.12641s) stopped
T01 << 1462355484.46081901 Density (1208.39357s) stopped
T01 >> 1462355484.46091604 Hamiltonian (13616.38848s) started
T01 >> 1462355484.46093607 vbar (8.24639s) started
T01 << 1462355484.47440410 vbar (8.25986s) stopped
T01 >> 1462355484.47446609 XC 3D grid (5898.05013s) started
T01 >> 1462355484.65315008 van der Waals (5693.30921s) started
T01 >> 1462355484.69517303 semilocal (1280.03128s) started
T01 << 1462355486.92723298 semilocal (1282.26334s) stopped
T01 >> 1462355486.95828295 redistribute (618.68492s) started
T01 << 1462355487.34199095 redistribute (619.06863s) stopped
T01 >> 1462355487.34206009 libvdwxc nonlocal (3751.02712s) started
T01 << 1462355493.86668396 libvdwxc nonlocal (3757.55174s) stopped
T01 >> 1462355493.86675406 redistribute (619.06867s) started
T01 << 1462355494.51554298 redistribute (619.71745s) stopped
T01 << 1462355494.51674509 van der Waals (5703.17280s) stopped
T01 << 1462355494.69531298 XC 3D grid (5908.27098s) stopped
T01 >> 1462355494.69538212 Poisson (1199.03612s) started
T01 << 1462355497.06204391 Poisson (1201.40279s) stopped
T01 >> 1462355497.06213498 Hartree integrate/restrict (46.71480s) started
T01 << 1462355497.07914400 Hartree integrate/restrict (46.73181s) stopped
T01 >> 1462355497.07923508 Hartree integrate/restrict (46.73187s) started
T01 << 1462355497.14229012 Hartree integrate/restrict (46.79493s) stopped
T01 >> 1462355497.16578698 Atomic (3625.91073s) started
T01 >> 1462355497.17592812 XC Correction (3618.43213s) started
T01 << 1462355503.37476397 XC Correction (3624.63096s) stopped
T01 << 1462355503.37777591 Atomic (3632.12272s) stopped
T01 >> 1462355503.37787604 Communicate (2826.16960s) started
T01 << 1462355508.61631203 Communicate (2831.40803s) stopped
T01 << 1462355508.61633492 Hamiltonian (13640.54390s) stopped
T01 >> 1462355508.61640096 LCAO eigensolver (4910.91293s) started
T01 >> 1462355508.61641407 Potential matrix (158.24990s) started
T01 << 1462355508.88294411 Potential matrix (158.51643s) stopped
T01 >> 1462355508.88300896 DistributedAtomicCorrection (816.04070s) started
T01 << 1462355510.21353698 DistributedAtomicCorrection (817.37123s) stopped
T01 >> 1462355510.21359205 Distribute overlap matrix (713.72563s) started
T01 >> 1462355510.21361399 blocked summation (676.90557s) started
T01 << 1462355511.36910105 blocked summation (678.06106s) stopped
T01 >> 1462355511.37059307 Scalapack redistribute (35.84869s) started
T01 << 1462355511.43251395 Scalapack redistribute (35.91061s) stopped
T01 << 1462355511.43259192 Distribute overlap matrix (714.94463s) stopped
T01 >> 1462355511.43316007 Blacs Orbital Layouts (1685.78253s) started
T01 >> 1462355511.43530512 General diagonalize (1652.16468s) started
T01 << 1462355514.07749295 General diagonalize (1654.80687s) stopped
T01 >> 1462355514.07755709 Redistribute coefs (1.84359s) started
T01 << 1462355514.08045292 Redistribute coefs (1.84649s) stopped
T01 >> 1462355514.08053899 Send coefs to domains (30.82753s) started
T01 << 1462355514.13718510 Send coefs to domains (30.88417s) stopped
T01 << 1462355514.13792491 Blacs Orbital Layouts (1688.48730s) stopped
T01 >> 1462355514.13797498 Calculate projections (1536.59553s) started
T01 << 1462355516.59942794 Calculate projections (1539.05698s) stopped
T01 << 1462355516.59970903 LCAO eigensolver (4918.89624s) stopped
T01 >> 1462355516.60042906 Density (1208.39360s) started
T01 >> 1462355516.60044193 Pseudo density (1000.26050s) started
T01 >> 1462355516.60084105 Calculate density matrix (899.17424s) started
T01 << 1462355518.24749708 Calculate density matrix (900.82089s) stopped
T01 >> 1462355518.24758601 Construct density (99.66539s) started
T01 << 1462355518.42823291 Construct density (99.84604s) stopped
T01 >> 1462355518.42965102 Symmetrize density (0.02528s) started
T01 << 1462355518.42968512 Symmetrize density (0.02531s) stopped
T01 << 1462355518.43013692 Pseudo density (1002.09019s) stopped
T01 >> 1462355518.43015599 Atomic density matrices (138.10421s) started
T01 << 1462355518.67715597 Atomic density matrices (138.35121s) stopped
T01 >> 1462355518.67719603 Multipole moments (2.24494s) started
T01 << 1462355518.68132591 Multipole moments (2.24907s) stopped
T01 >> 1462355518.68134904 Normalize (0.61888s) started
T01 << 1462355518.68238306 Normalize (0.61991s) stopped
T01 >> 1462355518.68241811 Mix (67.12652s) started
T01 << 1462355518.80328703 Mix (67.24739s) stopped
T01 << 1462355518.80337811 Density (1210.59654s) stopped
T01 >> 1462355518.80346799 Hamiltonian (13640.54392s) started
T01 >> 1462355518.80348706 vbar (8.25989s) started
T01 << 1462355518.81695008 vbar (8.27336s) stopped
T01 >> 1462355518.81701112 XC 3D grid (5908.27103s) started
T01 >> 1462355518.99307704 van der Waals (5703.17285s) started
T01 >> 1462355519.03661489 semilocal (1282.26340s) started
T01 << 1462355521.26232791 semilocal (1284.48912s) stopped
T01 >> 1462355521.29389310 redistribute (619.71750s) started
T01 << 1462355521.66818690 redistribute (620.09179s) stopped
T01 >> 1462355521.66825700 libvdwxc nonlocal (3757.55179s) started
T01 << 1462355528.21105909 libvdwxc nonlocal (3764.09459s) stopped
T01 >> 1462355528.21111894 redistribute (620.09183s) started
T01 << 1462355528.87103510 redistribute (620.75175s) stopped
T01 << 1462355528.87242603 van der Waals (5713.05220s) stopped
T01 << 1462355529.04948401 XC 3D grid (5918.50351s) stopped
T01 >> 1462355529.04953194 Poisson (1201.40285s) started
T01 << 1462355531.39902306 Poisson (1203.75234s) stopped
T01 >> 1462355531.39911008 Hartree integrate/restrict (46.79497s) started
T01 << 1462355531.41618299 Hartree integrate/restrict (46.81204s) stopped
T01 >> 1462355531.41623902 Hartree integrate/restrict (46.81208s) started
T01 << 1462355531.48006010 Hartree integrate/restrict (46.87590s) stopped
T01 >> 1462355531.50267196 Atomic (3632.12274s) started
T01 >> 1462355531.51290393 XC Correction (3624.63099s) started
T01 << 1462355537.72310591 XC Correction (3630.84119s) stopped
T01 << 1462355537.72614002 Atomic (3638.34621s) stopped
T01 >> 1462355537.72624207 Communicate (2831.40805s) started
T01 << 1462355542.88698196 Communicate (2836.56879s) stopped
T01 << 1462355542.88700509 Hamiltonian (13664.62745s) stopped
T01 >> 1462355542.88707089 LCAO eigensolver (4918.89625s) started
T01 >> 1462355542.88708401 Potential matrix (158.51647s) started
T01 << 1462355543.15382600 Potential matrix (158.78321s) stopped
T01 >> 1462355543.15389299 DistributedAtomicCorrection (817.37126s) started
T01 << 1462355544.49344802 DistributedAtomicCorrection (818.71082s) stopped
T01 >> 1462355544.49350190 Distribute overlap matrix (714.94464s) started
T01 >> 1462355544.49352407 blocked summation (678.06110s) started
T01 << 1462355545.63486695 blocked summation (679.20244s) stopped
T01 >> 1462355545.63655806 Scalapack redistribute (35.91065s) started
T01 << 1462355545.69652700 Scalapack redistribute (35.97062s) stopped
T01 << 1462355545.69660902 Distribute overlap matrix (716.14775s) stopped
T01 >> 1462355545.69719005 Blacs Orbital Layouts (1688.48732s) started
T01 >> 1462355545.69861102 General diagonalize (1654.80691s) started
T01 << 1462355548.33368206 General diagonalize (1657.44198s) stopped
T01 >> 1462355548.33374596 Redistribute coefs (1.84652s) started
T01 << 1462355548.33731604 Redistribute coefs (1.85009s) stopped
T01 >> 1462355548.33736300 Send coefs to domains (30.88421s) started
T01 << 1462355548.39263010 Send coefs to domains (30.93948s) stopped
T01 << 1462355548.39305091 Blacs Orbital Layouts (1691.18318s) stopped
T01 >> 1462355548.39311004 Calculate projections (1539.05703s) started
T01 << 1462355550.85461402 Calculate projections (1541.51854s) stopped
T01 << 1462355550.85489106 LCAO eigensolver (4926.86407s) stopped
T01 >> 1462355550.85561705 Density (1210.59656s) started
T01 >> 1462355550.85562897 Pseudo density (1002.09021s) started
T01 >> 1462355550.85602999 Calculate density matrix (900.82093s) started
T01 << 1462355552.50292206 Calculate density matrix (902.46782s) stopped
T01 >> 1462355552.50301290 Construct density (99.84606s) started
T01 << 1462355552.68372893 Construct density (100.02678s) stopped
T01 >> 1462355552.68603396 Symmetrize density (0.02532s) started
T01 << 1462355552.68606806 Symmetrize density (0.02535s) stopped
T01 << 1462355552.68652511 Pseudo density (1003.92110s) stopped
T01 >> 1462355552.68654490 Atomic density matrices (138.35124s) started
T01 << 1462355552.93165112 Atomic density matrices (138.59634s) stopped
T01 >> 1462355552.93169093 Multipole moments (2.24908s) started
T01 << 1462355552.93580103 Multipole moments (2.25319s) stopped
T01 >> 1462355552.93582392 Normalize (0.61994s) started
T01 << 1462355552.93687797 Normalize (0.62099s) stopped
T01 >> 1462355552.93694901 Mix (67.24747s) started
T01 << 1462355553.05784392 Mix (67.36837s) stopped
T01 << 1462355553.05793405 Density (1212.79888s) stopped
T01 >> 1462355553.05801892 Hamiltonian (13664.62747s) started
T01 >> 1462355553.05803704 vbar (8.27339s) started
T01 << 1462355553.07144499 vbar (8.28680s) stopped
T01 >> 1462355553.07151198 XC 3D grid (5918.50354s) started
T01 >> 1462355553.24148703 van der Waals (5713.05230s) started
T01 >> 1462355553.28425789 semilocal (1284.48920s) started
T01 << 1462355555.52533698 semilocal (1286.73028s) stopped
T01 >> 1462355555.55813503 redistribute (620.75183s) started
T01 << 1462355555.93636394 redistribute (621.13006s) stopped
T01 >> 1462355555.93643308 libvdwxc nonlocal (3764.09463s) started
T01 << 1462355562.47524500 libvdwxc nonlocal (3770.63344s) stopped
T01 >> 1462355562.47532296 redistribute (621.13010s) started
T01 << 1462355563.14004493 redistribute (621.79482s) stopped
T01 << 1462355563.14144111 van der Waals (5722.95225s) stopped
T01 << 1462355563.31272888 XC 3D grid (5928.74476s) stopped
T01 >> 1462355563.31277990 Poisson (1203.75241s) started
T01 << 1462355565.66866398 Poisson (1206.10829s) stopped
T01 >> 1462355565.66875005 Hartree integrate/restrict (46.87593s) started
T01 << 1462355565.68574691 Hartree integrate/restrict (46.89293s) stopped
T01 >> 1462355565.68579507 Hartree integrate/restrict (46.89296s) started
T01 << 1462355565.75496507 Hartree integrate/restrict (46.96213s) stopped
T01 >> 1462355565.77205610 Atomic (3638.34622s) started
T01 >> 1462355565.78242493 XC Correction (3630.84121s) started
T01 << 1462355572.01565194 XC Correction (3637.07444s) stopped
T01 << 1462355572.01869202 Atomic (3644.59286s) stopped
T01 >> 1462355572.01878905 Communicate (2836.56880s) started
T01 << 1462355577.20034409 Communicate (2841.75036s) stopped
T01 << 1462355577.20036697 Hamiltonian (13688.76981s) stopped
T01 >> 1462355577.20042992 LCAO eigensolver (4926.86409s) started
T01 >> 1462355577.20044303 Potential matrix (158.78324s) started
T01 << 1462355577.46808696 Potential matrix (159.05089s) stopped
T01 >> 1462355577.46815395 DistributedAtomicCorrection (818.71085s) started
T01 << 1462355578.80716205 DistributedAtomicCorrection (820.04986s) stopped
T01 >> 1462355578.80721593 Distribute overlap matrix (716.14776s) started
T01 >> 1462355578.80723691 blocked summation (679.20248s) started
T01 << 1462355579.95989990 blocked summation (680.35514s) stopped
T01 >> 1462355579.96162391 Scalapack redistribute (35.97065s) started
T01 << 1462355580.02258897 Scalapack redistribute (36.03162s) stopped
T01 << 1462355580.02267504 Distribute overlap matrix (717.36322s) stopped
T01 >> 1462355580.02325296 Blacs Orbital Layouts (1691.18320s) started
T01 >> 1462355580.02456188 General diagonalize (1657.44202s) started
T01 << 1462355582.66465497 General diagonalize (1660.08211s) stopped
T01 >> 1462355582.66471791 Redistribute coefs (1.85013s) started
T01 << 1462355582.66845703 Redistribute coefs (1.85387s) stopped
T01 >> 1462355582.66850591 Send coefs to domains (30.93952s) started
T01 << 1462355582.72371292 Send coefs to domains (30.99473s) stopped
T01 << 1462355582.72409701 Blacs Orbital Layouts (1693.88404s) stopped
T01 >> 1462355582.72414804 Calculate projections (1541.51859s) started
T01 << 1462355585.18581200 Calculate projections (1543.98026s) stopped
T01 << 1462355585.18608403 LCAO eigensolver (4934.84975s) stopped
T01 >> 1462355585.18680906 Density (1212.79890s) started
T01 >> 1462355585.18682194 Pseudo density (1003.92112s) started
T01 >> 1462355585.18721890 Calculate density matrix (902.46786s) started
T01 << 1462355586.83648396 Calculate density matrix (904.11713s) stopped
T01 >> 1462355586.83657408 Construct density (100.02681s) started
T01 << 1462355587.01713490 Construct density (100.20737s) stopped
T01 >> 1462355587.01855993 Symmetrize density (0.02537s) started
T01 << 1462355587.01859307 Symmetrize density (0.02540s) stopped
T01 << 1462355587.01905894 Pseudo density (1005.75336s) stopped
T01 >> 1462355587.01907897 Atomic density matrices (138.59637s) started
T01 << 1462355587.26806688 Atomic density matrices (138.84536s) stopped
T01 >> 1462355587.26810598 Multipole moments (2.25321s) started
T01 << 1462355587.27221894 Multipole moments (2.25732s) stopped
T01 >> 1462355587.27224207 Normalize (0.62105s) started
T01 << 1462355587.27327609 Normalize (0.62209s) stopped
T01 >> 1462355587.27331090 Mix (67.36845s) started
T01 << 1462355587.39504600 Mix (67.49019s) stopped
T01 << 1462355587.39516807 Density (1215.00726s) stopped
T01 >> 1462355587.39526105 Hamiltonian (13688.76983s) started
T01 >> 1462355587.39528108 vbar (8.28684s) started
T01 << 1462355587.40888405 vbar (8.30044s) stopped
T01 >> 1462355587.40894508 XC 3D grid (5928.74480s) started
T01 >> 1462355587.57662106 van der Waals (5722.95230s) started
T01 >> 1462355587.62112188 semilocal (1286.73035s) started
T01 << 1462355589.85449409 semilocal (1288.96372s) stopped
T01 >> 1462355589.88730311 redistribute (621.79487s) started
T01 << 1462355590.27242088 redistribute (622.17999s) stopped
T01 >> 1462355590.27248907 libvdwxc nonlocal (3770.63350s) started
T01 << 1462355596.82132196 libvdwxc nonlocal (3777.18233s) stopped
T01 >> 1462355596.82137990 redistribute (622.18002s) started
T01 << 1462355597.47604895 redistribute (622.83469s) stopped
T01 << 1462355597.47742391 van der Waals (5732.85310s) stopped
T01 << 1462355597.65794110 XC 3D grid (5938.99379s) stopped
T01 >> 1462355597.65798593 Poisson (1206.10836s) started
T01 << 1462355599.42824006 Poisson (1207.87861s) stopped
T01 >> 1462355599.42836094 Hartree integrate/restrict (46.96218s) started
T01 << 1462355599.44542003 Hartree integrate/restrict (46.97924s) stopped
T01 >> 1462355599.44553494 Hartree integrate/restrict (46.97932s) started
T01 << 1462355599.51378894 Hartree integrate/restrict (47.04757s) stopped
T01 >> 1462355599.53098106 Atomic (3644.59288s) started
T01 >> 1462355599.54125309 XC Correction (3637.07446s) started
T01 << 1462355605.77530003 XC Correction (3643.30851s) stopped
T01 << 1462355605.77835011 Atomic (3650.84025s) stopped
T01 >> 1462355605.77844906 Communicate (2841.75037s) started
T01 << 1462355610.96500993 Communicate (2846.93694s) stopped
T01 << 1462355610.96503592 Hamiltonian (13712.33960s) stopped
T01 >> 1462355610.96510291 LCAO eigensolver (4934.84977s) started
T01 >> 1462355610.96511602 Potential matrix (159.05092s) started
T01 << 1462355611.23246598 Potential matrix (159.31827s) stopped
T01 >> 1462355611.23253202 DistributedAtomicCorrection (820.04989s) started
T01 << 1462355612.57448101 DistributedAtomicCorrection (821.39184s) stopped
T01 >> 1462355612.57453394 Distribute overlap matrix (717.36323s) started
T01 >> 1462355612.57455611 blocked summation (680.35518s) started
T01 << 1462355613.71593094 blocked summation (681.49656s) stopped
T01 >> 1462355613.71759892 Scalapack redistribute (36.03166s) started
T01 << 1462355613.77860689 Scalapack redistribute (36.09266s) stopped
T01 << 1462355613.77869296 Distribute overlap matrix (718.56739s) stopped
T01 >> 1462355613.77927208 Blacs Orbital Layouts (1693.88406s) started
T01 >> 1462355613.78070498 General diagonalize (1660.08215s) started
T01 << 1462355616.45718598 General diagonalize (1662.75863s) stopped
T01 >> 1462355616.45724893 Redistribute coefs (1.85391s) started
T01 << 1462355616.46092606 Redistribute coefs (1.85758s) stopped
T01 >> 1462355616.46097302 Send coefs to domains (30.99477s) started
T01 << 1462355616.51762891 Send coefs to domains (31.05143s) stopped
T01 << 1462355616.51809096 Blacs Orbital Layouts (1696.62288s) stopped
T01 >> 1462355616.51814508 Calculate projections (1543.98031s) started
T01 << 1462355618.97983408 Calculate projections (1546.44200s) stopped
T01 << 1462355618.98010993 LCAO eigensolver (4942.86477s) stopped
T01 >> 1462355618.98082304 Density (1215.00728s) started
T01 >> 1462355618.98083591 Pseudo density (1005.75337s) started
T01 >> 1462355618.98123097 Calculate density matrix (904.11717s) started
T01 << 1462355620.63213491 Calculate density matrix (905.76807s) stopped
T01 >> 1462355620.63222289 Construct density (100.20739s) started
T01 << 1462355620.81285691 Construct density (100.38803s) stopped
T01 >> 1462355620.81429195 Symmetrize density (0.02541s) started
T01 << 1462355620.81432605 Symmetrize density (0.02544s) stopped
T01 << 1462355620.81479001 Pseudo density (1007.58733s) stopped
T01 >> 1462355620.81481004 Atomic density matrices (138.84539s) started
T01 << 1462355621.06170106 Atomic density matrices (139.09228s) stopped
T01 >> 1462355621.06173992 Multipole moments (2.25734s) started
T01 << 1462355621.06586909 Multipole moments (2.26147s) stopped
T01 >> 1462355621.06589198 Normalize (0.62211s) started
T01 << 1462355621.06695104 Normalize (0.62317s) stopped
T01 >> 1462355621.06698489 Mix (67.49030s) started
T01 << 1462355621.18914199 Mix (67.61246s) stopped
T01 << 1462355621.18923211 Density (1217.21569s) stopped
T01 >> 1462355621.18932199 Hamiltonian (13712.33962s) started
T01 >> 1462355621.18934107 vbar (8.30047s) started
T01 << 1462355621.20286012 vbar (8.31399s) stopped
T01 >> 1462355621.20292211 XC 3D grid (5938.99383s) started
T01 >> 1462355621.37745500 van der Waals (5732.85317s) started
T01 >> 1462355621.42123294 semilocal (1288.96381s) started
T01 << 1462355623.65040898 semilocal (1291.19298s) stopped
T01 >> 1462355623.68275499 redistribute (622.83474s) started
T01 << 1462355624.06247401 redistribute (623.21445s) stopped
T01 >> 1462355624.06254196 libvdwxc nonlocal (3777.18237s) started
T01 << 1462355630.61592102 libvdwxc nonlocal (3783.73575s) stopped
T01 >> 1462355630.61599898 redistribute (623.21449s) started
T01 << 1462355631.27554297 redistribute (623.87404s) stopped
T01 << 1462355631.27683711 van der Waals (5742.75255s) stopped
T01 << 1462355631.45585895 XC 3D grid (5949.24677s) stopped
T01 >> 1462355631.45591998 Poisson (1207.87870s) started
T01 << 1462355633.23342299 Poisson (1209.65621s) stopped
T01 >> 1462355633.23352599 Hartree integrate/restrict (47.04761s) started
T01 << 1462355633.25058007 Hartree integrate/restrict (47.06466s) stopped
T01 >> 1462355633.25066900 Hartree integrate/restrict (47.06472s) started
T01 << 1462355633.31907105 Hartree integrate/restrict (47.13313s) stopped
T01 >> 1462355633.33710098 Atomic (3650.84026s) started
T01 >> 1462355633.34738588 XC Correction (3643.30853s) started
T01 << 1462355639.64558792 XC Correction (3649.60674s) stopped
T01 << 1462355639.64861298 Atomic (3657.15178s) stopped
T01 >> 1462355639.64871693 Communicate (2846.93695s) started
T01 << 1462355644.80286193 Communicate (2852.09110s) stopped
T01 << 1462355644.80288506 Hamiltonian (13735.95318s) stopped
T01 >> 1462355644.80294991 LCAO eigensolver (4942.86479s) started
T01 >> 1462355644.80296302 Potential matrix (159.31830s) started
T01 << 1462355645.06926203 Potential matrix (159.58460s) stopped
T01 >> 1462355645.06933188 DistributedAtomicCorrection (821.39188s) started
T01 << 1462355646.41499996 DistributedAtomicCorrection (822.73754s) stopped
T01 >> 1462355646.41505289 Distribute overlap matrix (718.56740s) started
T01 >> 1462355646.41507506 blocked summation (681.49660s) started
T01 << 1462355647.56944299 blocked summation (682.65096s) stopped
T01 >> 1462355647.57113004 Scalapack redistribute (36.09270s) started
T01 << 1462355647.63136101 Scalapack redistribute (36.15293s) stopped
T01 << 1462355647.63144398 Distribute overlap matrix (719.78379s) stopped
T01 >> 1462355647.63201499 Blacs Orbital Layouts (1696.62290s) started
T01 >> 1462355647.63345098 General diagonalize (1662.75867s) started
T01 << 1462355650.26060295 General diagonalize (1665.38582s) stopped
T01 >> 1462355650.26066899 Redistribute coefs (1.85762s) started
T01 << 1462355650.26431108 Redistribute coefs (1.86126s) stopped
T01 >> 1462355650.26435804 Send coefs to domains (31.05147s) started
T01 << 1462355650.31877089 Send coefs to domains (31.10589s) stopped
T01 << 1462355650.31919098 Blacs Orbital Layouts (1699.31007s) stopped
T01 >> 1462355650.31924605 Calculate projections (1546.44205s) started
T01 << 1462355652.78072906 Calculate projections (1548.90353s) stopped
T01 << 1462355652.78100801 LCAO eigensolver (4950.84285s) stopped
T01 >> 1462355652.78172588 Density (1217.21570s) started
T01 >> 1462355652.78173995 Pseudo density (1007.58734s) started
T01 >> 1462355652.78213501 Calculate density matrix (905.76812s) started
T01 << 1462355654.42818809 Calculate density matrix (907.41417s) stopped
T01 >> 1462355654.42827606 Construct density (100.38809s) started
T01 << 1462355654.60888910 Construct density (100.56870s) stopped
T01 >> 1462355654.61031508 Symmetrize density (0.02546s) started
T01 << 1462355654.61034894 Symmetrize density (0.02549s) stopped
T01 << 1462355654.61081290 Pseudo density (1009.41641s) stopped
T01 >> 1462355654.61083293 Atomic density matrices (139.09231s) started
T01 << 1462355654.85727811 Atomic density matrices (139.33875s) stopped
T01 >> 1462355654.85731697 Multipole moments (2.26148s) started
T01 << 1462355654.86143899 Multipole moments (2.26560s) stopped
T01 >> 1462355654.86145997 Normalize (0.62319s) started
T01 << 1462355654.86250710 Normalize (0.62424s) stopped
T01 >> 1462355654.86254191 Mix (67.61255s) started
T01 << 1462355654.98498297 Mix (67.73499s) stopped
T01 << 1462355654.98507094 Density (1219.41905s) stopped
T01 >> 1462355654.98516512 Hamiltonian (13735.95319s) started
T01 >> 1462355654.98518491 vbar (8.31403s) started
T01 << 1462355654.99862504 vbar (8.32747s) stopped
T01 >> 1462355654.99868989 XC 3D grid (5949.24681s) started
T01 >> 1462355655.16585112 van der Waals (5742.75260s) started
T01 >> 1462355655.20989704 semilocal (1291.19305s) started
T01 << 1462355657.41836095 semilocal (1293.40151s) stopped
T01 >> 1462355657.45026803 redistribute (623.87408s) started
T01 << 1462355657.84009790 redistribute (624.26391s) stopped
T01 >> 1462355657.84016705 libvdwxc nonlocal (3783.73580s) started
T01 << 1462355664.35139298 libvdwxc nonlocal (3790.24702s) stopped
T01 >> 1462355664.35145211 redistribute (624.26395s) started
T01 << 1462355665.00630593 redistribute (624.91880s) stopped
T01 << 1462355665.00754499 van der Waals (5752.59430s) stopped
T01 << 1462355665.18735909 XC 3D grid (5959.43548s) stopped
T01 >> 1462355665.18740511 Poisson (1209.65629s) started
T01 << 1462355666.95831394 Poisson (1211.42719s) stopped
T01 >> 1462355666.95839500 Hartree integrate/restrict (47.13316s) started
T01 << 1462355666.97540092 Hartree integrate/restrict (47.15017s) stopped
T01 >> 1462355666.97544694 Hartree integrate/restrict (47.15020s) started
T01 << 1462355667.04317808 Hartree integrate/restrict (47.21793s) stopped
T01 >> 1462355667.06142402 Atomic (3657.15179s) started
T01 >> 1462355667.07173109 XC Correction (3649.60676s) started
T01 << 1462355673.32218599 XC Correction (3655.85722s) stopped
T01 << 1462355673.32524300 Atomic (3663.41561s) stopped
T01 >> 1462355673.32534409 Communicate (2852.09111s) started
T01 << 1462355678.48314691 Communicate (2857.24892s) stopped
T01 << 1462355678.48317003 Hamiltonian (13759.45120s) stopped
T01 >> 1462355678.48323488 LCAO eigensolver (4950.84287s) started
T01 >> 1462355678.48324800 Potential matrix (159.58464s) started
T01 << 1462355678.74863791 Potential matrix (159.85003s) stopped
T01 >> 1462355678.74870706 DistributedAtomicCorrection (822.73757s) started
T01 << 1462355680.09526205 DistributedAtomicCorrection (824.08413s) stopped
T01 >> 1462355680.09531593 Distribute overlap matrix (719.78381s) started
T01 >> 1462355680.09533811 blocked summation (682.65101s) started
T01 << 1462355681.26214695 blocked summation (683.81782s) stopped
T01 >> 1462355681.26390505 Scalapack redistribute (36.15297s) started
T01 << 1462355681.32431507 Scalapack redistribute (36.21338s) stopped
T01 << 1462355681.32439804 Distribute overlap matrix (721.01289s) stopped
T01 >> 1462355681.32497692 Blacs Orbital Layouts (1699.31009s) started
T01 >> 1462355681.32628202 General diagonalize (1665.38586s) started
T01 << 1462355683.96898699 General diagonalize (1668.02857s) stopped
T01 >> 1462355683.96904802 Redistribute coefs (1.86130s) started
T01 << 1462355683.97259402 Redistribute coefs (1.86485s) stopped
T01 >> 1462355683.97264099 Send coefs to domains (31.10593s) started
T01 << 1462355684.02878809 Send coefs to domains (31.16208s) stopped
T01 << 1462355684.02919602 Blacs Orbital Layouts (1702.01431s) stopped
T01 >> 1462355684.02930593 Calculate projections (1548.90359s) started
T01 << 1462355686.49085307 Calculate projections (1551.36514s) stopped
T01 << 1462355686.49113607 LCAO eigensolver (4958.85077s) stopped
T01 >> 1462355686.49185991 Density (1219.41906s) started
T01 >> 1462355686.49187303 Pseudo density (1009.41643s) started
T01 >> 1462355686.49226689 Calculate density matrix (907.41421s) started
T01 << 1462355688.13995004 Calculate density matrix (909.06190s) stopped
T01 >> 1462355688.14004111 Construct density (100.56873s) started
T01 << 1462355688.32060790 Construct density (100.74930s) stopped
T01 >> 1462355688.32204103 Symmetrize density (0.02550s) started
T01 << 1462355688.32207489 Symmetrize density (0.02554s) stopped
T01 << 1462355688.32253098 Pseudo density (1011.24709s) stopped
T01 >> 1462355688.32255101 Atomic density matrices (139.33878s) started
T01 << 1462355688.56901097 Atomic density matrices (139.58524s) stopped
T01 >> 1462355688.56905103 Multipole moments (2.26562s) started
T01 << 1462355688.57317305 Multipole moments (2.26974s) stopped
T01 >> 1462355688.57319498 Normalize (0.62426s) started
T01 << 1462355688.57423997 Normalize (0.62531s) stopped
T01 >> 1462355688.57427406 Mix (67.73507s) started
T01 << 1462355688.69618106 Mix (67.85698s) stopped
T01 << 1462355688.69629598 Density (1221.62350s) stopped
T01 >> 1462355688.69639802 Hamiltonian (13759.45121s) started
T01 >> 1462355688.69641900 vbar (8.32751s) started
T01 << 1462355688.70976090 vbar (8.34085s) stopped
T01 >> 1462355688.70982194 XC 3D grid (5959.43552s) started
T01 >> 1462355688.88638496 van der Waals (5752.59435s) started
T01 >> 1462355688.92883492 semilocal (1293.40162s) started
T01 << 1462355691.16270399 semilocal (1295.63549s) stopped
T01 >> 1462355691.19408107 redistribute (624.91885s) started
T01 << 1462355691.57664704 redistribute (625.30141s) stopped
T01 >> 1462355691.57671499 libvdwxc nonlocal (3790.24706s) started
T01 << 1462355698.15032196 libvdwxc nonlocal (3796.82067s) stopped
T01 >> 1462355698.15039492 redistribute (625.30145s) started
T01 << 1462355698.80301499 redistribute (625.95407s) stopped
T01 << 1462355698.80427694 van der Waals (5762.51225s) stopped
T01 << 1462355698.98518395 XC 3D grid (5969.71088s) stopped
T01 >> 1462355698.98523211 Poisson (1211.42725s) started
T01 << 1462355700.18607402 Poisson (1212.62810s) stopped
T01 >> 1462355700.18616104 Hartree integrate/restrict (47.21796s) started
T01 << 1462355700.20308399 Hartree integrate/restrict (47.23488s) stopped
T01 >> 1462355700.20313501 Hartree integrate/restrict (47.23492s) started
T01 << 1462355700.27136397 Hartree integrate/restrict (47.30315s) stopped
T01 >> 1462355700.28965497 Atomic (3663.41563s) started
T01 >> 1462355700.29995608 XC Correction (3655.85724s) started
T01 << 1462355706.57949805 XC Correction (3662.13678s) stopped
T01 << 1462355706.58256197 Atomic (3669.70853s) stopped
T01 >> 1462355706.58266306 Communicate (2857.24893s) started
T01 << 1462355711.71685195 Communicate (2862.38312s) stopped
T01 << 1462355711.71687508 Hamiltonian (13782.47169s) stopped
T01 >> 1462355711.71694112 LCAO eigensolver (4958.85079s) started
T01 >> 1462355711.71695304 Potential matrix (159.85006s) started
T01 << 1462355711.98246694 Potential matrix (160.11557s) stopped
T01 >> 1462355711.98253298 DistributedAtomicCorrection (824.08416s) started
T01 << 1462355713.34758902 DistributedAtomicCorrection (825.44922s) stopped
T01 >> 1462355713.34765100 Distribute overlap matrix (721.01290s) started
T01 >> 1462355713.34767509 blocked summation (683.81785s) started
T01 << 1462355714.49220490 blocked summation (684.96238s) stopped
T01 >> 1462355714.49388194 Scalapack redistribute (36.21341s) started
T01 << 1462355714.55082202 Scalapack redistribute (36.27035s) stopped
T01 << 1462355714.55089998 Distribute overlap matrix (722.21615s) stopped
T01 >> 1462355714.55147600 Blacs Orbital Layouts (1702.01438s) started
T01 >> 1462355714.55291891 General diagonalize (1668.02861s) started
T01 << 1462355717.26611900 General diagonalize (1670.74181s) stopped
T01 >> 1462355717.26618099 Redistribute coefs (1.86488s) started
T01 << 1462355717.26886296 Redistribute coefs (1.86757s) stopped
T01 >> 1462355717.26894999 Send coefs to domains (31.16212s) started
T01 << 1462355717.32577395 Send coefs to domains (31.21894s) stopped
T01 << 1462355717.32620597 Blacs Orbital Layouts (1704.78911s) stopped
T01 >> 1462355717.32626295 Calculate projections (1551.36519s) started
T01 << 1462355719.78780508 Calculate projections (1553.82674s) stopped
T01 << 1462355719.78808188 LCAO eigensolver (4966.92193s) stopped
T01 << 1462355719.78879094 SCF-cycle (19971.53191s) stopped
T01 >> 1462355720.73142099 Force calculation (1113.49002s) started
T01 >> 1462355720.73148298 LCAO forces (690.48169s) started
T01 >> 1462355720.73184705 Initial (0.00082s) started
T01 << 1462355720.73185802 Initial (0.00083s) stopped
T01 >> 1462355720.73616600 Get density matrix (134.78037s) started
T01 << 1462355721.33649206 Get density matrix (135.38070s) stopped
T01 >> 1462355721.33655810 Potential (49.50793s) started
T01 << 1462355722.76073909 Potential (50.93212s) stopped
T01 >> 1462355722.76079106 Get density matrix (135.38073s) started
T01 << 1462355726.00738096 Get density matrix (138.62732s) stopped
T01 >> 1462355726.00751400 Prepare TCI loop (68.04261s) started
T01 >> 1462355726.00800896 Get neighbors (63.03831s) started
T01 << 1462355727.81780601 Get neighbors (64.84811s) stopped
T01 >> 1462355727.81802392 broadcast dH (4.97904s) started
T01 << 1462355727.82809210 broadcast dH (4.98911s) stopped
T01 << 1462355727.82813597 Prepare TCI loop (69.86323s) stopped
T01 >> 1462355727.82815409 Not so complicated loop (97.27192s) started
T01 << 1462355730.53907394 Not so complicated loop (99.98284s) stopped
T01 >> 1462355730.66549993 Complicated loop (335.97320s) started
T01 << 1462355740.30539489 Complicated loop (345.61309s) stopped
T01 >> 1462355740.31901693 Wait for sum (0.00201s) started
T01 << 1462355740.31906104 Wait for sum (0.00205s) stopped
T01 << 1462355740.31907392 LCAO forces (710.06928s) stopped
T01 << 1462355752.35258889 Force calculation (1145.11119s) stopped
T01 >> 1462355752.37029004 Initialization (1851.77708s) started
T01 << 1462355752.37048697 Initialization (1851.77728s) stopped
T01 >> 1462355752.37078190 Initialization (1851.77730s) started
T01 << 1462355752.37091804 Initialization (1851.77743s) stopped
T01 >> 1462355752.37105489 Initialization (1851.77745s) started
T01 << 1462355752.37119198 Initialization (1851.77758s) stopped
T01 >> 1462355772.83498096 Initialization (1851.77760s) started
T01 >> 1462355772.83660102 Basic WFS set positions (3.57013s) started
T01 >> 1462355772.83662295 Redistribute (0.06828s) started
T01 << 1462355772.83676100 Redistribute (0.06841s) stopped
T01 << 1462355772.93154097 Basic WFS set positions (3.66507s) stopped
T01 >> 1462355772.93157291 Basis functions set positions (15.28219s) started
T01 << 1462355773.35220289 Basis functions set positions (15.70282s) stopped
T01 >> 1462355773.35357809 TCI: Calculate S, T, P (554.76658s) started
T01 << 1462355788.64401007 TCI: Calculate S, T, P (570.05701s) stopped
T01 >> 1462355788.64408398 blocked summation (146.89029s) started
T01 << 1462355792.63920498 blocked summation (150.88541s) stopped
T01 >> 1462355792.64091206 Scalapack redistribute (8.78720s) started
T01 << 1462355792.69903994 Scalapack redistribute (8.84533s) stopped
T01 >> 1462355792.69942808 blocked summation (150.88546s) started
T01 << 1462355792.88939095 blocked summation (151.07542s) stopped
T01 >> 1462355792.89106894 Scalapack redistribute (8.84539s) started
T01 << 1462355793.08621502 Scalapack redistribute (9.04054s) stopped
T01 >> 1462355793.08756089 Redistribute (0.07363s) started
T01 << 1462355793.08850908 Redistribute (0.07458s) stopped
T01 >> 1462355794.00826812 Redistribute (0.07460s) started
T01 << 1462355794.00925207 Redistribute (0.07558s) stopped
T01 >> 1462355794.01844192 LCAO WFS Initialize (1083.62539s) started
T01 >> 1462355794.01847291 Density initialize from wavefunctions (43.79501s) started
T01 >> 1462355794.01888299 Calculate density matrix (25.37128s) started
T01 << 1462355794.74723101 Calculate density matrix (26.09963s) stopped
T01 >> 1462355794.74729705 Construct density (6.26850s) started
T01 << 1462355794.92868805 Construct density (6.44989s) stopped
T01 >> 1462355794.93025208 Symmetrize density (0.00156s) started
T01 << 1462355794.93028402 Symmetrize density (0.00159s) stopped
T01 << 1462355795.27618504 Density initialize from wavefunctions (45.05272s) stopped
T01 >> 1462355795.27678394 Hamiltonian (1039.61441s) started
T01 >> 1462355795.27682495 vbar (0.54570s) started
T01 << 1462355795.29035902 vbar (0.55924s) stopped
T01 >> 1462355795.29047704 XC 3D grid (380.19567s) started
T01 >> 1462355795.46594000 van der Waals (367.01296s) started
T01 >> 1462355795.50731993 semilocal (81.99324s) started
T01 << 1462355797.72550988 semilocal (84.21143s) stopped
T01 >> 1462355797.75684500 redistribute (39.48635s) started
T01 << 1462355798.14191699 redistribute (39.87142s) stopped
T01 >> 1462355798.14198589 libvdwxc nonlocal (242.72072s) started
T01 << 1462355804.71029902 libvdwxc nonlocal (249.28903s) stopped
T01 >> 1462355804.71038389 redistribute (39.87146s) started
T01 << 1462355805.35926390 redistribute (40.52034s) stopped
T01 << 1462355805.36034203 van der Waals (376.90736s) stopped
T01 << 1462355805.54098797 XC 3D grid (390.44618s) stopped
T01 >> 1462355805.54103303 Poisson (174.85990s) started
T01 << 1462355810.16839290 Poisson (179.48726s) stopped
T01 >> 1462355810.16846108 Hartree integrate/restrict (2.97692s) started
T01 << 1462355810.18557000 Hartree integrate/restrict (2.99403s) stopped
T01 >> 1462355810.18562889 Hartree integrate/restrict (2.99406s) started
T01 << 1462355810.25297499 Hartree integrate/restrict (3.06141s) stopped
T01 >> 1462355810.27303696 Atomic (245.54792s) started
T01 >> 1462355810.28314710 XC Correction (245.05482s) started
T01 << 1462355816.65710807 XC Correction (251.42878s) stopped
T01 << 1462355816.66019106 Atomic (251.93507s) stopped
T01 >> 1462355816.66040397 Communicate (234.68398s) started
T01 << 1462355823.54617000 Communicate (241.56975s) stopped
T01 << 1462355823.54619503 Hamiltonian (1067.88382s) stopped
T01 << 1462355823.54624605 LCAO WFS Initialize (1113.15320s) stopped
T01 << 1462355823.55837011 Initialization (1902.50099s) stopped
T01 >> 1462355823.58322310 SCF-cycle (19971.53193s) started
T01 >> 1462355823.58326197 LCAO eigensolver (4966.92195s) started
T01 >> 1462355823.58327389 Potential matrix (160.11561s) started
T01 << 1462355823.85250092 Potential matrix (160.38483s) stopped
T01 >> 1462355823.85258508 DistributedAtomicCorrection (825.44926s) started
T01 << 1462355825.19468904 DistributedAtomicCorrection (826.79136s) stopped
T01 >> 1462355825.19474292 Distribute overlap matrix (722.21616s) started
T01 >> 1462355825.19476509 blocked summation (684.96243s) started
T01 << 1462355826.33636594 blocked summation (686.10403s) stopped
T01 >> 1462355826.33777189 Scalapack redistribute (36.27039s) started
T01 << 1462355826.39566994 Scalapack redistribute (36.32829s) stopped
T01 << 1462355826.39575410 Distribute overlap matrix (723.41717s) stopped
T01 >> 1462355826.39631605 Blacs Orbital Layouts (1704.78913s) started
T01 >> 1462355826.39733601 General diagonalize (1670.74184s) started
T01 << 1462355829.09239507 General diagonalize (1673.43690s) stopped
T01 >> 1462355829.09244490 Redistribute coefs (1.86760s) started
T01 << 1462355829.09526300 Redistribute coefs (1.87042s) stopped
T01 >> 1462355829.09530592 Send coefs to domains (31.21898s) started
T01 << 1462355829.15166903 Send coefs to domains (31.27535s) stopped
T01 << 1462355829.15172291 Blacs Orbital Layouts (1707.54454s) stopped
T01 >> 1462355829.15175295 Calculate projections (1553.82679s) started
T01 << 1462355831.61328411 Calculate projections (1556.28832s) stopped
T01 << 1462355831.61336994 LCAO eigensolver (4974.95206s) stopped
T01 >> 1462355831.61403298 Density (1221.62352s) started
T01 >> 1462355831.61404610 Pseudo density (1011.24710s) started
T01 >> 1462355831.61449504 Calculate density matrix (909.06194s) started
T01 << 1462355833.23546910 Calculate density matrix (910.68291s) stopped
T01 >> 1462355833.23553610 Construct density (100.74932s) started
T01 << 1462355833.41691995 Construct density (100.93071s) stopped
T01 >> 1462355833.41830492 Symmetrize density (0.02555s) started
T01 << 1462355833.41833901 Symmetrize density (0.02558s) stopped
T01 << 1462355833.41879296 Pseudo density (1013.05185s) stopped
T01 >> 1462355833.41881299 Atomic density matrices (139.58527s) started
T01 << 1462355833.66811299 Atomic density matrices (139.83457s) stopped
T01 >> 1462355833.66815495 Multipole moments (2.26976s) started
T01 << 1462355833.67228603 Multipole moments (2.27389s) stopped
T01 >> 1462355833.67230797 Normalize (0.62533s) started
T01 << 1462355833.67335892 Normalize (0.62638s) stopped
T01 >> 1462355833.67339396 Mix (67.85709s) started
T01 << 1462355833.78105307 Mix (67.96475s) stopped
T01 << 1462355833.78115392 Density (1223.79064s) stopped
T01 >> 1462355833.78125596 Hamiltonian (13782.47170s) started
T01 >> 1462355833.78127408 vbar (8.34088s) started
T01 << 1462355833.79449201 vbar (8.35410s) stopped
T01 >> 1462355833.79455304 XC 3D grid (5969.71091s) started
T01 >> 1462355833.96839499 van der Waals (5762.51229s) started
T01 >> 1462355834.01093006 semilocal (1295.63558s) started
T01 << 1462355836.23830700 semilocal (1297.86296s) stopped
T01 >> 1462355836.26898694 redistribute (625.95411s) started
T01 << 1462355836.64681196 redistribute (626.33194s) stopped
T01 >> 1462355836.64687705 libvdwxc nonlocal (3796.82072s) started
T01 << 1462355843.19909406 libvdwxc nonlocal (3803.37294s) stopped
T01 >> 1462355843.19916201 redistribute (626.33198s) started
T01 << 1462355843.85267997 redistribute (626.98549s) stopped
T01 << 1462355843.85396504 van der Waals (5772.39786s) stopped
T01 << 1462355844.03417993 XC 3D grid (5979.95054s) stopped
T01 >> 1462355844.03423810 Poisson (1212.62816s) started
T01 << 1462355846.36641788 Poisson (1214.96034s) stopped
T01 >> 1462355846.36650205 Hartree integrate/restrict (47.30318s) started
T01 << 1462355846.38342595 Hartree integrate/restrict (47.32011s) stopped
T01 >> 1462355846.38350701 Hartree integrate/restrict (47.32016s) started
T01 << 1462355846.44655895 Hartree integrate/restrict (47.38322s) stopped
T01 >> 1462355846.46921706 Atomic (3669.70855s) started
T01 >> 1462355846.47901392 XC Correction (3662.13681s) started
T01 << 1462355852.86606598 XC Correction (3668.52386s) stopped
T01 << 1462355852.86905694 Atomic (3676.10839s) stopped
T01 >> 1462355852.86916089 Communicate (2862.38314s) started
T01 << 1462355859.59289694 Communicate (2869.10687s) stopped
T01 << 1462355859.59292006 Hamiltonian (13808.28337s) stopped
T01 >> 1462355859.59298706 LCAO eigensolver (4974.95207s) started
T01 >> 1462355859.59299898 Potential matrix (160.38488s) started
T01 << 1462355859.86141205 Potential matrix (160.65330s) stopped
T01 >> 1462355859.86148095 DistributedAtomicCorrection (826.79139s) started
T01 << 1462355861.20230603 DistributedAtomicCorrection (828.13222s) stopped
T01 >> 1462355861.20235896 Distribute overlap matrix (723.41718s) started
T01 >> 1462355861.20238090 blocked summation (686.10407s) started
T01 << 1462355862.37552595 blocked summation (687.27721s) stopped
T01 >> 1462355862.37693191 Scalapack redistribute (36.32832s) started
T01 << 1462355862.42836809 Scalapack redistribute (36.37976s) stopped
T01 << 1462355862.42845106 Distribute overlap matrix (724.64328s) stopped
T01 >> 1462355862.42928600 Blacs Orbital Layouts (1707.54455s) started
T01 >> 1462355862.43066502 General diagonalize (1673.43694s) started
T01 << 1462355865.09683204 General diagonalize (1676.10311s) stopped
T01 >> 1462355865.09688306 Redistribute coefs (1.87045s) started
T01 << 1462355865.09975791 Redistribute coefs (1.87333s) stopped
T01 >> 1462355865.09980202 Send coefs to domains (31.27539s) started
T01 << 1462355865.15642810 Send coefs to domains (31.33201s) stopped
T01 << 1462355865.15648103 Blacs Orbital Layouts (1710.27174s) stopped
T01 >> 1462355865.15653491 Calculate projections (1556.28838s) started
T01 << 1462355867.61803508 Calculate projections (1558.74988s) stopped
T01 << 1462355867.61815810 LCAO eigensolver (4982.97724s) stopped
T01 >> 1462355867.61881304 Density (1223.79066s) started
T01 >> 1462355867.61882591 Pseudo density (1013.05186s) started
T01 >> 1462355867.61927509 Calculate density matrix (910.68296s) started
T01 << 1462355869.23819399 Calculate density matrix (912.30187s) stopped
T01 >> 1462355869.23826694 Construct density (100.93073s) started
T01 << 1462355869.41918111 Construct density (101.11165s) stopped
T01 >> 1462355869.42055511 Symmetrize density (0.02559s) started
T01 << 1462355869.42058897 Symmetrize density (0.02563s) stopped
T01 << 1462355869.42103791 Pseudo density (1014.85408s) stopped
T01 >> 1462355869.42105794 Atomic density matrices (139.83459s) started
T01 << 1462355869.67123699 Atomic density matrices (140.08477s) stopped
T01 >> 1462355869.67127800 Multipole moments (2.27390s) started
T01 << 1462355869.67540503 Multipole moments (2.27803s) stopped
T01 >> 1462355869.67542696 Normalize (0.62641s) started
T01 << 1462355869.67646790 Normalize (0.62745s) stopped
T01 >> 1462355869.67650294 Mix (67.96484s) started
T01 << 1462355869.78686190 Mix (68.07520s) stopped
T01 << 1462355869.78698611 Density (1225.95883s) stopped
T01 >> 1462355869.78710008 Hamiltonian (13808.28338s) started
T01 >> 1462355869.78712010 vbar (8.35413s) started
T01 << 1462355869.80034304 vbar (8.36736s) stopped
T01 >> 1462355869.80043292 XC 3D grid (5979.95058s) started
T01 >> 1462355869.97977805 van der Waals (5772.39792s) started
T01 >> 1462355870.02118492 semilocal (1297.86305s) started
T01 << 1462355872.24320412 semilocal (1300.08507s) stopped
T01 >> 1462355872.27381897 redistribute (626.98554s) started
T01 << 1462355872.66118407 redistribute (627.37290s) stopped
T01 >> 1462355872.66125011 libvdwxc nonlocal (3803.37299s) started
T01 << 1462355879.22796702 libvdwxc nonlocal (3809.93970s) stopped
T01 >> 1462355879.22803307 redistribute (627.37294s) started
T01 << 1462355879.88001800 redistribute (628.02493s) stopped
T01 << 1462355879.88130593 van der Waals (5782.29945s) stopped
T01 << 1462355880.05983591 XC 3D grid (5990.20999s) stopped
T01 >> 1462355880.05988407 Poisson (1214.96040s) started
T01 << 1462355882.38735104 Poisson (1217.28787s) stopped
T01 >> 1462355882.38745093 Hartree integrate/restrict (47.38325s) started
T01 << 1462355882.40446401 Hartree integrate/restrict (47.40026s) stopped
T01 >> 1462355882.40456104 Hartree integrate/restrict (47.40033s) started
T01 << 1462355882.47300196 Hartree integrate/restrict (47.46877s) stopped
T01 >> 1462355882.49162507 Atomic (3676.10841s) started
T01 >> 1462355882.50127912 XC Correction (3668.52388s) started
T01 << 1462355888.79146409 XC Correction (3674.81407s) stopped
T01 << 1462355888.79448795 Atomic (3682.41127s) stopped
T01 >> 1462355888.79459190 Communicate (2869.10689s) started
T01 << 1462355894.87624002 Communicate (2875.18854s) stopped
T01 << 1462355894.87626410 Hamiltonian (13833.37254s) stopped
T01 >> 1462355894.87633109 LCAO eigensolver (4982.97726s) started
T01 >> 1462355894.87634301 Potential matrix (160.65333s) started
T01 << 1462355895.14430189 Potential matrix (160.92129s) stopped
T01 >> 1462355895.14436889 DistributedAtomicCorrection (828.13225s) started
T01 << 1462355896.48096299 DistributedAtomicCorrection (829.46884s) stopped
T01 >> 1462355896.48101711 Distribute overlap matrix (724.64329s) started
T01 >> 1462355896.48103809 blocked summation (687.27725s) started
T01 << 1462355897.65481806 blocked summation (688.45103s) stopped
T01 >> 1462355897.65623212 Scalapack redistribute (36.37979s) started
T01 << 1462355897.71593904 Scalapack redistribute (36.43950s) stopped
T01 << 1462355897.71602106 Distribute overlap matrix (725.87829s) stopped
T01 >> 1462355897.71658397 Blacs Orbital Layouts (1710.27176s) started
T01 >> 1462355897.71776700 General diagonalize (1676.10315s) started
T01 << 1462355900.38978505 General diagonalize (1678.77517s) stopped
T01 >> 1462355900.38985109 Redistribute coefs (1.87336s) started
T01 << 1462355900.39258695 Redistribute coefs (1.87610s) stopped
T01 >> 1462355900.39263105 Send coefs to domains (31.33205s) started
T01 << 1462355900.44927406 Send coefs to domains (31.38870s) stopped
T01 << 1462355900.44932699 Blacs Orbital Layouts (1713.00450s) stopped
T01 >> 1462355900.44937897 Calculate projections (1558.74998s) started
T01 << 1462355902.91084099 Calculate projections (1561.21144s) stopped
T01 << 1462355902.91092491 LCAO eigensolver (4991.01185s) stopped
T01 >> 1462355902.91166496 Density (1225.95886s) started
T01 >> 1462355902.91167688 Pseudo density (1014.85409s) started
T01 >> 1462355902.91211510 Calculate density matrix (912.30192s) started
T01 << 1462355904.53399491 Calculate density matrix (913.92380s) stopped
T01 >> 1462355904.53408599 Construct density (101.11168s) started
T01 << 1462355904.71537089 Construct density (101.29296s) stopped
T01 >> 1462355904.71674490 Symmetrize density (0.02564s) started
T01 << 1462355904.71677709 Symmetrize density (0.02567s) stopped
T01 << 1462355904.71721411 Pseudo density (1016.65963s) stopped
T01 >> 1462355904.71723294 Atomic density matrices (140.08480s) started
T01 << 1462355904.96628594 Atomic density matrices (140.33385s) stopped
T01 >> 1462355904.96632695 Multipole moments (2.27804s) started
T01 << 1462355904.97044206 Multipole moments (2.28216s) stopped
T01 >> 1462355904.97046399 Normalize (0.62748s) started
T01 << 1462355904.97152901 Normalize (0.62854s) stopped
T01 >> 1462355904.97156310 Mix (68.07532s) started
T01 << 1462355905.08538795 Mix (68.18915s) stopped
T01 << 1462355905.08552194 Density (1228.13271s) stopped
T01 >> 1462355905.08565998 Hamiltonian (13833.37256s) started
T01 >> 1462355905.08568096 vbar (8.36741s) started
T01 << 1462355905.09905100 vbar (8.38078s) stopped
T01 >> 1462355905.09914303 XC 3D grid (5990.21002s) started
T01 >> 1462355905.27399111 van der Waals (5782.29949s) started
T01 >> 1462355905.31663299 semilocal (1300.08514s) started
T01 << 1462355907.54909205 semilocal (1302.31760s) stopped
T01 >> 1462355907.57930803 redistribute (628.02498s) started
T01 << 1462355907.95688295 redistribute (628.40255s) stopped
T01 >> 1462355907.95694900 libvdwxc nonlocal (3809.93975s) started
T01 << 1462355914.48257804 libvdwxc nonlocal (3816.46538s) stopped
T01 >> 1462355914.48268104 redistribute (628.40259s) started
T01 << 1462355915.13865995 redistribute (629.05857s) stopped
T01 << 1462355915.13975191 van der Waals (5792.16525s) stopped
T01 << 1462355915.31955504 XC 3D grid (6000.43044s) stopped
T01 >> 1462355915.31960011 Poisson (1217.28795s) started
T01 << 1462355917.65222096 Poisson (1219.62057s) stopped
T01 >> 1462355917.65229392 Hartree integrate/restrict (47.46881s) started
T01 << 1462355917.66937900 Hartree integrate/restrict (47.48590s) stopped
T01 >> 1462355917.66944194 Hartree integrate/restrict (47.48594s) started
T01 << 1462355917.73308206 Hartree integrate/restrict (47.54958s) stopped
T01 >> 1462355917.75501704 Atomic (3682.41129s) started
T01 >> 1462355917.76471806 XC Correction (3674.81409s) started
T01 << 1462355924.03129292 XC Correction (3681.08067s) stopped
T01 << 1462355924.03431892 Atomic (3688.69059s) stopped
T01 >> 1462355924.03442407 Communicate (2875.18855s) started
T01 << 1462355929.59411502 Communicate (2880.74825s) stopped
T01 << 1462355929.59413910 Hamiltonian (13857.88104s) stopped
T01 >> 1462355929.59420490 LCAO eigensolver (4991.01186s) started
T01 >> 1462355929.59421802 Potential matrix (160.92133s) started
T01 << 1462355929.86283803 Potential matrix (161.18995s) stopped
T01 >> 1462355929.86290598 DistributedAtomicCorrection (829.46887s) started
T01 << 1462355931.19759607 DistributedAtomicCorrection (830.80356s) stopped
T01 >> 1462355931.19765401 Distribute overlap matrix (725.87830s) started
T01 >> 1462355931.19767594 blocked summation (688.45107s) started
T01 << 1462355932.36394310 blocked summation (689.61734s) stopped
T01 >> 1462355932.36535597 Scalapack redistribute (36.43953s) started
T01 << 1462355932.42396212 Scalapack redistribute (36.49814s) stopped
T01 << 1462355932.42404199 Distribute overlap matrix (727.10469s) stopped
T01 >> 1462355932.42461205 Blacs Orbital Layouts (1713.00451s) started
T01 >> 1462355932.42579699 General diagonalize (1678.77521s) started
T01 << 1462355935.09545898 General diagonalize (1681.44487s) stopped
T01 >> 1462355935.09552503 Redistribute coefs (1.87613s) started
T01 << 1462355935.09929800 Redistribute coefs (1.87990s) stopped
T01 >> 1462355935.09934402 Send coefs to domains (31.38874s) started
T01 << 1462355935.15373397 Send coefs to domains (31.44313s) stopped
T01 << 1462355935.15378904 Blacs Orbital Layouts (1715.73369s) stopped
T01 >> 1462355935.15384007 Calculate projections (1561.21150s) started
T01 << 1462355937.61526299 Calculate projections (1563.67292s) stopped
T01 << 1462355937.61534595 LCAO eigensolver (4999.03300s) stopped
T01 >> 1462355937.61610007 Density (1228.13274s) started
T01 >> 1462355937.61611295 Pseudo density (1016.65964s) started
T01 >> 1462355937.61655807 Calculate density matrix (913.92384s) started
T01 << 1462355939.23920298 Calculate density matrix (915.54649s) stopped
T01 >> 1462355939.23929501 Construct density (101.29299s) started
T01 << 1462355939.42054105 Construct density (101.47423s) stopped
T01 >> 1462355939.42191291 Symmetrize density (0.02568s) started
T01 << 1462355939.42194700 Symmetrize density (0.02571s) stopped
T01 << 1462355939.42238212 Pseudo density (1018.46591s) stopped
T01 >> 1462355939.42240095 Atomic density matrices (140.33388s) started
T01 << 1462355939.67189598 Atomic density matrices (140.58338s) stopped
T01 >> 1462355939.67193794 Multipole moments (2.28217s) started
T01 << 1462355939.67604709 Multipole moments (2.28628s) stopped
T01 >> 1462355939.67606997 Normalize (0.62856s) started
T01 << 1462355939.67712808 Normalize (0.62962s) stopped
T01 >> 1462355939.67716408 Mix (68.18928s) started
T01 << 1462355939.79487801 Mix (68.30699s) stopped
T01 << 1462355939.79499197 Density (1230.31163s) stopped
T01 >> 1462355939.79510999 Hamiltonian (13857.88105s) started
T01 >> 1462355939.79513311 vbar (8.38083s) started
T01 << 1462355939.80826807 vbar (8.39397s) stopped
T01 >> 1462355939.80835509 XC 3D grid (6000.43047s) started
T01 >> 1462355939.98350406 van der Waals (5792.16529s) started
T01 >> 1462355940.02549291 semilocal (1302.31766s) started
T01 << 1462355942.24834895 semilocal (1304.54052s) stopped
T01 >> 1462355942.27912807 redistribute (629.05861s) started
T01 << 1462355942.66875100 redistribute (629.44823s) stopped
T01 >> 1462355942.66881800 libvdwxc nonlocal (3816.46543s) started
T01 << 1462355949.23017502 libvdwxc nonlocal (3823.02679s) stopped
T01 >> 1462355949.23023391 redistribute (629.44827s) started
T01 << 1462355949.88811398 redistribute (630.10615s) stopped
T01 << 1462355949.88927889 van der Waals (5802.07107s) stopped
T01 << 1462355950.06761003 XC 3D grid (6010.68973s) stopped
T01 >> 1462355950.06768203 Poisson (1219.62062s) started
T01 << 1462355952.40419006 Poisson (1221.95713s) stopped
T01 >> 1462355952.40428591 Hartree integrate/restrict (47.54962s) started
T01 << 1462355952.42128110 Hartree integrate/restrict (47.56661s) stopped
T01 >> 1462355952.42137003 Hartree integrate/restrict (47.56668s) started
T01 << 1462355952.48456407 Hartree integrate/restrict (47.62987s) stopped
T01 >> 1462355952.50654697 Atomic (3688.69061s) started
T01 >> 1462355952.51651096 XC Correction (3681.08069s) started
T01 << 1462355958.83219600 XC Correction (3687.39638s) stopped
T01 << 1462355958.83520889 Atomic (3695.01927s) stopped
T01 >> 1462355958.83531094 Communicate (2880.74826s) started
T01 << 1462355963.78099799 Communicate (2885.69395s) stopped
T01 << 1462355963.78102207 Hamiltonian (13881.86696s) stopped
T01 >> 1462355963.78108811 LCAO eigensolver (4999.03302s) started
T01 >> 1462355963.78110099 Potential matrix (161.18998s) started
T01 << 1462355964.04871893 Potential matrix (161.45760s) stopped
T01 >> 1462355964.04878807 DistributedAtomicCorrection (830.80360s) started
T01 << 1462355965.40974998 DistributedAtomicCorrection (832.16456s) stopped
T01 >> 1462355965.40980506 Distribute overlap matrix (727.10470s) started
T01 >> 1462355965.40982699 blocked summation (689.61738s) started
T01 << 1462355966.53666711 blocked summation (690.74422s) stopped
T01 >> 1462355966.53834701 Scalapack redistribute (36.49817s) started
T01 << 1462355966.59716105 Scalapack redistribute (36.55698s) stopped
T01 << 1462355966.59724593 Distribute overlap matrix (728.29215s) stopped
T01 >> 1462355966.59784508 Blacs Orbital Layouts (1715.73370s) started
T01 >> 1462355966.59919000 General diagonalize (1681.44491s) started
T01 << 1462355969.26793408 General diagonalize (1684.11365s) stopped
T01 >> 1462355969.26799989 Redistribute coefs (1.87994s) started
T01 << 1462355969.27074289 Redistribute coefs (1.88268s) stopped
T01 >> 1462355969.27078891 Send coefs to domains (31.44317s) started
T01 << 1462355969.32739210 Send coefs to domains (31.49977s) stopped
T01 << 1462355969.32782412 Blacs Orbital Layouts (1718.46368s) stopped
T01 >> 1462355969.32787895 Calculate projections (1563.67298s) started
T01 << 1462355971.78951597 Calculate projections (1566.13462s) stopped
T01 << 1462355971.78979897 LCAO eigensolver (5007.04173s) stopped
T01 >> 1462355971.79051495 Density (1230.31165s) started
T01 >> 1462355971.79052806 Pseudo density (1018.46592s) started
T01 >> 1462355971.79097891 Calculate density matrix (915.54653s) started
T01 << 1462355973.41834688 Calculate density matrix (917.17390s) stopped
T01 >> 1462355973.41844106 Construct density (101.47426s) started
T01 << 1462355973.59939098 Construct density (101.65521s) stopped
T01 >> 1462355973.60079288 Symmetrize density (0.02573s) started
T01 << 1462355973.60082793 Symmetrize density (0.02576s) stopped
T01 << 1462355973.60126400 Pseudo density (1020.27666s) stopped
T01 >> 1462355973.60128307 Atomic density matrices (140.58340s) started
T01 << 1462355973.85233307 Atomic density matrices (140.83445s) stopped
T01 >> 1462355973.85237288 Multipole moments (2.28630s) started
T01 << 1462355973.85647702 Multipole moments (2.29040s) stopped
T01 >> 1462355973.85649896 Normalize (0.62965s) started
T01 << 1462355973.85756111 Normalize (0.63071s) stopped
T01 >> 1462355973.85759807 Mix (68.30710s) started
T01 << 1462355973.97804308 Mix (68.42755s) stopped
T01 << 1462355973.97816205 Density (1232.49930s) stopped
T01 >> 1462355973.97827601 Hamiltonian (13881.86698s) started
T01 >> 1462355973.97829604 vbar (8.39402s) started
T01 << 1462355973.99157190 vbar (8.40730s) stopped
T01 >> 1462355973.99167109 XC 3D grid (6010.68978s) started
T01 >> 1462355974.17214108 van der Waals (5802.07111s) started
T01 >> 1462355974.21411109 semilocal (1304.54058s) started
T01 << 1462355976.43470097 semilocal (1306.76117s) stopped
T01 >> 1462355976.46462989 redistribute (630.10620s) started
T01 << 1462355976.84221506 redistribute (630.48378s) stopped
T01 >> 1462355976.84228206 libvdwxc nonlocal (3823.02683s) started
T01 << 1462355983.35973501 libvdwxc nonlocal (3829.54428s) stopped
T01 >> 1462355983.35982609 redistribute (630.48382s) started
T01 << 1462355984.02451706 redistribute (631.14851s) stopped
T01 << 1462355984.02608895 van der Waals (5811.92505s) stopped
T01 << 1462355984.20605898 XC 3D grid (6020.90417s) stopped
T01 >> 1462355984.20610690 Poisson (1221.95720s) started
T01 << 1462355986.54255795 Poisson (1224.29365s) stopped
T01 >> 1462355986.54263496 Hartree integrate/restrict (47.62991s) started
T01 << 1462355986.55966997 Hartree integrate/restrict (47.64695s) stopped
T01 >> 1462355986.55971789 Hartree integrate/restrict (47.64698s) started
T01 << 1462355986.62345290 Hartree integrate/restrict (47.71072s) stopped
T01 >> 1462355986.64487290 Atomic (3695.01929s) started
T01 >> 1462355986.65490389 XC Correction (3687.39640s) started
T01 << 1462355993.01700091 XC Correction (3693.75850s) stopped
T01 << 1462355993.02002597 Atomic (3701.39444s) stopped
T01 >> 1462355993.02012801 Communicate (2885.69396s) started
T01 << 1462355997.90397501 Communicate (2890.57781s) stopped
T01 << 1462355997.90399790 Hamiltonian (13905.79270s) stopped
T01 >> 1462355997.90406203 LCAO eigensolver (5007.04174s) started
T01 >> 1462355997.90407395 Potential matrix (161.45763s) started
T01 << 1462355998.17352295 Potential matrix (161.72708s) stopped
T01 >> 1462355998.17358994 DistributedAtomicCorrection (832.16459s) started
T01 << 1462355999.53759503 DistributedAtomicCorrection (833.52860s) stopped
T01 >> 1462355999.53765202 Distribute overlap matrix (728.29216s) started
T01 >> 1462355999.53767395 blocked summation (690.74426s) started
T01 << 1462356000.66324401 blocked summation (691.86983s) stopped
T01 >> 1462356000.66510391 Scalapack redistribute (36.55702s) started
T01 << 1462356000.72387695 Scalapack redistribute (36.61580s) stopped
T01 << 1462356000.72396111 Distribute overlap matrix (729.47847s) stopped
T01 >> 1462356000.72454906 Blacs Orbital Layouts (1718.46370s) started
T01 >> 1462356000.72592211 General diagonalize (1684.11369s) started
T01 << 1462356003.40861702 General diagonalize (1686.79638s) stopped
T01 >> 1462356003.40866995 Redistribute coefs (1.88272s) started
T01 << 1462356003.41227603 Redistribute coefs (1.88633s) stopped
T01 >> 1462356003.41232204 Send coefs to domains (31.49982s) started
T01 << 1462356003.46948195 Send coefs to domains (31.55698s) stopped
T01 << 1462356003.46992302 Blacs Orbital Layouts (1721.20907s) stopped
T01 >> 1462356003.46998811 Calculate projections (1566.13467s) started
T01 << 1462356005.93175507 Calculate projections (1568.59644s) stopped
T01 << 1462356005.93202996 LCAO eigensolver (5015.06971s) stopped
T01 >> 1462356005.93274999 Density (1232.49932s) started
T01 >> 1462356005.93276310 Pseudo density (1020.27667s) started
T01 >> 1462356005.93320608 Calculate density matrix (917.17394s) started
T01 << 1462356007.56323004 Calculate density matrix (918.80397s) stopped
T01 >> 1462356007.56332111 Construct density (101.65524s) started
T01 << 1462356007.74463391 Construct density (101.83655s) stopped
T01 >> 1462356007.74691701 Symmetrize density (0.02577s) started
T01 << 1462356007.74694991 Symmetrize density (0.02581s) stopped
T01 << 1462356007.74738598 Pseudo density (1022.09130s) stopped
T01 >> 1462356007.74740505 Atomic density matrices (140.83448s) started
T01 << 1462356007.99546099 Atomic density matrices (141.08254s) stopped
T01 >> 1462356007.99550200 Multipole moments (2.29041s) started
T01 << 1462356007.99957895 Multipole moments (2.29449s) stopped
T01 >> 1462356007.99960208 Normalize (0.63074s) started
T01 << 1462356008.00065994 Normalize (0.63180s) stopped
T01 >> 1462356008.00069499 Mix (68.42766s) started
T01 << 1462356008.12195206 Mix (68.54892s) stopped
T01 << 1462356008.12210011 Density (1234.68867s) stopped
T01 >> 1462356008.12224102 Hamiltonian (13905.79271s) started
T01 >> 1462356008.12226295 vbar (8.40735s) started
T01 << 1462356008.13542199 vbar (8.42051s) stopped
T01 >> 1462356008.13550305 XC 3D grid (6020.90421s) started
T01 >> 1462356008.31058908 van der Waals (5811.92516s) started
T01 >> 1462356008.35298991 semilocal (1306.76127s) started
T01 << 1462356010.58547592 semilocal (1308.99376s) stopped
T01 >> 1462356010.61511588 redistribute (631.14861s) started
T01 << 1462356010.98818898 redistribute (631.52168s) stopped
T01 >> 1462356010.98825598 libvdwxc nonlocal (3829.54434s) started
T01 << 1462356017.53103089 libvdwxc nonlocal (3836.08712s) stopped
T01 >> 1462356017.53109002 redistribute (631.52172s) started
T01 << 1462356018.19923496 redistribute (632.18987s) stopped
T01 << 1462356018.20109797 van der Waals (5821.81566s) stopped
T01 << 1462356018.37458611 XC 3D grid (6031.14329s) stopped
T01 >> 1462356018.37463593 Poisson (1224.29371s) started
T01 << 1462356020.70528889 Poisson (1226.62436s) stopped
T01 >> 1462356020.70536804 Hartree integrate/restrict (47.71075s) started
T01 << 1462356020.72239804 Hartree integrate/restrict (47.72778s) stopped
T01 >> 1462356020.72244906 Hartree integrate/restrict (47.72782s) started
T01 << 1462356020.78643107 Hartree integrate/restrict (47.79180s) stopped
T01 >> 1462356020.80862188 Atomic (3701.39446s) started
T01 >> 1462356020.81865311 XC Correction (3693.75852s) started
T01 << 1462356027.11757493 XC Correction (3700.05744s) stopped
T01 << 1462356027.12061501 Atomic (3707.70645s) stopped
T01 >> 1462356027.12072206 Communicate (2890.57783s) started
T01 << 1462356032.10214400 Communicate (2895.55925s) stopped
T01 << 1462356032.10216808 Hamiltonian (13929.77264s) stopped
T01 >> 1462356032.10223198 LCAO eigensolver (5015.06973s) started
T01 >> 1462356032.10224509 Potential matrix (161.72712s) started
T01 << 1462356032.37082291 Potential matrix (161.99569s) stopped
T01 >> 1462356032.37088895 DistributedAtomicCorrection (833.52863s) started
T01 << 1462356033.73436809 DistributedAtomicCorrection (834.89211s) stopped
T01 >> 1462356033.73442197 Distribute overlap matrix (729.47848s) started
T01 >> 1462356033.73444295 blocked summation (691.86986s) started
T01 << 1462356034.87338495 blocked summation (693.00881s) stopped
T01 >> 1462356034.87570095 Scalapack redistribute (36.61583s) started
T01 << 1462356034.93495393 Scalapack redistribute (36.67509s) stopped
T01 << 1462356034.93503690 Distribute overlap matrix (730.67909s) stopped
T01 >> 1462356034.93563390 Blacs Orbital Layouts (1721.20909s) started
T01 >> 1462356034.93680191 General diagonalize (1686.79643s) started
T01 << 1462356037.59955001 General diagonalize (1689.45917s) stopped
T01 >> 1462356037.59961510 Redistribute coefs (1.88636s) started
T01 << 1462356037.60256505 Redistribute coefs (1.88931s) stopped
T01 >> 1462356037.60261393 Send coefs to domains (31.55702s) started
T01 << 1462356037.65846992 Send coefs to domains (31.61288s) stopped
T01 << 1462356037.65881991 Blacs Orbital Layouts (1723.93227s) stopped
T01 >> 1462356037.65887809 Calculate projections (1568.59650s) started
T01 << 1462356040.12045693 Calculate projections (1571.05808s) stopped
T01 << 1462356040.12089896 LCAO eigensolver (5023.08840s) stopped
T01 >> 1462356040.12163997 Density (1234.68869s) started
T01 >> 1462356040.12165809 Pseudo density (1022.09131s) started
T01 >> 1462356040.12210894 Calculate density matrix (918.80401s) started
T01 << 1462356041.74071002 Calculate density matrix (920.42261s) stopped
T01 >> 1462356041.74081206 Construct density (101.83658s) started
T01 << 1462356041.92212296 Construct density (102.01789s) stopped
T01 >> 1462356041.92350292 Symmetrize density (0.02582s) started
T01 << 1462356041.92353511 Symmetrize density (0.02585s) stopped
T01 << 1462356041.92397809 Pseudo density (1023.89363s) stopped
T01 >> 1462356041.92399693 Atomic density matrices (141.08256s) started
T01 << 1462356042.17279792 Atomic density matrices (141.33137s) stopped
T01 >> 1462356042.17284012 Multipole moments (2.29451s) started
T01 << 1462356042.17694712 Multipole moments (2.29861s) stopped
T01 >> 1462356042.17696905 Normalize (0.63182s) started
T01 << 1462356042.17803001 Normalize (0.63288s) stopped
T01 >> 1462356042.17806506 Mix (68.54906s) started
T01 << 1462356042.29999495 Mix (68.67099s) stopped
T01 << 1462356042.30011201 Density (1236.86716s) stopped
T01 >> 1462356042.30023789 Hamiltonian (13929.77265s) started
T01 >> 1462356042.30026007 vbar (8.42056s) started
T01 << 1462356042.31337595 vbar (8.43367s) stopped
T01 >> 1462356042.31346703 XC 3D grid (6031.14333s) started
T01 >> 1462356042.48102999 van der Waals (5821.81575s) started
T01 >> 1462356042.52321291 semilocal (1308.99383s) started
T01 << 1462356044.74811506 semilocal (1311.21874s) stopped
T01 >> 1462356044.77973604 redistribute (632.18997s) started
T01 << 1462356045.15681291 redistribute (632.56704s) stopped
T01 >> 1462356045.15687895 libvdwxc nonlocal (3836.08715s) started
T01 << 1462356051.67253089 libvdwxc nonlocal (3842.60280s) stopped
T01 >> 1462356051.67258906 redistribute (632.56708s) started
T01 << 1462356052.32782006 redistribute (633.22231s) stopped
T01 << 1462356052.32902789 van der Waals (5831.66374s) stopped
T01 << 1462356052.50887299 XC 3D grid (6041.33874s) stopped
T01 >> 1462356052.50891805 Poisson (1226.62442s) started
T01 << 1462356054.84479594 Poisson (1228.96030s) stopped
T01 >> 1462356054.84486794 Hartree integrate/restrict (47.79183s) started
T01 << 1462356054.86188006 Hartree integrate/restrict (47.80884s) stopped
T01 >> 1462356054.86197090 Hartree integrate/restrict (47.80891s) started
T01 << 1462356054.93047595 Hartree integrate/restrict (47.87742s) stopped
T01 >> 1462356054.94787502 Atomic (3707.70647s) started
T01 >> 1462356054.95781898 XC Correction (3700.05747s) started
T01 << 1462356061.28677011 XC Correction (3706.38642s) stopped
T01 << 1462356061.28982592 Atomic (3714.04842s) stopped
T01 >> 1462356061.28992605 Communicate (2895.55926s) started
T01 << 1462356066.25053000 Communicate (2900.51987s) stopped
T01 << 1462356066.25056100 Hamiltonian (13953.72298s) stopped
T01 >> 1462356066.25063300 LCAO eigensolver (5023.08842s) started
T01 >> 1462356066.25064993 Potential matrix (161.99573s) started
T01 << 1462356066.52125001 Potential matrix (162.26633s) stopped
T01 >> 1462356066.52131701 DistributedAtomicCorrection (834.89214s) started
T01 << 1462356067.87151003 DistributedAtomicCorrection (836.24233s) stopped
T01 >> 1462356067.87156391 Distribute overlap matrix (730.67911s) started
T01 >> 1462356067.87158608 blocked summation (693.00884s) started
T01 << 1462356069.03488803 blocked summation (694.17215s) stopped
T01 >> 1462356069.03656197 Scalapack redistribute (36.67512s) started
T01 << 1462356069.09512091 Scalapack redistribute (36.73368s) stopped
T01 << 1462356069.09520507 Distribute overlap matrix (731.90275s) stopped
T01 >> 1462356069.09579897 Blacs Orbital Layouts (1723.93229s) started
T01 >> 1462356069.09693599 General diagonalize (1689.45921s) started
T01 << 1462356071.76291108 General diagonalize (1692.12519s) stopped
T01 >> 1462356071.76297593 Redistribute coefs (1.88935s) started
T01 << 1462356071.76655889 Redistribute coefs (1.89293s) stopped
T01 >> 1462356071.76660705 Send coefs to domains (31.61292s) started
T01 << 1462356071.82313800 Send coefs to domains (31.66945s) stopped
T01 << 1462356071.82350802 Blacs Orbital Layouts (1726.66000s) stopped
T01 >> 1462356071.82356310 Calculate projections (1571.05813s) started
T01 << 1462356074.28511190 Calculate projections (1573.51968s) stopped
T01 << 1462356074.28538895 LCAO eigensolver (5031.12317s) stopped
T01 >> 1462356074.28611994 Density (1236.86718s) started
T01 >> 1462356074.28613305 Pseudo density (1023.89364s) started
T01 >> 1462356074.28657699 Calculate density matrix (920.42265s) started
T01 << 1462356075.90707898 Calculate density matrix (922.04316s) stopped
T01 >> 1462356075.90716910 Construct density (102.01792s) started
T01 << 1462356076.08823991 Construct density (102.19899s) stopped
T01 >> 1462356076.08961010 Symmetrize density (0.02586s) started
T01 << 1462356076.08964610 Symmetrize density (0.02590s) stopped
T01 << 1462356076.09008408 Pseudo density (1025.69760s) stopped
T01 >> 1462356076.09010291 Atomic density matrices (141.33139s) started
T01 << 1462356076.33959508 Atomic density matrices (141.58089s) stopped
T01 >> 1462356076.33963704 Multipole moments (2.29863s) started
T01 << 1462356076.34375310 Multipole moments (2.30275s) stopped
T01 >> 1462356076.34377599 Normalize (0.63291s) started
T01 << 1462356076.34483004 Normalize (0.63396s) stopped
T01 >> 1462356076.34486508 Mix (68.67110s) started
T01 << 1462356076.46711206 Mix (68.79335s) stopped
T01 << 1462356076.46723008 Density (1239.04829s) stopped
T01 >> 1462356076.46735811 Hamiltonian (13953.72299s) started
T01 >> 1462356076.46737790 vbar (8.43373s) started
T01 << 1462356076.48077893 vbar (8.44713s) stopped
T01 >> 1462356076.48087001 XC 3D grid (6041.33877s) started
T01 >> 1462356076.65548992 van der Waals (5831.66378s) started
T01 >> 1462356076.69773006 semilocal (1311.21881s) started
T01 << 1462356078.92945194 semilocal (1313.45053s) stopped
T01 >> 1462356078.96053290 redistribute (633.22236s) started
T01 << 1462356079.33470201 redistribute (633.59653s) stopped
T01 >> 1462356079.33476710 libvdwxc nonlocal (3842.60284s) started
T01 << 1462356085.89434195 libvdwxc nonlocal (3849.16242s) stopped
T01 >> 1462356085.89440107 redistribute (633.59656s) started
T01 << 1462356086.55192900 redistribute (634.25409s) stopped
T01 << 1462356086.55322790 van der Waals (5841.56152s) stopped
T01 << 1462356086.73257303 XC 3D grid (6051.59047s) stopped
T01 >> 1462356086.73263311 Poisson (1228.96035s) started
T01 << 1462356088.49252510 Poisson (1230.72024s) stopped
T01 >> 1462356088.49260306 Hartree integrate/restrict (47.87745s) started
T01 << 1462356088.50955892 Hartree integrate/restrict (47.89441s) stopped
T01 >> 1462356088.50961995 Hartree integrate/restrict (47.89444s) started
T01 << 1462356088.57290602 Hartree integrate/restrict (47.95773s) stopped
T01 >> 1462356088.59668803 Atomic (3714.04844s) started
T01 >> 1462356088.60668397 XC Correction (3706.38644s) started
T01 << 1462356094.91927600 XC Correction (3712.69904s) stopped
T01 << 1462356094.92230701 Atomic (3720.37406s) stopped
T01 >> 1462356094.92241311 Communicate (2900.51989s) started
T01 << 1462356099.84584594 Communicate (2905.44332s) stopped
T01 << 1462356099.84586906 Hamiltonian (13977.10150s) stopped
T01 >> 1462356099.84593391 LCAO eigensolver (5031.12319s) started
T01 >> 1462356099.84594703 Potential matrix (162.26636s) started
T01 << 1462356100.11623001 Potential matrix (162.53665s) stopped
T01 >> 1462356100.11630011 DistributedAtomicCorrection (836.24237s) started
T01 << 1462356101.48247004 DistributedAtomicCorrection (837.60854s) stopped
T01 >> 1462356101.48252511 Distribute overlap matrix (731.90276s) started
T01 >> 1462356101.48254609 blocked summation (694.17218s) started
T01 << 1462356102.62599492 blocked summation (695.31563s) stopped
T01 >> 1462356102.62776399 Scalapack redistribute (36.73372s) started
T01 << 1462356102.68606901 Scalapack redistribute (36.79202s) stopped
T01 << 1462356102.68615294 Distribute overlap matrix (733.10639s) stopped
T01 >> 1462356102.68674493 Blacs Orbital Layouts (1726.66002s) started
T01 >> 1462356102.68794799 General diagonalize (1692.12522s) started
T01 << 1462356105.34762907 General diagonalize (1694.78490s) stopped
T01 >> 1462356105.34769702 Redistribute coefs (1.89297s) started
T01 << 1462356105.35131502 Redistribute coefs (1.89659s) stopped
T01 >> 1462356105.35136104 Send coefs to domains (31.66949s) started
T01 << 1462356105.40668893 Send coefs to domains (31.72482s) stopped
T01 << 1462356105.40711188 Blacs Orbital Layouts (1729.38038s) stopped
T01 >> 1462356105.40716791 Calculate projections (1573.51974s) started
T01 << 1462356107.86885595 Calculate projections (1575.98143s) stopped
T01 << 1462356107.86913395 LCAO eigensolver (5039.14639s) stopped
T01 >> 1462356107.86985993 Density (1239.04832s) started
T01 >> 1462356107.86987305 Pseudo density (1025.69761s) started
T01 >> 1462356107.87031007 Calculate density matrix (922.04320s) started
T01 << 1462356109.49857712 Calculate density matrix (923.67147s) stopped
T01 >> 1462356109.49867201 Construct density (102.19902s) started
T01 << 1462356109.67937589 Construct density (102.37972s) stopped
T01 >> 1462356109.68074703 Symmetrize density (0.02591s) started
T01 << 1462356109.68078089 Symmetrize density (0.02594s) stopped
T01 << 1462356109.68121505 Pseudo density (1027.50895s) stopped
T01 >> 1462356109.68123507 Atomic density matrices (141.58091s) started
T01 << 1462356109.93068910 Atomic density matrices (141.83037s) stopped
T01 >> 1462356109.93073106 Multipole moments (2.30276s) started
T01 << 1462356109.93480992 Multipole moments (2.30684s) stopped
T01 >> 1462356109.93483305 Normalize (0.63399s) started
T01 << 1462356109.93589211 Normalize (0.63505s) stopped
T01 >> 1462356109.93592811 Mix (68.79346s) started
T01 << 1462356110.05770206 Mix (68.91523s) stopped
T01 << 1462356110.05781889 Density (1241.23627s) stopped
T01 >> 1462356110.05793309 Hamiltonian (13977.10152s) started
T01 >> 1462356110.05795407 vbar (8.44718s) started
T01 << 1462356110.07125092 vbar (8.46048s) stopped
T01 >> 1462356110.07133698 XC 3D grid (6051.59052s) started
T01 >> 1462356110.24721193 van der Waals (5841.56157s) started
T01 >> 1462356110.28910899 semilocal (1313.45061s) started
T01 << 1462356112.51425409 semilocal (1315.67576s) stopped
T01 >> 1462356112.54408097 redistribute (634.25414s) started
T01 << 1462356112.93002510 redistribute (634.64008s) stopped
T01 >> 1462356112.93009210 libvdwxc nonlocal (3849.16245s) started
T01 << 1462356119.47997594 libvdwxc nonlocal (3855.71234s) stopped
T01 >> 1462356119.48004889 redistribute (634.64012s) started
T01 << 1462356120.13496089 redistribute (635.29503s) stopped
T01 << 1462356120.13627195 van der Waals (5851.45063s) stopped
T01 << 1462356120.31579804 XC 3D grid (6061.83498s) stopped
T01 >> 1462356120.31584692 Poisson (1230.72030s) started
T01 << 1462356122.06782198 Poisson (1232.47227s) stopped
T01 >> 1462356122.06790209 Hartree integrate/restrict (47.95776s) started
T01 << 1462356122.08488011 Hartree integrate/restrict (47.97474s) stopped
T01 >> 1462356122.08492804 Hartree integrate/restrict (47.97477s) started
T01 << 1462356122.14769292 Hartree integrate/restrict (48.03754s) stopped
T01 >> 1462356122.17002892 Atomic (3720.37407s) started
T01 >> 1462356122.17996192 XC Correction (3712.69906s) started
T01 << 1462356128.49011493 XC Correction (3719.00921s) stopped
T01 << 1462356128.49313593 Atomic (3726.69718s) stopped
T01 >> 1462356128.49323606 Communicate (2905.44334s) started
T01 << 1462356133.49201488 Communicate (2910.44212s) stopped
T01 << 1462356133.49203801 Hamiltonian (14000.53562s) stopped
T01 >> 1462356133.49210596 LCAO eigensolver (5039.14641s) started
T01 >> 1462356133.49211788 Potential matrix (162.53668s) started
T01 << 1462356133.76327801 Potential matrix (162.80784s) stopped
T01 >> 1462356133.76334500 DistributedAtomicCorrection (837.60857s) started
T01 << 1462356135.12712502 DistributedAtomicCorrection (838.97235s) stopped
T01 >> 1462356135.12718010 Distribute overlap matrix (733.10640s) started
T01 >> 1462356135.12720203 blocked summation (695.31567s) started
T01 << 1462356136.24429798 blocked summation (696.43277s) stopped
T01 >> 1462356136.24571395 Scalapack redistribute (36.79206s) started
T01 << 1462356136.30495191 Scalapack redistribute (36.85130s) stopped
T01 << 1462356136.30503607 Distribute overlap matrix (734.28426s) stopped
T01 >> 1462356136.30560303 Blacs Orbital Layouts (1729.38040s) started
T01 >> 1462356136.30717993 General diagonalize (1694.78495s) started
T01 << 1462356138.96833706 General diagonalize (1697.44610s) stopped
T01 >> 1462356138.96840096 Redistribute coefs (1.89662s) started
T01 << 1462356138.97149301 Redistribute coefs (1.89971s) stopped
T01 >> 1462356138.97153997 Send coefs to domains (31.72486s) started
T01 << 1462356139.02778506 Send coefs to domains (31.78111s) stopped
T01 << 1462356139.02841210 Blacs Orbital Layouts (1732.10321s) stopped
T01 >> 1462356139.02846503 Calculate projections (1575.98149s) started
T01 << 1462356141.49006701 Calculate projections (1578.44309s) stopped
T01 << 1462356141.49015093 LCAO eigensolver (5047.14446s) stopped
T01 >> 1462356141.49090409 Density (1241.23629s) started
T01 >> 1462356141.49091697 Pseudo density (1027.50897s) started
T01 >> 1462356141.49135709 Calculate density matrix (923.67151s) started
T01 << 1462356143.11160707 Calculate density matrix (925.29176s) stopped
T01 >> 1462356143.11169696 Construct density (102.37975s) started
T01 << 1462356143.29311895 Construct density (102.56117s) stopped
T01 >> 1462356143.29448795 Symmetrize density (0.02595s) started
T01 << 1462356143.29451990 Symmetrize density (0.02599s) stopped
T01 << 1462356143.29496408 Pseudo density (1029.31301s) stopped
T01 >> 1462356143.29498410 Atomic density matrices (141.83040s) started
T01 << 1462356143.54452491 Atomic density matrices (142.07994s) stopped
T01 >> 1462356143.54456806 Multipole moments (2.30686s) started
T01 << 1462356143.54869604 Multipole moments (2.31098s) stopped
T01 >> 1462356143.54871798 Normalize (0.63507s) started
T01 << 1462356143.54978108 Normalize (0.63614s) stopped
T01 >> 1462356143.54981589 Mix (68.91534s) started
T01 << 1462356143.67143703 Mix (69.03696s) stopped
T01 << 1462356143.67156291 Density (1243.41695s) stopped
T01 >> 1462356143.67168307 Hamiltonian (14000.53563s) started
T01 >> 1462356143.67170405 vbar (8.46053s) started
T01 << 1462356143.68505311 vbar (8.47388s) stopped
T01 >> 1462356143.68513489 XC 3D grid (6061.83502s) started
T01 >> 1462356143.85641599 van der Waals (5851.45069s) started
T01 >> 1462356143.89846206 semilocal (1315.67582s) started
T01 << 1462356146.12196589 semilocal (1317.89932s) stopped
T01 >> 1462356146.15357399 redistribute (635.29512s) started
T01 << 1462356146.53695798 redistribute (635.67850s) stopped
T01 >> 1462356146.53702497 libvdwxc nonlocal (3855.71239s) started
T01 << 1462356153.09110904 libvdwxc nonlocal (3862.26647s) stopped
T01 >> 1462356153.09116697 redistribute (635.67854s) started
T01 << 1462356153.74879408 redistribute (636.33617s) stopped
T01 << 1462356153.74999404 van der Waals (5861.34426s) stopped
T01 << 1462356153.93186307 XC 3D grid (6072.08175s) stopped
T01 >> 1462356153.93191290 Poisson (1232.47233s) started
T01 << 1462356155.68898201 Poisson (1234.22940s) stopped
T01 >> 1462356155.68905902 Hartree integrate/restrict (48.03758s) started
T01 << 1462356155.70606709 Hartree integrate/restrict (48.05459s) stopped
T01 >> 1462356155.70611310 Hartree integrate/restrict (48.05462s) started
T01 << 1462356155.76990390 Hartree integrate/restrict (48.11841s) stopped
T01 >> 1462356155.79425406 Atomic (3726.69720s) started
T01 >> 1462356155.80411601 XC Correction (3719.00924s) started
T01 << 1462356162.11526108 XC Correction (3725.32038s) stopped
T01 << 1462356162.11829305 Atomic (3733.02124s) stopped
T01 >> 1462356162.11839604 Communicate (2910.44213s) started
T01 << 1462356167.32873893 Communicate (2915.65247s) stopped
T01 << 1462356167.32876205 Hamiltonian (14024.19271s) stopped
T01 >> 1462356167.32882810 LCAO eigensolver (5047.14447s) started
T01 >> 1462356167.32884097 Potential matrix (162.80787s) started
T01 << 1462356167.59668207 Potential matrix (163.07572s) stopped
T01 >> 1462356167.59675002 DistributedAtomicCorrection (838.97238s) started
T01 << 1462356168.96327710 DistributedAtomicCorrection (840.33891s) stopped
T01 >> 1462356168.96333194 Distribute overlap matrix (734.28427s) started
T01 >> 1462356168.96335411 blocked summation (696.43281s) started
T01 << 1462356170.05572104 blocked summation (697.52517s) stopped
T01 >> 1462356170.05742002 Scalapack redistribute (36.85134s) started
T01 << 1462356170.13639402 Scalapack redistribute (36.93031s) stopped
T01 << 1462356170.13647699 Distribute overlap matrix (735.45741s) stopped
T01 >> 1462356170.13707709 Blacs Orbital Layouts (1732.10323s) started
T01 >> 1462356170.13854790 General diagonalize (1697.44614s) started
T01 << 1462356172.83687496 General diagonalize (1700.14447s) stopped
T01 >> 1462356172.83694100 Redistribute coefs (1.89975s) started
T01 << 1462356172.83987188 Redistribute coefs (1.90268s) stopped
T01 >> 1462356172.83992004 Send coefs to domains (31.78115s) started
T01 << 1462356172.89461493 Send coefs to domains (31.83585s) stopped
T01 << 1462356172.89508700 Blacs Orbital Layouts (1734.86124s) stopped
T01 >> 1462356172.89513803 Calculate projections (1578.44315s) started
T01 << 1462356175.35536909 Calculate projections (1580.90338s) stopped
T01 << 1462356175.35565305 LCAO eigensolver (5055.17129s) stopped
T01 >> 1462356175.35637808 Density (1243.41697s) started
T01 >> 1462356175.35639095 Pseudo density (1029.31303s) started
T01 >> 1462356175.35686398 Calculate density matrix (925.29181s) started
T01 << 1462356176.97083998 Calculate density matrix (926.90578s) stopped
T01 >> 1462356176.97096610 Construct density (102.56120s) started
T01 << 1462356177.15193391 Construct density (102.74217s) stopped
T01 >> 1462356177.15334105 Symmetrize density (0.02600s) started
T01 << 1462356177.15337491 Symmetrize density (0.02603s) stopped
T01 << 1462356177.15382004 Pseudo density (1031.11046s) stopped
T01 >> 1462356177.15383911 Atomic density matrices (142.07997s) started
T01 << 1462356177.40427995 Atomic density matrices (142.33041s) stopped
T01 >> 1462356177.40432310 Multipole moments (2.31100s) started
T01 << 1462356177.40843296 Multipole moments (2.31511s) stopped
T01 >> 1462356177.40845490 Normalize (0.63616s) started
T01 << 1462356177.40948009 Normalize (0.63719s) stopped
T01 >> 1462356177.40951300 Mix (69.03709s) started
T01 << 1462356177.53084898 Mix (69.15842s) stopped
T01 << 1462356177.53095102 Density (1245.59154s) stopped
T01 >> 1462356177.53107500 Hamiltonian (14024.19273s) started
T01 >> 1462356177.53109503 vbar (8.47392s) started
T01 << 1462356177.54522800 vbar (8.48806s) stopped
T01 >> 1462356177.54536200 XC 3D grid (6072.08179s) started
T01 >> 1462356177.72254992 van der Waals (5861.34431s) started
T01 >> 1462356177.76533699 semilocal (1317.89942s) started
T01 << 1462356179.99192691 semilocal (1320.12601s) stopped
T01 >> 1462356180.02336097 redistribute (636.33621s) started
T01 << 1462356180.40204906 redistribute (636.71490s) stopped
T01 >> 1462356180.40211606 libvdwxc nonlocal (3862.26651s) started
T01 << 1462356187.29828000 libvdwxc nonlocal (3869.16267s) stopped
T01 >> 1462356187.29835701 redistribute (636.71494s) started
T01 << 1462356187.96312308 redistribute (637.37970s) stopped
T01 << 1462356187.96486712 van der Waals (5871.58662s) stopped
T01 << 1462356188.14192295 XC 3D grid (6082.67835s) stopped
T01 >> 1462356188.14199400 Poisson (1234.22946s) started
T01 << 1462356189.90149593 Poisson (1235.98896s) stopped
T01 >> 1462356189.90161395 Hartree integrate/restrict (48.11845s) started
T01 << 1462356189.91874194 Hartree integrate/restrict (48.13558s) stopped
T01 >> 1462356189.91885900 Hartree integrate/restrict (48.13566s) started
T01 << 1462356189.98241496 Hartree integrate/restrict (48.19922s) stopped
T01 >> 1462356190.00395703 Atomic (3733.02125s) started
T01 >> 1462356190.01384211 XC Correction (3725.32040s) started
T01 << 1462356196.31742907 XC Correction (3731.62399s) stopped
T01 << 1462356196.32046103 Atomic (3739.33776s) stopped
T01 >> 1462356196.32056403 Communicate (2915.65249s) started
T01 << 1462356201.28225803 Communicate (2920.61418s) stopped
T01 << 1462356201.28228211 Hamiltonian (14047.94393s) stopped
T01 >> 1462356201.28234792 LCAO eigensolver (5055.17131s) started
T01 >> 1462356201.28236103 Potential matrix (163.07575s) started
T01 << 1462356201.55212498 Potential matrix (163.34551s) stopped
T01 >> 1462356201.55219293 DistributedAtomicCorrection (840.33894s) started
T01 << 1462356202.90933895 DistributedAtomicCorrection (841.69609s) stopped
T01 >> 1462356202.90939307 Distribute overlap matrix (735.45743s) started
T01 >> 1462356202.90941501 blocked summation (697.52521s) started
T01 << 1462356204.03959703 blocked summation (698.65539s) stopped
T01 >> 1462356204.04124808 Scalapack redistribute (36.93035s) started
T01 << 1462356204.10147095 Scalapack redistribute (36.99057s) stopped
T01 << 1462356204.10155201 Distribute overlap matrix (736.64958s) stopped
T01 >> 1462356204.10216808 Blacs Orbital Layouts (1734.86126s) started
T01 >> 1462356204.10363412 General diagonalize (1700.14451s) started
T01 << 1462356206.80684400 General diagonalize (1702.84772s) stopped
T01 >> 1462356206.80691004 Redistribute coefs (1.90272s) started
T01 << 1462356206.81062508 Redistribute coefs (1.90643s) stopped
T01 >> 1462356206.81067491 Send coefs to domains (31.83592s) started
T01 << 1462356206.86474490 Send coefs to domains (31.88999s) stopped
T01 << 1462356206.86525893 Blacs Orbital Layouts (1737.62435s) stopped
T01 >> 1462356206.86531496 Calculate projections (1580.90343s) started
T01 << 1462356209.32550597 Calculate projections (1583.36363s) stopped
T01 << 1462356209.32578802 LCAO eigensolver (5063.21475s) stopped
T01 >> 1462356209.32651591 Density (1245.59156s) started
T01 >> 1462356209.32652903 Pseudo density (1031.11047s) started
T01 >> 1462356209.32697797 Calculate density matrix (926.90585s) started
T01 << 1462356210.95146608 Calculate density matrix (928.53034s) stopped
T01 >> 1462356210.95160294 Construct density (102.74220s) started
T01 << 1462356211.13209105 Construct density (102.92269s) stopped
T01 >> 1462356211.13381505 Symmetrize density (0.02604s) started
T01 << 1462356211.13384891 Symmetrize density (0.02608s) stopped
T01 << 1462356211.13427901 Pseudo density (1032.91822s) stopped
T01 >> 1462356211.13429904 Atomic density matrices (142.33044s) started
T01 << 1462356211.38393497 Atomic density matrices (142.58007s) stopped
T01 >> 1462356211.38397598 Multipole moments (2.31512s) started
T01 << 1462356211.38809204 Multipole moments (2.31924s) stopped
T01 >> 1462356211.38811493 Normalize (0.63721s) started
T01 << 1462356211.38913202 Normalize (0.63823s) stopped
T01 >> 1462356211.38916707 Mix (69.15852s) started
T01 << 1462356211.50905204 Mix (69.27841s) stopped
T01 << 1462356211.50910997 Density (1247.77416s) stopped
T01 >> 1462356211.50921512 Hamiltonian (14047.94395s) started
T01 >> 1462356211.50923610 vbar (8.48815s) started
T01 << 1462356211.52267098 vbar (8.50158s) stopped
T01 >> 1462356211.52278209 XC 3D grid (6082.67841s) started
T01 >> 1462356211.70040703 van der Waals (5871.58670s) started
T01 >> 1462356211.74174595 semilocal (1320.12613s) started
T01 << 1462356213.97757792 semilocal (1322.36196s) stopped
T01 >> 1462356214.00841093 redistribute (637.37981s) started
T01 << 1462356214.38440490 redistribute (637.75581s) stopped
T01 >> 1462356214.38447404 libvdwxc nonlocal (3869.16272s) started
T01 << 1462356220.92132306 libvdwxc nonlocal (3875.69957s) stopped
T01 >> 1462356220.92138100 redistribute (637.75585s) started
T01 << 1462356221.58673191 redistribute (638.42120s) stopped
T01 << 1462356221.58790588 van der Waals (5881.47420s) stopped
T01 << 1462356221.75850892 XC 3D grid (6092.91413s) stopped
T01 >> 1462356221.75855899 Poisson (1235.98905s) started
T01 << 1462356223.51685405 Poisson (1237.74734s) stopped
T01 >> 1462356223.51693797 Hartree integrate/restrict (48.19925s) started
T01 << 1462356223.53407693 Hartree integrate/restrict (48.21639s) stopped
T01 >> 1462356223.53413105 Hartree integrate/restrict (48.21642s) started
T01 << 1462356223.59832811 Hartree integrate/restrict (48.28062s) stopped
T01 >> 1462356223.62040997 Atomic (3739.33777s) started
T01 >> 1462356223.63039589 XC Correction (3731.62402s) started
T01 << 1462356229.93768811 XC Correction (3737.93131s) stopped
T01 << 1462356229.94072104 Atomic (3745.65808s) stopped
T01 >> 1462356229.94082594 Communicate (2920.61420s) started
T01 << 1462356234.89415789 Communicate (2925.56753s) stopped
T01 << 1462356234.89418101 Hamiltonian (14071.32891s) stopped
T01 >> 1462356234.89424706 LCAO eigensolver (5063.21477s) started
T01 >> 1462356234.89425993 Potential matrix (163.34555s) started
T01 << 1462356235.16218305 Potential matrix (163.61347s) stopped
T01 >> 1462356235.16225290 DistributedAtomicCorrection (841.69612s) started
T01 << 1462356236.52341294 DistributedAtomicCorrection (843.05728s) stopped
T01 >> 1462356236.52346706 Distribute overlap matrix (736.64960s) started
T01 >> 1462356236.52348900 blocked summation (698.65543s) started
T01 << 1462356237.65897393 blocked summation (699.79091s) stopped
T01 >> 1462356237.66126990 Scalapack redistribute (36.99061s) started
T01 << 1462356237.72034311 Scalapack redistribute (37.04968s) stopped
T01 << 1462356237.72042799 Distribute overlap matrix (737.84656s) stopped
T01 >> 1462356237.72103190 Blacs Orbital Layouts (1737.62437s) started
T01 >> 1462356237.72241092 General diagonalize (1702.84775s) started
T01 << 1462356240.42369008 General diagonalize (1705.54903s) stopped
T01 >> 1462356240.42375588 Redistribute coefs (1.90647s) started
T01 << 1462356240.42699504 Redistribute coefs (1.90971s) stopped
T01 >> 1462356240.42704296 Send coefs to domains (31.89008s) started
T01 << 1462356240.48098993 Send coefs to domains (31.94403s) stopped
T01 << 1462356240.48146009 Blacs Orbital Layouts (1740.38479s) stopped
T01 >> 1462356240.48151588 Calculate projections (1583.36368s) started
T01 << 1462356242.94185305 Calculate projections (1585.82402s) stopped
T01 << 1462356242.94229388 LCAO eigensolver (5071.26282s) stopped
T01 >> 1462356242.94301701 Density (1247.77417s) started
T01 >> 1462356242.94303012 Pseudo density (1032.91824s) started
T01 >> 1462356242.94348693 Calculate density matrix (928.53042s) started
T01 << 1462356244.56365108 Calculate density matrix (930.15058s) stopped
T01 >> 1462356244.56379008 Construct density (102.92272s) started
T01 << 1462356244.74497104 Construct density (103.10390s) stopped
T01 >> 1462356244.74725795 Symmetrize density (0.02609s) started
T01 << 1462356244.74729204 Symmetrize density (0.02612s) stopped
T01 << 1462356244.74773598 Pseudo density (1034.72294s) stopped
T01 >> 1462356244.74775505 Atomic density matrices (142.58010s) started
T01 << 1462356244.99620104 Atomic density matrices (142.82854s) stopped
T01 >> 1462356244.99627209 Multipole moments (2.31926s) started
T01 << 1462356245.00037909 Multipole moments (2.32336s) stopped
T01 >> 1462356245.00040102 Normalize (0.63825s) started
T01 << 1462356245.00141811 Normalize (0.63927s) stopped
T01 >> 1462356245.00145197 Mix (69.27846s) started
T01 << 1462356245.12227106 Mix (69.39928s) stopped
T01 << 1462356245.12232900 Density (1249.95348s) stopped
T01 >> 1462356245.12243295 Hamiltonian (14071.32893s) started
T01 >> 1462356245.12245297 vbar (8.50165s) started
T01 << 1462356245.13588309 vbar (8.51508s) stopped
T01 >> 1462356245.13598394 XC 3D grid (6092.91417s) started
T01 >> 1462356245.31249309 van der Waals (5881.47425s) started
T01 >> 1462356245.35501003 semilocal (1322.36204s) started
T01 << 1462356247.58359408 semilocal (1324.59062s) stopped
T01 >> 1462356247.61377311 redistribute (638.42126s) started
T01 << 1462356247.98614597 redistribute (638.79363s) stopped
T01 >> 1462356247.98621202 libvdwxc nonlocal (3875.69961s) started
T01 << 1462356254.53586102 libvdwxc nonlocal (3882.24926s) stopped
T01 >> 1462356254.53591895 redistribute (638.79367s) started
T01 << 1462356255.20205092 redistribute (639.45980s) stopped
T01 << 1462356255.20361805 van der Waals (5891.36538s) stopped
T01 << 1462356255.37706709 XC 3D grid (6103.15525s) stopped
T01 >> 1462356255.37711692 Poisson (1237.74741s) started
T01 << 1462356256.56147003 Poisson (1238.93176s) stopped
T01 >> 1462356256.56155801 Hartree integrate/restrict (48.28065s) started
T01 << 1462356256.57856488 Hartree integrate/restrict (48.29766s) stopped
T01 >> 1462356256.57866096 Hartree integrate/restrict (48.29773s) started
T01 << 1462356256.64303589 Hartree integrate/restrict (48.36211s) stopped
T01 >> 1462356256.66423106 Atomic (3745.65810s) started
T01 >> 1462356256.67418909 XC Correction (3737.93133s) started
T01 << 1462356262.97983003 XC Correction (3744.23697s) stopped
T01 << 1462356262.98286104 Atomic (3751.97673s) stopped
T01 >> 1462356262.98296499 Communicate (2925.56755s) started
T01 << 1462356267.94636393 Communicate (2930.53095s) stopped
T01 << 1462356267.94638705 Hamiltonian (14094.15288s) stopped
T01 >> 1462356267.94645500 LCAO eigensolver (5071.26284s) started
T01 >> 1462356267.94646811 Potential matrix (163.61350s) started
T01 << 1462356268.21689010 Potential matrix (163.88393s) stopped
T01 >> 1462356268.21695590 DistributedAtomicCorrection (843.05731s) started
T01 << 1462356269.57503295 DistributedAtomicCorrection (844.41539s) stopped
T01 >> 1462356269.57508707 Distribute overlap matrix (737.84657s) started
T01 >> 1462356269.57510900 blocked summation (699.79095s) started
T01 << 1462356270.68530202 blocked summation (700.90114s) stopped
T01 >> 1462356270.68693805 Scalapack redistribute (37.04972s) started
T01 << 1462356270.74624705 Scalapack redistribute (37.10903s) stopped
T01 << 1462356270.74632907 Distribute overlap matrix (739.01781s) stopped
T01 >> 1462356270.74692798 Blacs Orbital Layouts (1740.38481s) started
T01 >> 1462356270.74860191 General diagonalize (1705.54907s) started
T01 << 1462356273.45727992 General diagonalize (1708.25775s) stopped
T01 >> 1462356273.45734406 Redistribute coefs (1.90975s) started
T01 << 1462356273.46094203 Redistribute coefs (1.91335s) stopped
T01 >> 1462356273.46098995 Send coefs to domains (31.94410s) started
T01 << 1462356273.51432800 Send coefs to domains (31.99744s) stopped
T01 << 1462356273.51483011 Blacs Orbital Layouts (1743.15271s) stopped
T01 >> 1462356273.51488805 Calculate projections (1585.82408s) started
T01 << 1462356275.97524595 Calculate projections (1588.28444s) stopped
T01 << 1462356275.97552490 LCAO eigensolver (5079.29190s) stopped
T01 >> 1462356275.97624612 Density (1249.95350s) started
T01 >> 1462356275.97625804 Pseudo density (1034.72296s) started
T01 >> 1462356275.97671199 Calculate density matrix (930.15066s) started
T01 << 1462356277.59093499 Calculate density matrix (931.76488s) stopped
T01 >> 1462356277.59106493 Construct density (103.10393s) started
T01 << 1462356277.77190590 Construct density (103.28477s) stopped
T01 >> 1462356277.77418709 Symmetrize density (0.02613s) started
T01 << 1462356277.77422094 Symmetrize density (0.02617s) stopped
T01 << 1462356277.77465701 Pseudo density (1036.52136s) stopped
T01 >> 1462356277.77467704 Atomic density matrices (142.82860s) started
T01 << 1462356278.02324390 Atomic density matrices (143.07717s) stopped
T01 >> 1462356278.02328491 Multipole moments (2.32338s) started
T01 << 1462356278.02741003 Multipole moments (2.32750s) stopped
T01 >> 1462356278.02743196 Normalize (0.63929s) started
T01 << 1462356278.02845192 Normalize (0.64031s) stopped
T01 >> 1462356278.02848601 Mix (69.39934s) started
T01 << 1462356278.14911699 Mix (69.51997s) stopped
T01 << 1462356278.14917588 Density (1252.12643s) stopped
T01 >> 1462356278.14928007 Hamiltonian (14094.15289s) started
T01 >> 1462356278.14929891 vbar (8.51514s) started
T01 << 1462356278.16292500 vbar (8.52876s) stopped
T01 >> 1462356278.16304207 XC 3D grid (6103.15529s) started
T01 >> 1462356278.33997703 van der Waals (5891.36543s) started
T01 >> 1462356278.38204694 semilocal (1324.59069s) started
T01 << 1462356280.60500312 semilocal (1326.81365s) stopped
T01 >> 1462356280.63590097 redistribute (639.45986s) started
T01 << 1462356281.01104093 redistribute (639.83500s) stopped
T01 >> 1462356281.01110601 libvdwxc nonlocal (3882.24929s) started
T01 << 1462356287.56651902 libvdwxc nonlocal (3888.80470s) stopped
T01 >> 1462356287.56660891 redistribute (639.83504s) started
T01 << 1462356288.23377299 redistribute (640.50221s) stopped
T01 << 1462356288.23547101 van der Waals (5901.26092s) stopped
T01 << 1462356288.41198611 XC 3D grid (6113.40424s) stopped
T01 >> 1462356288.41204190 Poisson (1238.93182s) started
T01 << 1462356290.17556691 Poisson (1240.69535s) stopped
T01 >> 1462356290.17566395 Hartree integrate/restrict (48.36214s) started
T01 << 1462356290.19263411 Hartree integrate/restrict (48.37911s) stopped
T01 >> 1462356290.19269800 Hartree integrate/restrict (48.37916s) started
T01 << 1462356290.26222491 Hartree integrate/restrict (48.44868s) stopped
T01 >> 1462356290.27908111 Atomic (3751.97675s) started
T01 >> 1462356290.28910398 XC Correction (3744.23700s) started
T01 << 1462356296.62747407 XC Correction (3750.57537s) stopped
T01 << 1462356296.63050890 Atomic (3758.32818s) stopped
T01 >> 1462356296.63061309 Communicate (2930.53096s) started
T01 << 1462356301.64481902 Communicate (2935.54517s) stopped
T01 << 1462356301.64484310 Hamiltonian (14117.64846s) stopped
T01 >> 1462356301.64490891 LCAO eigensolver (5079.29192s) started
T01 >> 1462356301.64492106 Potential matrix (163.88396s) started
T01 << 1462356301.91297293 Potential matrix (164.15201s) stopped
T01 >> 1462356301.91303992 DistributedAtomicCorrection (844.41542s) started
T01 << 1462356303.26451492 DistributedAtomicCorrection (845.76690s) stopped
T01 >> 1462356303.26456809 Distribute overlap matrix (739.01783s) started
T01 >> 1462356303.26458907 blocked summation (700.90118s) started
T01 << 1462356304.38010192 blocked summation (702.01669s) stopped
T01 >> 1462356304.38175201 Scalapack redistribute (37.10906s) started
T01 << 1462356304.44191408 Scalapack redistribute (37.16923s) stopped
T01 << 1462356304.44199610 Distribute overlap matrix (740.19525s) stopped
T01 >> 1462356304.44260502 Blacs Orbital Layouts (1743.15273s) started
T01 >> 1462356304.44394898 General diagonalize (1708.25779s) started
T01 << 1462356307.17122006 General diagonalize (1710.98506s) stopped
T01 >> 1462356307.17128611 Redistribute coefs (1.91338s) started
T01 << 1462356307.17489195 Redistribute coefs (1.91699s) stopped
T01 >> 1462356307.17493892 Send coefs to domains (31.99752s) started
T01 << 1462356307.22919011 Send coefs to domains (32.05177s) stopped
T01 << 1462356307.22970700 Blacs Orbital Layouts (1745.93984s) stopped
T01 >> 1462356307.22976494 Calculate projections (1588.28450s) started
T01 << 1462356309.69149899 Calculate projections (1590.74623s) stopped
T01 << 1462356309.69179010 LCAO eigensolver (5087.33880s) stopped
T01 << 1462356309.69252205 SCF-cycle (20457.64123s) stopped
T01 >> 1462356310.61245799 Force calculation (1145.11122s) started
T01 >> 1462356310.61255193 LCAO forces (710.06929s) started
T01 >> 1462356310.61291194 Initial (0.00085s) started
T01 << 1462356310.61292291 Initial (0.00086s) stopped
T01 >> 1462356310.61725998 Get density matrix (138.62737s) started
T01 << 1462356311.20197296 Get density matrix (139.21208s) stopped
T01 >> 1462356311.20201993 Potential (50.93215s) started
T01 << 1462356312.64353395 Potential (52.37366s) stopped
T01 >> 1462356312.64357591 Get density matrix (139.21212s) started
T01 << 1462356315.94353294 Get density matrix (142.51207s) stopped
T01 >> 1462356315.94361091 Prepare TCI loop (69.86324s) started
T01 >> 1462356315.94414902 Get neighbors (64.84816s) started
T01 << 1462356317.77683902 Get neighbors (66.68085s) stopped
T01 >> 1462356317.77705693 broadcast dH (4.98913s) started
T01 << 1462356317.78720498 broadcast dH (4.99928s) stopped
T01 << 1462356317.78724909 Prepare TCI loop (71.70688s) stopped
T01 >> 1462356317.78726792 Not so complicated loop (99.98288s) started
T01 << 1462356320.49631095 Not so complicated loop (102.69193s) stopped
T01 >> 1462356320.62226105 Complicated loop (345.61314s) started
T01 << 1462356330.34112096 Complicated loop (355.33200s) stopped
T01 >> 1462356330.36222601 Wait for sum (0.00206s) started
T01 << 1462356330.36227393 Wait for sum (0.00211s) stopped
T01 << 1462356330.36228800 LCAO forces (729.81903s) stopped
T01 << 1462356342.44722700 Force calculation (1176.94599s) stopped
T01 >> 1462356342.46502805 Initialization (1902.50100s) started
T01 << 1462356342.46521711 Initialization (1902.50119s) stopped
T01 >> 1462356342.46549892 Initialization (1902.50121s) started
T01 << 1462356342.46564102 Initialization (1902.50135s) stopped
T01 >> 1462356342.46578789 Initialization (1902.50137s) started
T01 << 1462356342.46592999 Initialization (1902.50151s) stopped
T01 >> 1462356362.82051992 Initialization (1902.50153s) started
T01 >> 1462356362.87527609 Basic WFS set positions (3.66509s) started
T01 >> 1462356362.87530088 Redistribute (0.06843s) started
T01 << 1462356362.88101697 Redistribute (0.07414s) stopped
T01 << 1462356362.97997594 Basic WFS set positions (3.76979s) stopped
T01 >> 1462356362.98000789 Basis functions set positions (15.70286s) started
T01 << 1462356363.39033794 Basis functions set positions (16.11319s) stopped
T01 >> 1462356363.39124894 TCI: Calculate S, T, P (570.05705s) started
T01 << 1462356378.51605296 TCI: Calculate S, T, P (585.18185s) stopped
T01 >> 1462356378.51614809 blocked summation (151.07546s) started
T01 << 1462356382.48717594 blocked summation (155.04648s) stopped
T01 >> 1462356382.48878598 Scalapack redistribute (9.04059s) started
T01 << 1462356382.54665208 Scalapack redistribute (9.09845s) stopped
T01 >> 1462356382.54697704 blocked summation (155.04652s) started
T01 << 1462356382.72278500 blocked summation (155.22233s) stopped
T01 >> 1462356382.72440696 Scalapack redistribute (9.09849s) started
T01 << 1462356382.91941690 Scalapack redistribute (9.29350s) stopped
T01 >> 1462356382.92101693 Redistribute (0.07563s) started
T01 << 1462356382.92204809 Redistribute (0.07666s) stopped
T01 >> 1462356383.85644698 Redistribute (0.07668s) started
T01 << 1462356383.85831308 Redistribute (0.07855s) stopped
T01 >> 1462356383.86707711 LCAO WFS Initialize (1113.15321s) started
T01 >> 1462356383.86710596 Density initialize from wavefunctions (45.05280s) started
T01 >> 1462356383.86751103 Calculate density matrix (26.09967s) started
T01 << 1462356384.56635904 Calculate density matrix (26.79852s) stopped
T01 >> 1462356384.56646490 Construct density (6.44992s) started
T01 << 1462356384.74800491 Construct density (6.63146s) stopped
T01 >> 1462356384.74960995 Symmetrize density (0.00160s) started
T01 << 1462356384.74964595 Symmetrize density (0.00164s) stopped
T01 << 1462356385.08988500 Density initialize from wavefunctions (46.27558s) stopped
T01 >> 1462356385.09056306 Hamiltonian (1067.88383s) started
T01 >> 1462356385.09061003 vbar (0.55930s) started
T01 << 1462356385.10523510 vbar (0.57393s) stopped
T01 >> 1462356385.10534310 XC 3D grid (390.44621s) started
T01 >> 1462356385.28140092 van der Waals (376.90742s) started
T01 >> 1462356385.32315803 semilocal (84.21155s) started
T01 << 1462356387.55712008 semilocal (86.44551s) stopped
T01 >> 1462356387.58884001 redistribute (40.52039s) started
T01 << 1462356387.97035503 redistribute (40.90190s) stopped
T01 >> 1462356387.97042394 libvdwxc nonlocal (249.28909s) started
T01 << 1462356394.56225610 libvdwxc nonlocal (255.88092s) stopped
T01 >> 1462356394.56233692 redistribute (40.90194s) started
T01 << 1462356395.20501709 redistribute (41.54462s) stopped
T01 << 1462356395.20612192 van der Waals (386.83214s) stopped
T01 << 1462356395.38514996 XC 3D grid (400.72602s) stopped
T01 >> 1462356395.38519907 Poisson (179.48731s) started
T01 << 1462356400.04569888 Poisson (184.14781s) stopped
T01 >> 1462356400.04579210 Hartree integrate/restrict (3.06144s) started
T01 << 1462356400.06278896 Hartree integrate/restrict (3.07844s) stopped
T01 >> 1462356400.06287193 Hartree integrate/restrict (3.07850s) started
T01 << 1462356400.12630892 Hartree integrate/restrict (3.14193s) stopped
T01 >> 1462356400.14931989 Atomic (251.93509s) started
T01 >> 1462356400.15999794 XC Correction (251.42881s) started
T01 << 1462356406.84352303 XC Correction (258.11233s) stopped
T01 << 1462356406.84668303 Atomic (258.63245s) stopped
T01 >> 1462356406.84694791 Communicate (241.56976s) started
T01 << 1462356413.67533898 Communicate (248.39816s) stopped
T01 << 1462356413.67536306 Hamiltonian (1096.46863s) stopped
T01 << 1462356413.67541909 LCAO WFS Initialize (1142.96155s) stopped
T01 << 1462356413.68753195 Initialization (1953.36854s) stopped
T01 >> 1462356413.71262407 SCF-cycle (20457.64124s) started
T01 >> 1462356413.71266603 LCAO eigensolver (5087.33882s) started
T01 >> 1462356413.71267891 Potential matrix (164.15204s) started
T01 << 1462356413.97981596 Potential matrix (164.41918s) stopped
T01 >> 1462356413.97988605 DistributedAtomicCorrection (845.76693s) started
T01 << 1462356415.34988594 DistributedAtomicCorrection (847.13693s) stopped
T01 >> 1462356415.34996605 Distribute overlap matrix (740.19527s) started
T01 >> 1462356415.34998894 blocked summation (702.01673s) started
T01 << 1462356416.48232007 blocked summation (703.14906s) stopped
T01 >> 1462356416.48379898 Scalapack redistribute (37.16926s) started
T01 << 1462356416.54465699 Scalapack redistribute (37.23012s) stopped
T01 << 1462356416.54473209 Distribute overlap matrix (741.39003s) stopped
T01 >> 1462356416.54537106 Blacs Orbital Layouts (1745.93985s) started
T01 >> 1462356416.54758692 General diagonalize (1710.98510s) started
T01 << 1462356419.25979209 General diagonalize (1713.69730s) stopped
T01 >> 1462356419.25984192 Redistribute coefs (1.91703s) started
T01 << 1462356419.26257801 Redistribute coefs (1.91976s) stopped
T01 >> 1462356419.26262498 Send coefs to domains (32.05185s) started
T01 << 1462356419.31768608 Send coefs to domains (32.10691s) stopped
T01 << 1462356419.31846690 Blacs Orbital Layouts (1748.71295s) stopped
T01 >> 1462356419.31850195 Calculate projections (1590.74629s) started
T01 << 1462356421.80038404 Calculate projections (1593.22817s) stopped
T01 << 1462356421.80046797 LCAO eigensolver (5095.42663s) stopped
T01 >> 1462356421.80112600 Density (1252.12645s) started
T01 >> 1462356421.80113912 Pseudo density (1036.52137s) started
T01 >> 1462356421.80158806 Calculate density matrix (931.76496s) started
T01 << 1462356423.40471911 Calculate density matrix (933.36809s) stopped
T01 >> 1462356423.40482903 Construct density (103.28480s) started
T01 << 1462356423.58674407 Construct density (103.46671s) stopped
T01 >> 1462356423.58815908 Symmetrize density (0.02618s) started
T01 << 1462356423.58819294 Symmetrize density (0.02621s) stopped
T01 << 1462356423.58862901 Pseudo density (1038.30886s) stopped
T01 >> 1462356423.58865190 Atomic density matrices (143.07719s) started
T01 << 1462356423.83437300 Atomic density matrices (143.32292s) stopped
T01 >> 1462356423.83441305 Multipole moments (2.32752s) started
T01 << 1462356423.83832502 Multipole moments (2.33143s) stopped
T01 >> 1462356423.83834696 Normalize (0.64033s) started
T01 << 1462356423.83941007 Normalize (0.64140s) stopped
T01 >> 1462356423.83944511 Mix (69.52002s) started
T01 << 1462356423.94483900 Mix (69.62542s) stopped
T01 << 1462356423.94493794 Density (1254.27026s) stopped
T01 >> 1462356423.94505000 Hamiltonian (14117.64847s) started
T01 >> 1462356423.94506907 vbar (8.52883s) started
T01 << 1462356423.95873094 vbar (8.54249s) stopped
T01 >> 1462356423.95883989 XC 3D grid (6113.40428s) started
T01 >> 1462356424.13818908 van der Waals (5901.26102s) started
T01 >> 1462356424.17894197 semilocal (1326.81375s) started
T01 << 1462356426.39666200 semilocal (1329.03147s) stopped
T01 >> 1462356426.42715693 redistribute (640.50230s) started
T01 << 1462356426.81006789 redistribute (640.88521s) stopped
T01 >> 1462356426.81013489 libvdwxc nonlocal (3888.80476s) started
T01 << 1462356433.36315489 libvdwxc nonlocal (3895.35778s) stopped
T01 >> 1462356433.36322808 redistribute (640.88525s) started
T01 << 1462356434.01395607 redistribute (641.53598s) stopped
T01 << 1462356434.01508808 van der Waals (5911.13792s) stopped
T01 << 1462356434.19228506 XC 3D grid (6123.63773s) stopped
T01 >> 1462356434.19234610 Poisson (1240.69542s) started
T01 << 1462356435.96555805 Poisson (1242.46863s) stopped
T01 >> 1462356435.96563911 Hartree integrate/restrict (48.44873s) started
T01 << 1462356435.98269701 Hartree integrate/restrict (48.46578s) stopped
T01 >> 1462356435.98276210 Hartree integrate/restrict (48.46583s) started
T01 << 1462356436.04607391 Hartree integrate/restrict (48.52914s) stopped
T01 >> 1462356436.06913090 Atomic (3758.32819s) started
T01 >> 1462356436.07946491 XC Correction (3750.57539s) started
T01 << 1462356442.72905111 XC Correction (3757.22498s) stopped
T01 << 1462356442.73212004 Atomic (3764.99118s) stopped
T01 >> 1462356442.73227692 Communicate (2935.54518s) started
T01 << 1462356449.23339891 Communicate (2942.04631s) stopped
T01 << 1462356449.23342204 Hamiltonian (14142.93684s) stopped
T01 >> 1462356449.23349810 LCAO eigensolver (5095.42664s) started
T01 >> 1462356449.23351097 Potential matrix (164.41922s) started
T01 << 1462356449.50148892 Potential matrix (164.68720s) stopped
T01 >> 1462356449.50155592 DistributedAtomicCorrection (847.13696s) started
T01 << 1462356450.87453508 DistributedAtomicCorrection (848.50994s) stopped
T01 >> 1462356450.87461710 Distribute overlap matrix (741.39005s) started
T01 >> 1462356450.87463999 blocked summation (703.14911s) started
T01 << 1462356452.00771093 blocked summation (704.28218s) stopped
T01 >> 1462356452.00917506 Scalapack redistribute (37.23015s) started
T01 << 1462356452.06525993 Scalapack redistribute (37.28624s) stopped
T01 << 1462356452.06533504 Distribute overlap matrix (742.58076s) stopped
T01 >> 1462356452.06597996 Blacs Orbital Layouts (1748.71297s) started
T01 >> 1462356452.06747198 General diagonalize (1713.69734s) started
T01 << 1462356454.78888392 General diagonalize (1716.41875s) stopped
T01 >> 1462356454.78894901 Redistribute coefs (1.91980s) started
T01 << 1462356454.79171300 Redistribute coefs (1.92256s) stopped
T01 >> 1462356454.79180002 Send coefs to domains (32.10699s) started
T01 << 1462356454.84534097 Send coefs to domains (32.16053s) stopped
T01 << 1462356454.84588790 Blacs Orbital Layouts (1751.49288s) stopped
T01 >> 1462356454.84594011 Calculate projections (1593.22823s) started
T01 << 1462356457.32779694 Calculate projections (1595.71009s) stopped
T01 << 1462356457.32788205 LCAO eigensolver (5103.52102s) stopped
T01 >> 1462356457.32856202 Density (1254.27028s) started
T01 >> 1462356457.32857490 Pseudo density (1038.30888s) started
T01 >> 1462356457.32903004 Calculate density matrix (933.36816s) started
T01 << 1462356458.93107295 Calculate density matrix (934.97021s) stopped
T01 >> 1462356458.93118000 Construct density (103.46674s) started
T01 << 1462356459.11338997 Construct density (103.64895s) stopped
T01 >> 1462356459.11480594 Symmetrize density (0.02622s) started
T01 << 1462356459.11484003 Symmetrize density (0.02626s) stopped
T01 << 1462356459.11526990 Pseudo density (1040.09557s) stopped
T01 >> 1462356459.11528897 Atomic density matrices (143.32294s) started
T01 << 1462356459.36161709 Atomic density matrices (143.56927s) stopped
T01 >> 1462356459.36166000 Multipole moments (2.33145s) started
T01 << 1462356459.36560512 Multipole moments (2.33539s) stopped
T01 >> 1462356459.36562705 Normalize (0.64142s) started
T01 << 1462356459.36670089 Normalize (0.64249s) stopped
T01 >> 1462356459.36673689 Mix (69.62551s) started
T01 << 1462356459.47634292 Mix (69.73512s) stopped
T01 << 1462356459.47644496 Density (1256.41816s) stopped
T01 >> 1462356459.47655010 Hamiltonian (14142.93686s) started
T01 >> 1462356459.47656989 vbar (8.54256s) started
T01 << 1462356459.49021006 vbar (8.55620s) stopped
T01 >> 1462356459.49031210 XC 3D grid (6123.63778s) started
T01 >> 1462356459.67046404 van der Waals (5911.13799s) started
T01 >> 1462356459.71158195 semilocal (1329.03159s) started
T01 << 1462356461.92053103 semilocal (1331.24054s) stopped
T01 >> 1462356461.95221305 redistribute (641.53603s) started
T01 << 1462356462.34192991 redistribute (641.92575s) stopped
T01 >> 1462356462.34199691 libvdwxc nonlocal (3895.35784s) started
T01 << 1462356468.88948011 libvdwxc nonlocal (3901.90532s) stopped
T01 >> 1462356468.88956308 redistribute (641.92578s) started
T01 << 1462356469.53868389 redistribute (642.57490s) stopped
T01 << 1462356469.53986907 van der Waals (5921.00739s) stopped
T01 << 1462356469.72112608 XC 3D grid (6133.86859s) stopped
T01 >> 1462356469.72117209 Poisson (1242.46869s) started
T01 << 1462356471.49378490 Poisson (1244.24131s) stopped
T01 >> 1462356471.49388695 Hartree integrate/restrict (48.52919s) started
T01 << 1462356471.51102591 Hartree integrate/restrict (48.54633s) stopped
T01 >> 1462356471.51108599 Hartree integrate/restrict (48.54636s) started
T01 << 1462356471.57381010 Hartree integrate/restrict (48.60909s) stopped
T01 >> 1462356471.59754300 Atomic (3764.99120s) started
T01 >> 1462356471.60780692 XC Correction (3757.22500s) started
T01 << 1462356477.92026401 XC Correction (3763.53746s) stopped
T01 << 1462356477.92336607 Atomic (3771.31702s) stopped
T01 >> 1462356477.92352104 Communicate (2942.04632s) started
T01 << 1462356484.11278009 Communicate (2948.23558s) stopped
T01 << 1462356484.11280394 Hamiltonian (14167.57311s) stopped
T01 >> 1462356484.11287999 LCAO eigensolver (5103.52103s) started
T01 >> 1462356484.11289310 Potential matrix (164.68723s) started
T01 << 1462356484.38023591 Potential matrix (164.95457s) stopped
T01 >> 1462356484.38030195 DistributedAtomicCorrection (848.50998s) started
T01 << 1462356485.74996710 DistributedAtomicCorrection (849.87964s) stopped
T01 >> 1462356485.75004601 Distribute overlap matrix (742.58078s) started
T01 >> 1462356485.75006795 blocked summation (704.28222s) started
T01 << 1462356486.86880898 blocked summation (705.40096s) stopped
T01 >> 1462356486.87028503 Scalapack redistribute (37.28628s) started
T01 << 1462356486.92750001 Scalapack redistribute (37.34349s) stopped
T01 << 1462356486.92758107 Distribute overlap matrix (743.75831s) stopped
T01 >> 1462356486.92823100 Blacs Orbital Layouts (1751.49289s) started
T01 >> 1462356486.92975497 General diagonalize (1716.41879s) started
T01 << 1462356489.65136909 General diagonalize (1719.14041s) stopped
T01 >> 1462356489.65143394 Redistribute coefs (1.92260s) started
T01 << 1462356489.65417695 Redistribute coefs (1.92534s) stopped
T01 >> 1462356489.65422201 Send coefs to domains (32.16061s) started
T01 << 1462356489.70862603 Send coefs to domains (32.21502s) stopped
T01 << 1462356489.70918989 Blacs Orbital Layouts (1754.27385s) stopped
T01 >> 1462356489.70923805 Calculate projections (1595.71015s) started
T01 << 1462356492.19110703 Calculate projections (1598.19202s) stopped
T01 << 1462356492.19119191 LCAO eigensolver (5111.59935s) stopped
T01 >> 1462356492.19193411 Density (1256.41818s) started
T01 >> 1462356492.19194698 Pseudo density (1040.09559s) started
T01 >> 1462356492.19239593 Calculate density matrix (934.97028s) started
T01 << 1462356493.79733610 Calculate density matrix (936.57522s) stopped
T01 >> 1462356493.79751110 Construct density (103.64898s) started
T01 << 1462356493.97960591 Construct density (103.83107s) stopped
T01 >> 1462356493.98100805 Symmetrize density (0.02627s) started
T01 << 1462356493.98104191 Symmetrize density (0.02630s) stopped
T01 << 1462356493.98147607 Pseudo density (1041.88512s) stopped
T01 >> 1462356493.98149490 Atomic density matrices (143.56930s) started
T01 << 1462356494.22730398 Atomic density matrices (143.81511s) stopped
T01 >> 1462356494.22734594 Multipole moments (2.33541s) started
T01 << 1462356494.23127389 Multipole moments (2.33933s) stopped
T01 >> 1462356494.23129606 Normalize (0.64252s) started
T01 << 1462356494.23235798 Normalize (0.64358s) stopped
T01 >> 1462356494.23239398 Mix (69.73522s) started
T01 << 1462356494.34576607 Mix (69.84859s) stopped
T01 << 1462356494.34586596 Density (1258.57211s) stopped
T01 >> 1462356494.34597707 Hamiltonian (14167.57312s) started
T01 >> 1462356494.34599996 vbar (8.55626s) started
T01 << 1462356494.35932493 vbar (8.56958s) stopped
T01 >> 1462356494.35942411 XC 3D grid (6133.86862s) started
T01 >> 1462356494.53737497 van der Waals (5921.00743s) started
T01 >> 1462356494.57848692 semilocal (1331.24063s) started
T01 << 1462356496.81086111 semilocal (1333.47301s) stopped
T01 >> 1462356496.84130597 redistribute (642.57495s) started
T01 << 1462356497.22157001 redistribute (642.95521s) stopped
T01 >> 1462356497.22163701 libvdwxc nonlocal (3901.90538s) started
T01 << 1462356503.76937699 libvdwxc nonlocal (3908.45312s) stopped
T01 >> 1462356503.76945996 redistribute (642.95525s) started
T01 << 1462356504.41674399 redistribute (643.60253s) stopped
T01 << 1462356504.41794610 van der Waals (5930.88801s) stopped
T01 << 1462356504.59698391 XC 3D grid (6144.10618s) stopped
T01 >> 1462356504.59702992 Poisson (1244.24138s) started
T01 << 1462356506.95053792 Poisson (1246.59489s) stopped
T01 >> 1462356506.95061707 Hartree integrate/restrict (48.60913s) started
T01 << 1462356506.96773911 Hartree integrate/restrict (48.62625s) stopped
T01 >> 1462356506.96778893 Hartree integrate/restrict (48.62628s) started
T01 << 1462356507.03154898 Hartree integrate/restrict (48.69004s) stopped
T01 >> 1462356507.05406499 Atomic (3771.31704s) started
T01 >> 1462356507.06433702 XC Correction (3763.53748s) started
T01 << 1462356513.34954000 XC Correction (3769.82268s) stopped
T01 << 1462356513.35260606 Atomic (3777.61558s) stopped
T01 >> 1462356513.35276699 Communicate (2948.23560s) started
T01 << 1462356518.91883802 Communicate (2953.80167s) stopped
T01 << 1462356518.91886306 Hamiltonian (14192.14601s) stopped
T01 >> 1462356518.91893792 LCAO eigensolver (5111.59936s) started
T01 >> 1462356518.91895103 Potential matrix (164.95461s) started
T01 << 1462356519.18952298 Potential matrix (165.22518s) stopped
T01 >> 1462356519.18959999 DistributedAtomicCorrection (849.87968s) started
T01 << 1462356520.55445409 DistributedAtomicCorrection (851.24453s) stopped
T01 >> 1462356520.55452991 Distribute overlap matrix (743.75832s) started
T01 >> 1462356520.55455303 blocked summation (705.40100s) started
T01 << 1462356521.67505789 blocked summation (706.52150s) stopped
T01 >> 1462356521.67653108 Scalapack redistribute (37.34353s) started
T01 << 1462356521.73728991 Scalapack redistribute (37.40429s) stopped
T01 << 1462356521.73736596 Distribute overlap matrix (744.94116s) stopped
T01 >> 1462356521.73800492 Blacs Orbital Layouts (1754.27387s) started
T01 >> 1462356521.74021506 General diagonalize (1719.14045s) started
T01 << 1462356524.45546889 General diagonalize (1721.85570s) stopped
T01 >> 1462356524.45553493 Redistribute coefs (1.92538s) started
T01 << 1462356524.45829391 Redistribute coefs (1.92814s) stopped
T01 >> 1462356524.45837998 Send coefs to domains (32.21510s) started
T01 << 1462356524.51367903 Send coefs to domains (32.27040s) stopped
T01 << 1462356524.51450491 Blacs Orbital Layouts (1757.05037s) stopped
T01 >> 1462356524.51455307 Calculate projections (1598.19208s) started
T01 << 1462356526.99646497 Calculate projections (1600.67399s) stopped
T01 << 1462356526.99655104 LCAO eigensolver (5119.67697s) stopped
T01 >> 1462356526.99730206 Density (1258.57213s) started
T01 >> 1462356526.99731493 Pseudo density (1041.88513s) started
T01 >> 1462356526.99777102 Calculate density matrix (936.57534s) started
T01 << 1462356528.60977697 Calculate density matrix (938.18735s) stopped
T01 >> 1462356528.60990191 Construct density (103.83110s) started
T01 << 1462356528.79192710 Construct density (104.01312s) stopped
T01 >> 1462356528.79333305 Symmetrize density (0.02631s) started
T01 << 1462356528.79336596 Symmetrize density (0.02635s) stopped
T01 << 1462356528.79380894 Pseudo density (1043.68162s) stopped
T01 >> 1462356528.79382896 Atomic density matrices (143.81514s) started
T01 << 1462356529.03960609 Atomic density matrices (144.06091s) stopped
T01 >> 1462356529.03965092 Multipole moments (2.33935s) started
T01 << 1462356529.04354000 Multipole moments (2.34324s) stopped
T01 >> 1462356529.04356289 Normalize (0.64361s) started
T01 << 1462356529.04460597 Normalize (0.64465s) stopped
T01 >> 1462356529.04463911 Mix (69.84869s) started
T01 << 1462356529.16182709 Mix (69.96588s) stopped
T01 << 1462356529.16194105 Density (1260.73677s) stopped
T01 >> 1462356529.16205311 Hamiltonian (14192.14602s) started
T01 >> 1462356529.16207409 vbar (8.56964s) started
T01 << 1462356529.17560005 vbar (8.58317s) stopped
T01 >> 1462356529.17571902 XC 3D grid (6144.10622s) started
T01 >> 1462356529.35659790 van der Waals (5930.88807s) started
T01 >> 1462356529.39786506 semilocal (1333.47307s) started
T01 << 1462356531.61203003 semilocal (1335.68724s) stopped
T01 >> 1462356531.64242005 redistribute (643.60257s) started
T01 << 1462356532.04620600 redistribute (644.00636s) stopped
T01 >> 1462356532.04627395 libvdwxc nonlocal (3908.45318s) started
T01 << 1462356538.62155509 libvdwxc nonlocal (3915.02846s) stopped
T01 >> 1462356538.62163711 redistribute (644.00640s) started
T01 << 1462356539.27269101 redistribute (644.65745s) stopped
T01 << 1462356539.27385092 van der Waals (5940.80532s) stopped
T01 << 1462356539.45804691 XC 3D grid (6154.38855s) stopped
T01 >> 1462356539.45811892 Poisson (1246.59495s) started
T01 << 1462356541.80851197 Poisson (1248.94534s) stopped
T01 >> 1462356541.80863690 Hartree integrate/restrict (48.69008s) started
T01 << 1462356541.82589006 Hartree integrate/restrict (48.70733s) stopped
T01 >> 1462356541.82599497 Hartree integrate/restrict (48.70740s) started
T01 << 1462356541.88923407 Hartree integrate/restrict (48.77064s) stopped
T01 >> 1462356541.91258693 Atomic (3777.61560s) started
T01 >> 1462356541.92290711 XC Correction (3769.82271s) started
T01 << 1462356548.26591396 XC Correction (3776.16571s) stopped
T01 << 1462356548.26899409 Atomic (3783.97201s) stopped
T01 >> 1462356548.26915097 Communicate (2953.80168s) started
T01 << 1462356553.44956994 Communicate (2958.98210s) stopped
T01 << 1462356553.44959402 Hamiltonian (14216.43356s) stopped
T01 >> 1462356553.44967604 LCAO eigensolver (5119.67699s) started
T01 >> 1462356553.44969010 Potential matrix (165.22522s) started
T01 << 1462356553.71762609 Potential matrix (165.49316s) stopped
T01 >> 1462356553.71769595 DistributedAtomicCorrection (851.24457s) started
T01 << 1462356555.10612011 DistributedAtomicCorrection (852.63299s) stopped
T01 >> 1462356555.10619807 Distribute overlap matrix (744.94117s) started
T01 >> 1462356555.10622001 blocked summation (706.52154s) started
T01 << 1462356556.17999697 blocked summation (707.59532s) stopped
T01 >> 1462356556.18144989 Scalapack redistribute (37.40432s) started
T01 << 1462356556.24246907 Scalapack redistribute (37.46534s) stopped
T01 << 1462356556.24254298 Distribute overlap matrix (746.07752s) stopped
T01 >> 1462356556.24318194 Blacs Orbital Layouts (1757.05039s) started
T01 >> 1462356556.24466610 General diagonalize (1721.85574s) started
T01 << 1462356558.96981812 General diagonalize (1724.58089s) stopped
T01 >> 1462356558.96988297 Redistribute coefs (1.92817s) started
T01 << 1462356558.97368002 Redistribute coefs (1.93197s) stopped
T01 >> 1462356558.97372603 Send coefs to domains (32.27048s) started
T01 << 1462356559.02716589 Send coefs to domains (32.32392s) stopped
T01 << 1462356559.02772808 Blacs Orbital Layouts (1759.83494s) stopped
T01 >> 1462356559.02778196 Calculate projections (1600.67405s) started
T01 << 1462356561.50976205 Calculate projections (1603.15603s) stopped
T01 << 1462356561.50984597 LCAO eigensolver (5127.73716s) stopped
T01 >> 1462356561.51061296 Density (1260.73679s) started
T01 >> 1462356561.51062608 Pseudo density (1043.68164s) started
T01 >> 1462356561.51107907 Calculate density matrix (938.18742s) started
T01 << 1462356563.12785912 Calculate density matrix (939.80420s) stopped
T01 >> 1462356563.12799811 Construct density (104.01315s) started
T01 << 1462356563.31021810 Construct density (104.19537s) stopped
T01 >> 1462356563.31161189 Symmetrize density (0.02636s) started
T01 << 1462356563.31164908 Symmetrize density (0.02639s) stopped
T01 << 1462356563.31208110 Pseudo density (1045.48309s) stopped
T01 >> 1462356563.31210089 Atomic density matrices (144.06094s) started
T01 << 1462356563.55894494 Atomic density matrices (144.30779s) stopped
T01 >> 1462356563.55898595 Multipole moments (2.34325s) started
T01 << 1462356563.56289792 Multipole moments (2.34716s) stopped
T01 >> 1462356563.56292009 Normalize (0.64468s) started
T01 << 1462356563.56397796 Normalize (0.64573s) stopped
T01 >> 1462356563.56401300 Mix (69.96598s) started
T01 << 1462356563.68379211 Mix (70.08576s) stopped
T01 << 1462356563.68390799 Density (1262.91009s) stopped
T01 >> 1462356563.68404102 Hamiltonian (14216.43358s) started
T01 >> 1462356563.68406105 vbar (8.58324s) started
T01 << 1462356563.69746900 vbar (8.59665s) stopped
T01 >> 1462356563.69757390 XC 3D grid (6154.38861s) started
T01 >> 1462356563.87636709 van der Waals (5940.80534s) started
T01 >> 1462356563.91659594 semilocal (1335.68735s) started
T01 << 1462356566.14314890 semilocal (1337.91390s) stopped
T01 >> 1462356566.17508793 redistribute (644.65750s) started
T01 << 1462356566.55478191 redistribute (645.03719s) stopped
T01 >> 1462356566.55485010 libvdwxc nonlocal (3915.02852s) started
T01 << 1462356573.10067606 libvdwxc nonlocal (3921.57434s) stopped
T01 >> 1462356573.10073996 redistribute (645.03723s) started
T01 << 1462356573.76465106 redistribute (645.70114s) stopped
T01 << 1462356573.76623511 van der Waals (5950.69521s) stopped
T01 << 1462356573.93867803 XC 3D grid (6164.62971s) stopped
T01 >> 1462356573.93872809 Poisson (1248.94545s) started
T01 << 1462356576.29335499 Poisson (1251.30007s) stopped
T01 >> 1462356576.29343510 Hartree integrate/restrict (48.77070s) started
T01 << 1462356576.31047702 Hartree integrate/restrict (48.78774s) stopped
T01 >> 1462356576.31053901 Hartree integrate/restrict (48.78778s) started
T01 << 1462356576.37542605 Hartree integrate/restrict (48.85267s) stopped
T01 >> 1462356576.39527106 Atomic (3783.97202s) started
T01 >> 1462356576.40596390 XC Correction (3776.16574s) started
T01 << 1462356582.88556099 XC Correction (3782.64533s) stopped
T01 << 1462356582.88869500 Atomic (3790.46545s) stopped
T01 >> 1462356582.88885093 Communicate (2958.98212s) started
T01 << 1462356587.92412210 Communicate (2964.01739s) stopped
T01 << 1462356587.92414689 Hamiltonian (14240.67368s) stopped
T01 >> 1462356587.92421794 LCAO eigensolver (5127.73717s) started
T01 >> 1462356587.92423105 Potential matrix (165.49319s) started
T01 << 1462356588.19323301 Potential matrix (165.76220s) stopped
T01 >> 1462356588.19329906 DistributedAtomicCorrection (852.63302s) started
T01 << 1462356589.56578493 DistributedAtomicCorrection (854.00551s) stopped
T01 >> 1462356589.56586194 Distribute overlap matrix (746.07753s) started
T01 >> 1462356589.56588411 blocked summation (707.59536s) started
T01 << 1462356590.67978811 blocked summation (708.70927s) stopped
T01 >> 1462356590.68141699 Scalapack redistribute (37.46538s) started
T01 << 1462356590.73886800 Scalapack redistribute (37.52283s) stopped
T01 << 1462356590.73896003 Distribute overlap matrix (747.25063s) stopped
T01 >> 1462356590.73960590 Blacs Orbital Layouts (1759.83496s) started
T01 >> 1462356590.74114704 General diagonalize (1724.58093s) started
T01 << 1462356593.45822406 General diagonalize (1727.29801s) stopped
T01 >> 1462356593.45829010 Redistribute coefs (1.93201s) started
T01 << 1462356593.46200991 Redistribute coefs (1.93573s) stopped
T01 >> 1462356593.46205592 Send coefs to domains (32.32405s) started
T01 << 1462356593.51526093 Send coefs to domains (32.37725s) stopped
T01 << 1462356593.51577401 Blacs Orbital Layouts (1762.61113s) stopped
T01 >> 1462356593.51582599 Calculate projections (1603.15608s) started
T01 << 1462356595.99766588 Calculate projections (1605.63792s) stopped
T01 << 1462356595.99794793 LCAO eigensolver (5135.81090s) stopped
T01 >> 1462356595.99868488 Density (1262.91010s) started
T01 >> 1462356595.99869800 Pseudo density (1045.48311s) started
T01 >> 1462356595.99915290 Calculate density matrix (939.80428s) started
T01 << 1462356597.61994100 Calculate density matrix (941.42507s) stopped
T01 >> 1462356597.62006688 Construct density (104.19540s) started
T01 << 1462356597.80216908 Construct density (104.37750s) stopped
T01 >> 1462356597.80451012 Symmetrize density (0.02641s) started
T01 << 1462356597.80454493 Symmetrize density (0.02644s) stopped
T01 << 1462356597.80499411 Pseudo density (1047.28940s) stopped
T01 >> 1462356597.80501294 Atomic density matrices (144.30782s) started
T01 << 1462356598.05027294 Atomic density matrices (144.55308s) stopped
T01 >> 1462356598.05031395 Multipole moments (2.34718s) started
T01 << 1462356598.05423093 Multipole moments (2.35110s) stopped
T01 >> 1462356598.05425406 Normalize (0.64576s) started
T01 << 1462356598.05530405 Normalize (0.64681s) stopped
T01 >> 1462356598.05533910 Mix (70.08587s) started
T01 << 1462356598.17445803 Mix (70.20499s) stopped
T01 << 1462356598.17451310 Density (1265.08593s) stopped
T01 >> 1462356598.17463803 Hamiltonian (14240.67370s) started
T01 >> 1462356598.17466307 vbar (8.59671s) started
T01 << 1462356598.18865395 vbar (8.61070s) stopped
T01 >> 1462356598.18875194 XC 3D grid (6164.62975s) started
T01 >> 1462356598.36612296 van der Waals (5950.69531s) started
T01 >> 1462356598.40754390 semilocal (1337.91400s) started
T01 << 1462356600.63222790 semilocal (1340.13869s) stopped
T01 >> 1462356600.66194010 redistribute (645.70123s) started
T01 << 1462356601.04377007 redistribute (646.08306s) stopped
T01 >> 1462356601.04383707 libvdwxc nonlocal (3921.57438s) started
T01 << 1462356607.60064912 libvdwxc nonlocal (3928.13120s) stopped
T01 >> 1462356607.60072994 redistribute (646.08310s) started
T01 << 1462356608.26130104 redistribute (646.74367s) stopped
T01 << 1462356608.26288700 van der Waals (5960.59207s) stopped
T01 << 1462356608.43456697 XC 3D grid (6174.87556s) stopped
T01 >> 1462356608.43461299 Poisson (1251.30013s) started
T01 << 1462356610.78936505 Poisson (1253.65488s) stopped
T01 >> 1462356610.78947592 Hartree integrate/restrict (48.85270s) started
T01 << 1462356610.80649805 Hartree integrate/restrict (48.86973s) stopped
T01 >> 1462356610.80658007 Hartree integrate/restrict (48.86978s) started
T01 << 1462356610.87001109 Hartree integrate/restrict (48.93321s) stopped
T01 >> 1462356610.89225101 Atomic (3790.46546s) started
T01 >> 1462356610.90304089 XC Correction (3782.64536s) started
T01 << 1462356617.37579298 XC Correction (3789.11811s) stopped
T01 << 1462356617.37889791 Atomic (3796.95211s) stopped
T01 >> 1462356617.37905502 Communicate (2964.01741s) started
T01 << 1462356622.40844989 Communicate (2969.04680s) stopped
T01 << 1462356622.40847397 Hamiltonian (14264.90753s) stopped
T01 >> 1462356622.40854692 LCAO eigensolver (5135.81092s) started
T01 >> 1462356622.40856004 Potential matrix (165.76223s) started
T01 << 1462356622.67624807 Potential matrix (166.02992s) stopped
T01 >> 1462356622.67631507 DistributedAtomicCorrection (854.00554s) started
T01 << 1462356624.04614592 DistributedAtomicCorrection (855.37537s) stopped
T01 >> 1462356624.04622197 Distribute overlap matrix (747.25064s) started
T01 >> 1462356624.04624391 blocked summation (708.70931s) started
T01 << 1462356625.15851402 blocked summation (709.82158s) stopped
T01 >> 1462356625.16077495 Scalapack redistribute (37.52287s) started
T01 << 1462356625.21916604 Scalapack redistribute (37.58126s) stopped
T01 << 1462356625.21926498 Distribute overlap matrix (748.42368s) stopped
T01 >> 1462356625.21990490 Blacs Orbital Layouts (1762.61115s) started
T01 >> 1462356625.22148299 General diagonalize (1727.29805s) started
T01 << 1462356627.96540308 General diagonalize (1730.04197s) stopped
T01 >> 1462356627.96546793 Redistribute coefs (1.93576s) started
T01 << 1462356627.96866894 Redistribute coefs (1.93896s) stopped
T01 >> 1462356627.96871710 Send coefs to domains (32.37734s) started
T01 << 1462356628.02279997 Send coefs to domains (32.43142s) stopped
T01 << 1462356628.02332997 Blacs Orbital Layouts (1765.41457s) stopped
T01 >> 1462356628.02337503 Calculate projections (1605.63798s) started
T01 << 1462356630.50542808 Calculate projections (1608.12003s) stopped
T01 << 1462356630.50587201 LCAO eigensolver (5143.90824s) stopped
T01 >> 1462356630.50660396 Density (1265.08595s) started
T01 >> 1462356630.50661707 Pseudo density (1047.28942s) started
T01 >> 1462356630.50707603 Calculate density matrix (941.42514s) started
T01 << 1462356632.12633204 Calculate density matrix (943.04440s) stopped
T01 >> 1462356632.12645602 Construct density (104.37753s) started
T01 << 1462356632.30847311 Construct density (104.55955s) stopped
T01 >> 1462356632.31083298 Symmetrize density (0.02645s) started
T01 << 1462356632.31086707 Symmetrize density (0.02649s) stopped
T01 << 1462356632.31129909 Pseudo density (1049.09410s) stopped
T01 >> 1462356632.31131792 Atomic density matrices (144.55310s) started
T01 << 1462356632.55794001 Atomic density matrices (144.79973s) stopped
T01 >> 1462356632.55798006 Multipole moments (2.35111s) started
T01 << 1462356632.56189394 Multipole moments (2.35503s) stopped
T01 >> 1462356632.56191611 Normalize (0.64683s) started
T01 << 1462356632.56295490 Normalize (0.64787s) stopped
T01 >> 1462356632.56299090 Mix (70.20505s) started
T01 << 1462356632.68424892 Mix (70.32631s) stopped
T01 << 1462356632.68437195 Density (1267.26371s) stopped
T01 >> 1462356632.68450689 Hamiltonian (14264.90755s) started
T01 >> 1462356632.68452907 vbar (8.61076s) started
T01 << 1462356632.69804406 vbar (8.62427s) stopped
T01 >> 1462356632.69816208 XC 3D grid (6174.87560s) started
T01 >> 1462356632.87597990 van der Waals (5960.59219s) started
T01 >> 1462356632.91741800 semilocal (1340.13875s) started
T01 << 1462356635.14320588 semilocal (1342.36454s) stopped
T01 >> 1462356635.17289495 redistribute (646.74376s) started
T01 << 1462356635.55035400 redistribute (647.12122s) stopped
T01 >> 1462356635.55042291 libvdwxc nonlocal (3928.13125s) started
T01 << 1462356642.10079694 libvdwxc nonlocal (3934.68163s) stopped
T01 >> 1462356642.10085392 redistribute (647.12126s) started
T01 << 1462356642.76744699 redistribute (647.78785s) stopped
T01 << 1462356642.76891994 van der Waals (5970.48513s) stopped
T01 << 1462356642.93958402 XC 3D grid (6185.11702s) stopped
T01 >> 1462356642.93966103 Poisson (1253.65497s) started
T01 << 1462356644.71267509 Poisson (1255.42798s) stopped
T01 >> 1462356644.71278095 Hartree integrate/restrict (48.93325s) started
T01 << 1462356644.72980499 Hartree integrate/restrict (48.95027s) stopped
T01 >> 1462356644.72990894 Hartree integrate/restrict (48.95034s) started
T01 << 1462356644.79393196 Hartree integrate/restrict (49.01437s) stopped
T01 >> 1462356644.81666708 Atomic (3796.95213s) started
T01 >> 1462356644.82745600 XC Correction (3789.11813s) started
T01 << 1462356651.32070398 XC Correction (3795.61138s) stopped
T01 << 1462356651.32382798 Atomic (3803.45929s) stopped
T01 >> 1462356651.32398391 Communicate (2969.04682s) started
T01 << 1462356656.27472711 Communicate (2973.99756s) stopped
T01 << 1462356656.27475190 Hamiltonian (14288.49779s) stopped
T01 >> 1462356656.27482700 LCAO eigensolver (5143.90826s) started
T01 >> 1462356656.27484012 Potential matrix (166.02995s) started
T01 << 1462356656.54280710 Potential matrix (166.29792s) stopped
T01 >> 1462356656.54287505 DistributedAtomicCorrection (855.37541s) started
T01 << 1462356657.90807891 DistributedAtomicCorrection (856.74061s) stopped
T01 >> 1462356657.90815401 Distribute overlap matrix (748.42369s) started
T01 >> 1462356657.90817595 blocked summation (709.82161s) started
T01 << 1462356659.02672696 blocked summation (710.94016s) stopped
T01 >> 1462356659.02846909 Scalapack redistribute (37.58130s) started
T01 << 1462356659.08613491 Scalapack redistribute (37.63897s) stopped
T01 << 1462356659.08622193 Distribute overlap matrix (749.60176s) stopped
T01 >> 1462356659.08686709 Blacs Orbital Layouts (1765.41459s) started
T01 >> 1462356659.08909798 General diagonalize (1730.04200s) started
T01 << 1462356661.81614995 General diagonalize (1732.76906s) stopped
T01 >> 1462356661.81621504 Redistribute coefs (1.93900s) started
T01 << 1462356661.81956601 Redistribute coefs (1.94235s) stopped
T01 >> 1462356661.81961393 Send coefs to domains (32.43150s) started
T01 << 1462356661.87451196 Send coefs to domains (32.48640s) stopped
T01 << 1462356661.87530708 Blacs Orbital Layouts (1768.20303s) stopped
T01 >> 1462356661.87536001 Calculate projections (1608.12009s) started
T01 << 1462356664.35731697 Calculate projections (1610.60205s) stopped
T01 << 1462356664.35759807 LCAO eigensolver (5151.99103s) stopped
T01 >> 1462356664.35833192 Density (1267.26373s) started
T01 >> 1462356664.35834503 Pseudo density (1049.09411s) started
T01 >> 1462356664.35880089 Calculate density matrix (943.04447s) started
T01 << 1462356665.97900009 Calculate density matrix (944.66467s) stopped
T01 >> 1462356665.97912312 Construct density (104.55958s) started
T01 << 1462356666.16138911 Construct density (104.74184s) stopped
T01 >> 1462356666.16374707 Symmetrize density (0.02650s) started
T01 << 1462356666.16378188 Symmetrize density (0.02653s) stopped
T01 << 1462356666.16420698 Pseudo density (1050.89998s) stopped
T01 >> 1462356666.16422701 Atomic density matrices (144.79975s) started
T01 << 1462356666.40942907 Atomic density matrices (145.04496s) stopped
T01 >> 1462356666.40947104 Multipole moments (2.35504s) started
T01 << 1462356666.41340303 Multipole moments (2.35897s) stopped
T01 >> 1462356666.41342592 Normalize (0.64790s) started
T01 << 1462356666.41447806 Normalize (0.64895s) stopped
T01 >> 1462356666.41451406 Mix (70.32642s) started
T01 << 1462356666.53534389 Mix (70.44725s) stopped
T01 << 1462356666.53546405 Density (1269.44086s) stopped
T01 >> 1462356666.53560090 Hamiltonian (14288.49780s) started
T01 >> 1462356666.53561997 vbar (8.62434s) started
T01 << 1462356666.54911494 vbar (8.63784s) stopped
T01 >> 1462356666.54921889 XC 3D grid (6185.11708s) started
T01 >> 1462356666.72854900 van der Waals (5970.48523s) started
T01 >> 1462356666.76851606 semilocal (1342.36466s) started
T01 << 1462356668.99057698 semilocal (1344.58672s) stopped
T01 >> 1462356669.02211404 redistribute (647.78790s) started
T01 << 1462356669.40698504 redistribute (648.17277s) stopped
T01 >> 1462356669.40705299 libvdwxc nonlocal (3934.68166s) started
T01 << 1462356675.97616601 libvdwxc nonlocal (3941.25078s) stopped
T01 >> 1462356675.97622609 redistribute (648.17281s) started
T01 << 1462356676.63643789 redistribute (648.83303s) stopped
T01 << 1462356676.63804698 van der Waals (5980.39473s) stopped
T01 << 1462356676.80958200 XC 3D grid (6195.37744s) stopped
T01 >> 1462356676.80963206 Poisson (1255.42806s) started
T01 << 1462356678.58504701 Poisson (1257.20347s) stopped
T01 >> 1462356678.58514595 Hartree integrate/restrict (49.01440s) started
T01 << 1462356678.60221410 Hartree integrate/restrict (49.03147s) stopped
T01 >> 1462356678.60228395 Hartree integrate/restrict (49.03152s) started
T01 << 1462356678.67338395 Hartree integrate/restrict (49.10262s) stopped
T01 >> 1462356678.68835902 Atomic (3803.45931s) started
T01 >> 1462356678.69904089 XC Correction (3795.61141s) started
T01 << 1462356685.11645103 XC Correction (3802.02882s) stopped
T01 << 1462356685.11957908 Atomic (3809.89053s) stopped
T01 >> 1462356685.11974192 Communicate (2973.99758s) started
T01 << 1462356690.32080793 Communicate (2979.19864s) stopped
T01 << 1462356690.32083106 Hamiltonian (14312.28303s) stopped
T01 >> 1462356690.32093191 LCAO eigensolver (5151.99105s) started
T01 >> 1462356690.32094598 Potential matrix (166.29795s) started
T01 << 1462356690.58922291 Potential matrix (166.56623s) stopped
T01 >> 1462356690.58929110 DistributedAtomicCorrection (856.74064s) started
T01 << 1462356691.95057702 DistributedAtomicCorrection (858.10193s) stopped
T01 >> 1462356691.95065689 Distribute overlap matrix (749.60177s) started
T01 >> 1462356691.95068002 blocked summation (710.94020s) started
T01 << 1462356693.06967592 blocked summation (712.05920s) stopped
T01 >> 1462356693.07129312 Scalapack redistribute (37.63900s) started
T01 << 1462356693.13317990 Scalapack redistribute (37.70089s) stopped
T01 << 1462356693.13327408 Distribute overlap matrix (750.78439s) stopped
T01 >> 1462356693.13393211 Blacs Orbital Layouts (1768.20305s) started
T01 >> 1462356693.13546109 General diagonalize (1732.76910s) started
T01 << 1462356695.84475708 General diagonalize (1735.47839s) stopped
T01 >> 1462356695.84482193 Redistribute coefs (1.94239s) started
T01 << 1462356695.84859300 Redistribute coefs (1.94616s) stopped
T01 >> 1462356695.84863997 Send coefs to domains (32.48648s) started
T01 << 1462356695.90232611 Send coefs to domains (32.54017s) stopped
T01 << 1462356695.90285492 Blacs Orbital Layouts (1770.97197s) stopped
T01 >> 1462356695.90290308 Calculate projections (1610.60211s) started
T01 << 1462356698.38496089 Calculate projections (1613.08417s) stopped
T01 << 1462356698.38524199 LCAO eigensolver (5160.05536s) stopped
T01 >> 1462356698.38599396 Density (1269.44088s) started
T01 >> 1462356698.38600707 Pseudo density (1050.89999s) started
T01 >> 1462356698.38645792 Calculate density matrix (944.66474s) started
T01 << 1462356700.01170492 Calculate density matrix (946.28999s) stopped
T01 >> 1462356700.01183009 Construct density (104.74187s) started
T01 << 1462356700.19390512 Construct density (104.92395s) stopped
T01 >> 1462356700.19625497 Symmetrize density (0.02654s) started
T01 << 1462356700.19628906 Symmetrize density (0.02658s) stopped
T01 << 1462356700.19672799 Pseudo density (1052.71071s) stopped
T01 >> 1462356700.19674802 Atomic density matrices (145.04499s) started
T01 << 1462356700.44165802 Atomic density matrices (145.28990s) stopped
T01 >> 1462356700.44169807 Multipole moments (2.35899s) started
T01 << 1462356700.44566011 Multipole moments (2.36295s) stopped
T01 >> 1462356700.44568205 Normalize (0.64897s) started
T01 << 1462356700.44673896 Normalize (0.65003s) stopped
T01 >> 1462356700.44677496 Mix (70.44737s) started
T01 << 1462356700.56677198 Mix (70.56737s) stopped
T01 << 1462356700.56683207 Density (1271.62172s) stopped
T01 >> 1462356700.56695390 Hamiltonian (14312.28307s) started
T01 >> 1462356700.56697297 vbar (8.63790s) started
T01 << 1462356700.58108211 vbar (8.65201s) stopped
T01 >> 1462356700.58118296 XC 3D grid (6195.37748s) started
T01 >> 1462356700.76044703 van der Waals (5980.39480s) started
T01 >> 1462356700.80201697 semilocal (1344.58683s) started
T01 << 1462356703.02496290 semilocal (1346.80978s) stopped
T01 >> 1462356703.05558109 redistribute (648.83312s) started
T01 << 1462356703.43612099 redistribute (649.21366s) stopped
T01 >> 1462356703.43618989 libvdwxc nonlocal (3941.25081s) started
T01 << 1462356709.99004412 libvdwxc nonlocal (3947.80467s) stopped
T01 >> 1462356709.99011803 redistribute (649.21370s) started
T01 << 1462356710.65080309 redistribute (649.87438s) stopped
T01 << 1462356710.65216708 van der Waals (5990.28652s) stopped
T01 << 1462356710.82174706 XC 3D grid (6205.61805s) stopped
T01 >> 1462356710.82179403 Poisson (1257.20355s) started
T01 << 1462356712.59058094 Poisson (1258.97234s) stopped
T01 >> 1462356712.59066606 Hartree integrate/restrict (49.10267s) started
T01 << 1462356712.60778403 Hartree integrate/restrict (49.11979s) stopped
T01 >> 1462356712.60784602 Hartree integrate/restrict (49.11983s) started
T01 << 1462356712.67283607 Hartree integrate/restrict (49.18482s) stopped
T01 >> 1462356712.69532704 Atomic (3809.89054s) started
T01 >> 1462356712.70606709 XC Correction (3802.02884s) started
T01 << 1462356719.21165490 XC Correction (3808.53443s) stopped
T01 << 1462356719.21476889 Atomic (3816.40998s) stopped
T01 >> 1462356719.21492600 Communicate (2979.19866s) started
T01 << 1462356724.28748107 Communicate (2984.27121s) stopped
T01 << 1462356724.28750396 Hamiltonian (14336.00362s) stopped
T01 >> 1462356724.28758097 LCAO eigensolver (5160.05538s) started
T01 >> 1462356724.28759503 Potential matrix (166.56626s) started
T01 << 1462356724.55762410 Potential matrix (166.83629s) stopped
T01 >> 1462356724.55769396 DistributedAtomicCorrection (858.10196s) started
T01 << 1462356725.92873001 DistributedAtomicCorrection (859.47300s) stopped
T01 >> 1462356725.92880797 Distribute overlap matrix (750.78440s) started
T01 >> 1462356725.92882991 blocked summation (712.05924s) started
T01 << 1462356727.04093003 blocked summation (713.17134s) stopped
T01 >> 1462356727.04322004 Scalapack redistribute (37.70093s) started
T01 << 1462356727.09915209 Scalapack redistribute (37.75686s) stopped
T01 << 1462356727.09925008 Distribute overlap matrix (751.95484s) stopped
T01 >> 1462356727.09989810 Blacs Orbital Layouts (1770.97199s) started
T01 >> 1462356727.10148191 General diagonalize (1735.47843s) started
T01 << 1462356729.83448100 General diagonalize (1738.21143s) stopped
T01 >> 1462356729.83454490 Redistribute coefs (1.94619s) started
T01 << 1462356729.83777595 Redistribute coefs (1.94943s) stopped
T01 >> 1462356729.83782291 Send coefs to domains (32.54025s) started
T01 << 1462356729.89217710 Send coefs to domains (32.59460s) stopped
T01 << 1462356729.89271092 Blacs Orbital Layouts (1773.76480s) stopped
T01 >> 1462356729.89276004 Calculate projections (1613.08423s) started
T01 << 1462356732.37490106 Calculate projections (1615.56637s) stopped
T01 << 1462356732.37534094 LCAO eigensolver (5168.14314s) stopped
T01 >> 1462356732.37608099 Density (1271.62174s) started
T01 >> 1462356732.37609410 Pseudo density (1052.71073s) started
T01 >> 1462356732.37654400 Calculate density matrix (946.29006s) started
T01 << 1462356733.99775195 Calculate density matrix (947.91127s) stopped
T01 >> 1462356733.99788094 Construct density (104.92398s) started
T01 << 1462356734.17987394 Construct density (105.10597s) stopped
T01 >> 1462356734.18223095 Symmetrize density (0.02659s) started
T01 << 1462356734.18226504 Symmetrize density (0.02662s) stopped
T01 << 1462356734.18270898 Pseudo density (1054.51734s) stopped
T01 >> 1462356734.18272805 Atomic density matrices (145.28992s) started
T01 << 1462356734.42899609 Atomic density matrices (145.53619s) stopped
T01 >> 1462356734.42903709 Multipole moments (2.36297s) started
T01 << 1462356734.43298507 Multipole moments (2.36691s) stopped
T01 >> 1462356734.43300700 Normalize (0.65006s) started
T01 << 1462356734.43405890 Normalize (0.65111s) stopped
T01 >> 1462356734.43409491 Mix (70.56742s) started
T01 << 1462356734.55555391 Mix (70.68888s) stopped
T01 << 1462356734.55567002 Density (1273.80133s) stopped
T01 >> 1462356734.55580592 Hamiltonian (14336.00364s) started
T01 >> 1462356734.55582595 vbar (8.65207s) started
T01 << 1462356734.56959891 vbar (8.66584s) stopped
T01 >> 1462356734.56971002 XC 3D grid (6205.61808s) started
T01 >> 1462356734.74752092 van der Waals (5990.28657s) started
T01 >> 1462356734.78914499 semilocal (1346.80984s) started
T01 << 1462356737.00797892 semilocal (1349.02868s) stopped
T01 >> 1462356737.03892112 redistribute (649.87444s) started
T01 << 1462356737.42612004 redistribute (650.26164s) stopped
T01 >> 1462356737.42618895 libvdwxc nonlocal (3947.80472s) started
T01 << 1462356743.97207808 libvdwxc nonlocal (3954.35061s) stopped
T01 >> 1462356743.97215009 redistribute (650.26168s) started
T01 << 1462356744.63900089 redistribute (650.92853s) stopped
T01 << 1462356744.64050508 van der Waals (6000.17956s) stopped
T01 << 1462356744.80975509 XC 3D grid (6215.85813s) stopped
T01 >> 1462356744.80982995 Poisson (1258.97239s) started
T01 << 1462356746.00762796 Poisson (1260.17019s) stopped
T01 >> 1462356746.00773001 Hartree integrate/restrict (49.18485s) started
T01 << 1462356746.02477193 Hartree integrate/restrict (49.20189s) stopped
T01 >> 1462356746.02499795 Hartree integrate/restrict (49.20207s) started
T01 << 1462356746.08935595 Hartree integrate/restrict (49.26643s) stopped
T01 >> 1462356746.11294007 Atomic (3816.41000s) started
T01 >> 1462356746.12345910 XC Correction (3808.53445s) started
T01 << 1462356752.54110789 XC Correction (3814.95210s) stopped
T01 << 1462356752.54421806 Atomic (3822.84128s) stopped
T01 >> 1462356752.54437399 Communicate (2984.27123s) started
T01 << 1462356757.61262703 Communicate (2989.33948s) stopped
T01 << 1462356757.61265397 Hamiltonian (14359.06048s) stopped
T01 >> 1462356757.61272812 LCAO eigensolver (5168.14316s) started
T01 >> 1462356757.61274099 Potential matrix (166.83633s) started
T01 << 1462356757.88041902 Potential matrix (167.10401s) stopped
T01 >> 1462356757.88048410 DistributedAtomicCorrection (859.47303s) started
T01 << 1462356759.24647999 DistributedAtomicCorrection (860.83903s) stopped
T01 >> 1462356759.24655604 Distribute overlap matrix (751.95486s) started
T01 >> 1462356759.24657798 blocked summation (713.17138s) started
T01 << 1462356760.37023807 blocked summation (714.29504s) stopped
T01 >> 1462356760.37197304 Scalapack redistribute (37.75691s) started
T01 << 1462356760.42955804 Scalapack redistribute (37.81449s) stopped
T01 << 1462356760.42964101 Distribute overlap matrix (753.13794s) stopped
T01 >> 1462356760.43027711 Blacs Orbital Layouts (1773.76482s) started
T01 >> 1462356760.43249393 General diagonalize (1738.21147s) started
T01 << 1462356763.20747209 General diagonalize (1740.98645s) stopped
T01 >> 1462356763.20753694 Redistribute coefs (1.94946s) started
T01 << 1462356763.21082711 Redistribute coefs (1.95275s) stopped
T01 >> 1462356763.21087408 Send coefs to domains (32.59468s) started
T01 << 1462356763.26324391 Send coefs to domains (32.64705s) stopped
T01 << 1462356763.26389098 Blacs Orbital Layouts (1776.59843s) stopped
T01 >> 1462356763.26394510 Calculate projections (1615.56643s) started
T01 << 1462356765.74563193 Calculate projections (1618.04811s) stopped
T01 << 1462356765.74591494 LCAO eigensolver (5176.27635s) stopped
T01 >> 1462356765.74664903 Density (1273.80135s) started
T01 >> 1462356765.74666190 Pseudo density (1054.51736s) started
T01 >> 1462356765.74719310 Calculate density matrix (947.91135s) started
T01 << 1462356767.38651800 Calculate density matrix (949.55067s) stopped
T01 >> 1462356767.38660312 Construct density (105.10600s) started
T01 << 1462356767.56888008 Construct density (105.28827s) stopped
T01 >> 1462356767.57120991 Symmetrize density (0.02664s) started
T01 << 1462356767.57124305 Symmetrize density (0.02667s) stopped
T01 << 1462356767.57168603 Pseudo density (1056.34238s) stopped
T01 >> 1462356767.57170606 Atomic density matrices (145.53622s) started
T01 << 1462356767.81804490 Atomic density matrices (145.78256s) stopped
T01 >> 1462356767.81808090 Multipole moments (2.36693s) started
T01 << 1462356767.82236695 Multipole moments (2.37121s) stopped
T01 >> 1462356767.82238793 Normalize (0.65113s) started
T01 << 1462356767.82350802 Normalize (0.65225s) stopped
T01 >> 1462356767.82354403 Mix (70.68899s) started
T01 << 1462356767.94528508 Mix (70.81073s) stopped
T01 << 1462356767.94535708 Density (1276.00006s) stopped
T01 >> 1462356767.94547796 Hamiltonian (14359.06050s) started
T01 >> 1462356767.94550109 vbar (8.66591s) started
T01 << 1462356767.96090198 vbar (8.68131s) stopped
T01 >> 1462356767.96098709 XC 3D grid (6215.85819s) started
T01 >> 1462356768.14555097 van der Waals (6000.17964s) started
T01 >> 1462356768.18537402 semilocal (1349.02879s) started
T01 << 1462356770.40542293 semilocal (1351.24884s) stopped
T01 >> 1462356770.43731904 redistribute (650.92864s) started
T01 << 1462356770.83123493 redistribute (651.32255s) stopped
T01 >> 1462356770.83130193 libvdwxc nonlocal (3954.35066s) started
T01 << 1462356777.54648709 libvdwxc nonlocal (3961.06584s) stopped
T01 >> 1462356777.54656911 redistribute (651.32259s) started
T01 << 1462356778.20779896 redistribute (651.98382s) stopped
T01 << 1462356778.20918393 van der Waals (6010.24327s) stopped
T01 << 1462356778.38353992 XC 3D grid (6226.28074s) stopped
T01 >> 1462356778.38358998 Poisson (1260.17027s) started
T01 << 1462356779.58726192 Poisson (1261.37394s) stopped
T01 >> 1462356779.58735204 Hartree integrate/restrict (49.26646s) started
T01 << 1462356779.60623097 Hartree integrate/restrict (49.28534s) stopped
T01 >> 1462356779.60628295 Hartree integrate/restrict (49.28538s) started
T01 << 1462356779.67554903 Hartree integrate/restrict (49.35464s) stopped
T01 >> 1462356779.69195509 Atomic (3822.84130s) started
T01 >> 1462356779.70262098 XC Correction (3814.95213s) started
T01 << 1462356786.06799507 XC Correction (3821.31750s) stopped
T01 << 1462356786.07107091 Atomic (3829.22041s) stopped
T01 >> 1462356786.07122397 Communicate (2989.33950s) started
T01 << 1462356791.32684708 Communicate (2994.59512s) stopped
T01 << 1462356791.32687092 Hamiltonian (14382.44189s) stopped
T01 >> 1462356791.32694292 LCAO eigensolver (5176.27637s) started
T01 >> 1462356791.32695699 Potential matrix (167.10404s) started
T01 << 1462356791.59420991 Potential matrix (167.37129s) stopped
T01 >> 1462356791.59427691 DistributedAtomicCorrection (860.83906s) started
T01 << 1462356792.94747400 DistributedAtomicCorrection (862.19226s) stopped
T01 >> 1462356792.94754601 Distribute overlap matrix (753.13796s) started
T01 >> 1462356792.94756699 blocked summation (714.29507s) started
T01 << 1462356794.08648992 blocked summation (715.43400s) stopped
T01 >> 1462356794.08814502 Scalapack redistribute (37.81453s) started
T01 << 1462356794.14902210 Scalapack redistribute (37.87540s) stopped
T01 << 1462356794.14910293 Distribute overlap matrix (754.33952s) stopped
T01 >> 1462356794.14976311 Blacs Orbital Layouts (1776.59845s) started
T01 >> 1462356794.15152597 General diagonalize (1740.98648s) started
T01 << 1462356796.87050700 General diagonalize (1743.70547s) stopped
T01 >> 1462356796.87057209 Redistribute coefs (1.95279s) started
T01 << 1462356796.87429905 Redistribute coefs (1.95652s) stopped
T01 >> 1462356796.87434602 Send coefs to domains (32.64710s) started
T01 << 1462356796.92611909 Send coefs to domains (32.69887s) stopped
T01 << 1462356796.92646503 Blacs Orbital Layouts (1779.37516s) stopped
T01 >> 1462356796.92651391 Calculate projections (1618.04817s) started
T01 << 1462356799.40836692 Calculate projections (1620.53003s) stopped
T01 << 1462356799.40864491 LCAO eigensolver (5184.35807s) stopped
T01 >> 1462356799.40938306 Density (1276.00007s) started
T01 >> 1462356799.40939593 Pseudo density (1056.34239s) started
T01 >> 1462356799.40991592 Calculate density matrix (949.55072s) started
T01 << 1462356801.04749894 Calculate density matrix (951.18830s) stopped
T01 >> 1462356801.04758310 Construct density (105.28830s) started
T01 << 1462356801.22969890 Construct density (105.47042s) stopped
T01 >> 1462356801.23202610 Symmetrize density (0.02668s) started
T01 << 1462356801.23205996 Symmetrize density (0.02671s) stopped
T01 << 1462356801.23249507 Pseudo density (1058.16549s) stopped
T01 >> 1462356801.23251390 Atomic density matrices (145.78258s) started
T01 << 1462356801.47870398 Atomic density matrices (146.02877s) stopped
T01 >> 1462356801.47873902 Multipole moments (2.37123s) started
T01 << 1462356801.48303890 Multipole moments (2.37553s) stopped
T01 >> 1462356801.48306108 Normalize (0.65228s) started
T01 << 1462356801.48419404 Normalize (0.65341s) stopped
T01 >> 1462356801.48423004 Mix (70.81080s) started
T01 << 1462356801.60362697 Mix (70.93020s) stopped
T01 << 1462356801.60369897 Density (1278.19439s) stopped
T01 >> 1462356801.60380697 Hamiltonian (14382.44190s) started
T01 >> 1462356801.60382795 vbar (8.68136s) started
T01 << 1462356801.61959410 vbar (8.69712s) stopped
T01 >> 1462356801.61966991 XC 3D grid (6226.28078s) started
T01 >> 1462356801.79438400 van der Waals (6010.24332s) started
T01 >> 1462356801.83540702 semilocal (1351.24895s) started
T01 << 1462356804.05129004 semilocal (1353.46484s) stopped
T01 >> 1462356804.08247209 redistribute (651.98392s) started
T01 << 1462356804.46453810 redistribute (652.36598s) stopped
T01 >> 1462356804.46463108 libvdwxc nonlocal (3961.06590s) started
T01 << 1462356811.14592910 libvdwxc nonlocal (3967.74720s) stopped
T01 >> 1462356811.14599204 redistribute (652.36605s) started
T01 << 1462356811.81203604 redistribute (653.03209s) stopped
T01 << 1462356811.81361794 van der Waals (6020.26255s) stopped
T01 << 1462356811.98525095 XC 3D grid (6236.64636s) stopped
T01 >> 1462356811.98530102 Poisson (1261.37400s) started
T01 << 1462356813.19083691 Poisson (1262.57954s) stopped
T01 >> 1462356813.19092202 Hartree integrate/restrict (49.35469s) started
T01 << 1462356813.21001911 Hartree integrate/restrict (49.37378s) stopped
T01 >> 1462356813.21006489 Hartree integrate/restrict (49.37381s) started
T01 << 1462356813.27359796 Hartree integrate/restrict (49.43734s) stopped
T01 >> 1462356813.29519892 Atomic (3829.22043s) started
T01 >> 1462356813.30581188 XC Correction (3821.31752s) started
T01 << 1462356819.70339394 XC Correction (3827.71511s) stopped
T01 << 1462356819.70650792 Atomic (3835.63174s) stopped
T01 >> 1462356819.70666909 Communicate (2994.59514s) started
T01 << 1462356824.93023801 Communicate (2999.81870s) stopped
T01 << 1462356824.93025994 Hamiltonian (14405.76835s) stopped
T01 >> 1462356824.93033504 LCAO eigensolver (5184.35809s) started
T01 >> 1462356824.93034792 Potential matrix (167.37132s) started
T01 << 1462356825.19809699 Potential matrix (167.63907s) stopped
T01 >> 1462356825.19816208 DistributedAtomicCorrection (862.19228s) started
T01 << 1462356826.55702710 DistributedAtomicCorrection (863.55115s) stopped
T01 >> 1462356826.55709696 Distribute overlap matrix (754.33953s) started
T01 >> 1462356826.55711794 blocked summation (715.43403s) started
T01 << 1462356827.70340490 blocked summation (716.58032s) stopped
T01 >> 1462356827.70565605 Scalapack redistribute (37.87544s) started
T01 << 1462356827.76697493 Scalapack redistribute (37.93676s) stopped
T01 << 1462356827.76708102 Distribute overlap matrix (755.54951s) stopped
T01 >> 1462356827.76773190 Blacs Orbital Layouts (1779.37518s) started
T01 >> 1462356827.76932907 General diagonalize (1743.70550s) started
T01 << 1462356830.52385092 General diagonalize (1746.46003s) stopped
T01 >> 1462356830.52391505 Redistribute coefs (1.95655s) started
T01 << 1462356830.52709293 Redistribute coefs (1.95973s) stopped
T01 >> 1462356830.52714205 Send coefs to domains (32.69891s) started
T01 << 1462356830.57991195 Send coefs to domains (32.75168s) stopped
T01 << 1462356830.58024311 Blacs Orbital Layouts (1782.18769s) stopped
T01 >> 1462356830.58029103 Calculate projections (1620.53008s) started
T01 << 1462356833.06220007 Calculate projections (1623.01199s) stopped
T01 << 1462356833.06263089 LCAO eigensolver (5192.49038s) stopped
T01 << 1462356833.06336498 SCF-cycle (20876.99198s) stopped
T01 >> 1462356834.00442195 Force calculation (1176.94602s) started
T01 >> 1462356834.00448108 LCAO forces (729.81904s) started
T01 >> 1462356834.00483799 Initial (0.00087s) started
T01 << 1462356834.00484991 Initial (0.00088s) stopped
T01 >> 1462356834.00925589 Get density matrix (142.51212s) started
T01 << 1462356834.61137009 Get density matrix (143.11423s) stopped
T01 >> 1462356834.61144900 Potential (52.37369s) started
T01 << 1462356836.04002190 Potential (53.80226s) stopped
T01 >> 1462356836.04007292 Get density matrix (143.11427s) started
T01 << 1462356839.30303502 Get density matrix (146.37723s) stopped
T01 >> 1462356839.30318689 Prepare TCI loop (71.70689s) started
T01 >> 1462356839.30368710 Get neighbors (66.68089s) started
T01 << 1462356841.13102198 Get neighbors (68.50823s) stopped
T01 >> 1462356841.13123989 broadcast dH (4.99930s) started
T01 << 1462356841.14136600 broadcast dH (5.00943s) stopped
T01 << 1462356841.14141011 Prepare TCI loop (73.54512s) stopped
T01 >> 1462356841.14142799 Not so complicated loop (102.69196s) started
T01 << 1462356843.85774398 Not so complicated loop (105.40828s) stopped
T01 >> 1462356843.98246503 Complicated loop (355.33204s) started
T01 << 1462356853.69584799 Complicated loop (365.04542s) stopped
T01 >> 1462356853.71038604 Wait for sum (0.00213s) started
T01 << 1462356853.71043301 Wait for sum (0.00217s) stopped
T01 << 1462356853.71044588 LCAO forces (749.52500s) stopped
T01 << 1462356865.84490204 Force calculation (1208.78650s) stopped
T01 >> 1462356865.86299300 Initialization (1953.36856s) started
T01 << 1462356865.86319995 Initialization (1953.36877s) stopped
T01 >> 1462356865.86346006 Initialization (1953.36879s) started
T01 << 1462356865.86360192 Initialization (1953.36893s) stopped
T01 >> 1462356865.86375189 Initialization (1953.36894s) started
T01 << 1462356865.86389208 Initialization (1953.36908s) stopped
T01 >> 1462356886.19531298 Initialization (1953.36910s) started
T01 >> 1462356886.26088095 Basic WFS set positions (3.76981s) started
T01 >> 1462356886.26090908 Redistribute (0.07416s) started
T01 << 1462356886.26105499 Redistribute (0.07431s) stopped
T01 << 1462356886.36088610 Basic WFS set positions (3.86982s) stopped
T01 >> 1462356886.36091805 Basis functions set positions (16.11322s) started
T01 << 1462356886.78226805 Basis functions set positions (16.53457s) stopped
T01 >> 1462356886.78314590 TCI: Calculate S, T, P (585.18189s) started
T01 << 1462356901.98769403 TCI: Calculate S, T, P (600.38643s) stopped
T01 >> 1462356901.98779297 blocked summation (155.22237s) started
T01 << 1462356906.16660500 blocked summation (159.40118s) stopped
T01 >> 1462356906.16829801 Scalapack redistribute (9.29356s) started
T01 << 1462356906.22798896 Scalapack redistribute (9.35325s) stopped
T01 >> 1462356906.22831011 blocked summation (159.40124s) started
T01 << 1462356906.39750600 blocked summation (159.57043s) stopped
T01 >> 1462356906.39923692 Scalapack redistribute (9.35329s) started
T01 << 1462356906.60087991 Scalapack redistribute (9.55493s) stopped
T01 >> 1462356906.60232711 Redistribute (0.07861s) started
T01 << 1462356906.60331392 Redistribute (0.07959s) stopped
T01 >> 1462356907.53147507 Redistribute (0.07961s) started
T01 << 1462356907.53241801 Redistribute (0.08055s) stopped
T01 >> 1462356907.54267597 LCAO WFS Initialize (1142.96156s) started
T01 >> 1462356907.54270411 Density initialize from wavefunctions (46.27565s) started
T01 >> 1462356907.54314899 Calculate density matrix (26.79860s) started
T01 << 1462356908.25280190 Calculate density matrix (27.50825s) stopped
T01 >> 1462356908.25286794 Construct density (6.63148s) started
T01 << 1462356908.43386889 Construct density (6.81249s) stopped
T01 >> 1462356908.43546796 Symmetrize density (0.00165s) started
T01 << 1462356908.43549991 Symmetrize density (0.00168s) stopped
T01 << 1462356908.77949405 Density initialize from wavefunctions (47.51243s) stopped
T01 >> 1462356908.78021097 Hamiltonian (1096.46865s) started
T01 >> 1462356908.78025293 vbar (0.57399s) started
T01 << 1462356908.79513597 vbar (0.58888s) stopped
T01 >> 1462356908.79521108 XC 3D grid (400.72606s) started
T01 >> 1462356908.97855902 van der Waals (386.83220s) started
T01 >> 1462356909.01834202 semilocal (86.44561s) started
T01 << 1462356911.23996091 semilocal (88.66723s) stopped
T01 >> 1462356911.27185106 redistribute (41.54468s) started
T01 << 1462356911.65897202 redistribute (41.93180s) stopped
T01 >> 1462356911.65904093 libvdwxc nonlocal (255.88098s) started
T01 << 1462356918.36647296 libvdwxc nonlocal (262.58841s) stopped
T01 >> 1462356918.36653495 redistribute (41.93184s) started
T01 << 1462356919.01527405 redistribute (42.58057s) stopped
T01 << 1462356919.01641393 van der Waals (396.87005s) stopped
T01 << 1462356919.19700503 XC 3D grid (411.12785s) stopped
T01 >> 1462356919.19705391 Poisson (184.14789s) started
T01 << 1462356923.89418197 Poisson (188.84501s) stopped
T01 >> 1462356923.89426208 Hartree integrate/restrict (3.14197s) started
T01 << 1462356923.91343999 Hartree integrate/restrict (3.16115s) stopped
T01 >> 1462356923.91349292 Hartree integrate/restrict (3.16118s) started
T01 << 1462356923.97503901 Hartree integrate/restrict (3.22272s) stopped
T01 >> 1462356923.99945998 Atomic (258.63247s) started
T01 >> 1462356924.00994396 XC Correction (258.11236s) started
T01 << 1462356930.71134806 XC Correction (264.81376s) stopped
T01 << 1462356930.71450806 Atomic (265.34751s) stopped
T01 >> 1462356930.71477509 Communicate (248.39817s) started
T01 << 1462356937.16398406 Communicate (254.84738s) stopped
T01 << 1462356937.16400695 Hamiltonian (1124.85244s) stopped
T01 << 1462356937.16405892 LCAO WFS Initialize (1172.58294s) stopped
T01 << 1462356937.17603397 Initialization (2004.34982s) stopped
T01 >> 1462356937.20084691 SCF-cycle (20876.99200s) started
T01 >> 1462356937.20088506 LCAO eigensolver (5192.49040s) started
T01 >> 1462356937.20089793 Potential matrix (167.63911s) started
T01 << 1462356937.46838188 Potential matrix (167.90659s) stopped
T01 >> 1462356937.46845388 DistributedAtomicCorrection (863.55118s) started
T01 << 1462356938.84606600 DistributedAtomicCorrection (864.92879s) stopped
T01 >> 1462356938.84613895 Distribute overlap matrix (755.54953s) started
T01 >> 1462356938.84616089 blocked summation (716.58036s) started
T01 << 1462356940.00547409 blocked summation (717.73967s) stopped
T01 >> 1462356940.00692892 Scalapack redistribute (37.93681s) started
T01 << 1462356940.06421709 Scalapack redistribute (37.99410s) stopped
T01 << 1462356940.06429601 Distribute overlap matrix (756.76768s) stopped
T01 >> 1462356940.06487012 Blacs Orbital Layouts (1782.18770s) started
T01 >> 1462356940.06586790 General diagonalize (1746.46007s) started
T01 << 1462356942.78228593 General diagonalize (1749.17648s) stopped
T01 >> 1462356942.78233504 Redistribute coefs (1.95977s) started
T01 << 1462356942.78540111 Redistribute coefs (1.96284s) stopped
T01 >> 1462356942.78544593 Send coefs to domains (32.75173s) started
T01 << 1462356942.83758211 Send coefs to domains (32.80386s) stopped
T01 << 1462356942.83763909 Blacs Orbital Layouts (1784.96047s) stopped
T01 >> 1462356942.83767200 Calculate projections (1623.01205s) started
T01 << 1462356945.31930995 Calculate projections (1625.49369s) stopped
T01 << 1462356945.31939411 LCAO eigensolver (5200.60891s) stopped
T01 >> 1462356945.32022691 Density (1278.19440s) started
T01 >> 1462356945.32024002 Pseudo density (1058.16551s) started
T01 >> 1462356945.32063103 Calculate density matrix (951.18834s) started
T01 << 1462356946.91679192 Calculate density matrix (952.78450s) stopped
T01 >> 1462356946.91686606 Construct density (105.47044s) started
T01 << 1462356947.09753704 Construct density (105.65112s) stopped
T01 >> 1462356947.09910393 Symmetrize density (0.02672s) started
T01 << 1462356947.09913802 Symmetrize density (0.02676s) stopped
T01 << 1462356947.09960008 Pseudo density (1059.94487s) stopped
T01 >> 1462356947.09961891 Atomic density matrices (146.02880s) started
T01 << 1462356947.35099506 Atomic density matrices (146.28017s) stopped
T01 >> 1462356947.35103106 Multipole moments (2.37554s) started
T01 << 1462356947.35530996 Multipole moments (2.37982s) stopped
T01 >> 1462356947.35533190 Normalize (0.65344s) started
T01 << 1462356947.35640311 Normalize (0.65451s) stopped
T01 >> 1462356947.35643697 Mix (70.93027s) started
T01 << 1462356947.46406007 Mix (71.03789s) stopped
T01 << 1462356947.46415997 Density (1280.33834s) stopped
T01 >> 1462356947.46427894 Hamiltonian (14405.76837s) started
T01 >> 1462356947.46429801 vbar (8.69716s) started
T01 << 1462356947.47834802 vbar (8.71121s) stopped
T01 >> 1462356947.47842097 XC 3D grid (6236.64640s) started
T01 >> 1462356947.65449405 van der Waals (6020.26265s) started
T01 >> 1462356947.69597411 semilocal (1353.46492s) started
T01 << 1462356949.92266989 semilocal (1355.69162s) stopped
T01 >> 1462356949.95432806 redistribute (653.03221s) started
T01 << 1462356950.34031200 redistribute (653.41820s) stopped
T01 >> 1462356950.34037805 libvdwxc nonlocal (3967.74724s) started
T01 << 1462356957.05264091 libvdwxc nonlocal (3974.45950s) stopped
T01 >> 1462356957.05272698 redistribute (653.41823s) started
T01 << 1462356957.70189309 redistribute (654.06740s) stopped
T01 << 1462356957.70341301 van der Waals (6030.31157s) stopped
T01 << 1462356957.88530302 XC 3D grid (6247.05328s) stopped
T01 >> 1462356957.88536096 Poisson (1262.57960s) started
T01 << 1462356960.25619698 Poisson (1264.95044s) stopped
T01 >> 1462356960.25630093 Hartree integrate/restrict (49.43738s) started
T01 << 1462356960.27501798 Hartree integrate/restrict (49.45610s) stopped
T01 >> 1462356960.27515888 Hartree integrate/restrict (49.45619s) started
T01 << 1462356960.34311795 Hartree integrate/restrict (49.52415s) stopped
T01 >> 1462356960.35579205 Atomic (3835.63176s) started
T01 >> 1462356960.36583304 XC Correction (3827.71513s) started
T01 << 1462356967.05190110 XC Correction (3834.40120s) stopped
T01 << 1462356967.05495501 Atomic (3842.33092s) stopped
T01 >> 1462356967.05510592 Communicate (2999.81872s) started
T01 << 1462356973.25583410 Communicate (3006.01945s) stopped
T01 << 1462356973.25585794 Hamiltonian (14431.55995s) stopped
T01 >> 1462356973.25592995 LCAO eigensolver (5200.60893s) started
T01 >> 1462356973.25594211 Potential matrix (167.90663s) started
T01 << 1462356973.52384591 Potential matrix (168.17453s) stopped
T01 >> 1462356973.52391410 DistributedAtomicCorrection (864.92882s) started
T01 << 1462356974.90386605 DistributedAtomicCorrection (866.30877s) stopped
T01 >> 1462356974.90393710 Distribute overlap matrix (756.76769s) started
T01 >> 1462356974.90395904 blocked summation (717.73971s) started
T01 << 1462356976.07307911 blocked summation (718.90883s) stopped
T01 >> 1462356976.07454801 Scalapack redistribute (37.99413s) started
T01 << 1462356976.13430691 Scalapack redistribute (38.05389s) stopped
T01 << 1462356976.13438511 Distribute overlap matrix (757.99814s) stopped
T01 >> 1462356976.13496494 Blacs Orbital Layouts (1784.96049s) started
T01 >> 1462356976.13615608 General diagonalize (1749.17652s) started
T01 << 1462356978.83749890 General diagonalize (1751.87786s) stopped
T01 >> 1462356978.83754897 Redistribute coefs (1.96287s) started
T01 << 1462356978.84059000 Redistribute coefs (1.96591s) stopped
T01 >> 1462356978.84063411 Send coefs to domains (32.80391s) started
T01 << 1462356978.89283705 Send coefs to domains (32.85611s) stopped
T01 << 1462356978.89288902 Blacs Orbital Layouts (1787.71841s) stopped
T01 >> 1462356978.89294195 Calculate projections (1625.49375s) started
T01 << 1462356981.37479305 Calculate projections (1627.97560s) stopped
T01 << 1462356981.37487793 LCAO eigensolver (5208.72787s) stopped
T01 >> 1462356981.37554312 Density (1280.33836s) started
T01 >> 1462356981.37555599 Pseudo density (1059.94488s) started
T01 >> 1462356981.37595510 Calculate density matrix (952.78455s) started
T01 << 1462356982.97187400 Calculate density matrix (954.38046s) stopped
T01 >> 1462356982.97194290 Construct density (105.65114s) started
T01 << 1462356983.15377808 Construct density (105.83298s) stopped
T01 >> 1462356983.15518308 Symmetrize density (0.02677s) started
T01 << 1462356983.15521789 Symmetrize density (0.02681s) stopped
T01 << 1462356983.15568399 Pseudo density (1061.72501s) stopped
T01 >> 1462356983.15570402 Atomic density matrices (146.28020s) started
T01 << 1462356983.40355897 Atomic density matrices (146.52805s) stopped
T01 >> 1462356983.40359402 Multipole moments (2.37983s) started
T01 << 1462356983.40792489 Multipole moments (2.38417s) stopped
T01 >> 1462356983.40794706 Normalize (0.65454s) started
T01 << 1462356983.40900612 Normalize (0.65559s) stopped
T01 >> 1462356983.40904093 Mix (71.03798s) started
T01 << 1462356983.51890612 Mix (71.14785s) stopped
T01 << 1462356983.51896596 Density (1282.48178s) stopped
T01 >> 1462356983.51906610 Hamiltonian (14431.55996s) started
T01 >> 1462356983.51908398 vbar (8.71126s) started
T01 << 1462356983.53371310 vbar (8.72588s) stopped
T01 >> 1462356983.53377509 XC 3D grid (6247.05332s) started
T01 >> 1462356983.71034002 van der Waals (6030.31161s) started
T01 >> 1462356983.75146294 semilocal (1355.69171s) started
T01 << 1462356985.96406007 semilocal (1357.90431s) stopped
T01 >> 1462356985.99501991 redistribute (654.06745s) started
T01 << 1462356986.37544799 redistribute (654.44788s) stopped
T01 >> 1462356986.37551403 libvdwxc nonlocal (3974.45957s) started
T01 << 1462356993.08385801 libvdwxc nonlocal (3981.16791s) stopped
T01 >> 1462356993.08391404 redistribute (654.44792s) started
T01 << 1462356993.73763704 redistribute (655.10164s) stopped
T01 << 1462356993.73901391 van der Waals (6040.34029s) stopped
T01 << 1462356993.92027497 XC 3D grid (6257.43982s) stopped
T01 >> 1462356993.92032003 Poisson (1264.95052s) started
T01 << 1462356996.28558612 Poisson (1267.31579s) stopped
T01 >> 1462356996.28566194 Hartree integrate/restrict (49.52420s) started
T01 << 1462356996.30483508 Hartree integrate/restrict (49.54337s) stopped
T01 >> 1462356996.30493307 Hartree integrate/restrict (49.54344s) started
T01 << 1462356996.36650610 Hartree integrate/restrict (49.60501s) stopped
T01 >> 1462356996.39090610 Atomic (3842.33094s) started
T01 >> 1462356996.40086198 XC Correction (3834.40122s) started
T01 << 1462357002.72003794 XC Correction (3840.72040s) stopped
T01 << 1462357002.72310710 Atomic (3848.66314s) stopped
T01 >> 1462357002.72325802 Communicate (3006.01946s) started
T01 << 1462357008.65071797 Communicate (3011.94692s) stopped
T01 << 1462357008.65074205 Hamiltonian (14456.69163s) stopped
T01 >> 1462357008.65081406 LCAO eigensolver (5208.72789s) started
T01 >> 1462357008.65082693 Potential matrix (168.17457s) started
T01 << 1462357008.91902995 Potential matrix (168.44277s) stopped
T01 >> 1462357008.91909504 DistributedAtomicCorrection (866.30880s) started
T01 << 1462357010.28891110 DistributedAtomicCorrection (867.67861s) stopped
T01 >> 1462357010.28898311 Distribute overlap matrix (757.99815s) started
T01 >> 1462357010.28900504 blocked summation (718.90887s) started
T01 << 1462357011.45610690 blocked summation (720.07597s) stopped
T01 >> 1462357011.45758104 Scalapack redistribute (38.05393s) started
T01 << 1462357011.51889706 Scalapack redistribute (38.11524s) stopped
T01 << 1462357011.51897407 Distribute overlap matrix (759.22815s) stopped
T01 >> 1462357011.51955009 Blacs Orbital Layouts (1787.71843s) started
T01 >> 1462357011.52073693 General diagonalize (1751.87790s) started
T01 << 1462357014.21080089 General diagonalize (1754.56797s) stopped
T01 >> 1462357014.21085095 Redistribute coefs (1.96595s) started
T01 << 1462357014.21404290 Redistribute coefs (1.96914s) stopped
T01 >> 1462357014.21408606 Send coefs to domains (32.85615s) started
T01 << 1462357014.26658797 Send coefs to domains (32.90866s) stopped
T01 << 1462357014.26664209 Blacs Orbital Layouts (1790.46552s) stopped
T01 >> 1462357014.26670289 Calculate projections (1627.97566s) started
T01 << 1462357016.74871993 Calculate projections (1630.45767s) stopped
T01 << 1462357016.74880099 LCAO eigensolver (5216.82587s) stopped
T01 >> 1462357016.74952793 Density (1282.48180s) started
T01 >> 1462357016.74954009 Pseudo density (1061.72502s) started
T01 >> 1462357016.74993992 Calculate density matrix (954.38051s) started
T01 << 1462357018.34599710 Calculate density matrix (955.97657s) stopped
T01 >> 1462357018.34606194 Construct density (105.83301s) started
T01 << 1462357018.52712989 Construct density (106.01407s) stopped
T01 >> 1462357018.52854109 Symmetrize density (0.02682s) started
T01 << 1462357018.52857590 Symmetrize density (0.02685s) stopped
T01 << 1462357018.52903700 Pseudo density (1063.50452s) stopped
T01 >> 1462357018.52905703 Atomic density matrices (146.52808s) started
T01 << 1462357018.77768397 Atomic density matrices (146.77670s) stopped
T01 >> 1462357018.77771997 Multipole moments (2.38418s) started
T01 << 1462357018.78201008 Multipole moments (2.38847s) stopped
T01 >> 1462357018.78203201 Normalize (0.65562s) started
T01 << 1462357018.78310299 Normalize (0.65669s) stopped
T01 >> 1462357018.78313804 Mix (71.14791s) started
T01 << 1462357018.89595699 Mix (71.26073s) stopped
T01 << 1462357018.89606190 Density (1284.62833s) stopped
T01 >> 1462357018.89617300 Hamiltonian (14456.69165s) started
T01 >> 1462357018.89619398 vbar (8.72592s) started
T01 << 1462357018.91070700 vbar (8.74043s) stopped
T01 >> 1462357018.91077805 XC 3D grid (6257.43986s) started
T01 >> 1462357019.08874798 van der Waals (6040.34033s) started
T01 >> 1462357019.12877893 semilocal (1357.90441s) started
T01 << 1462357021.32332397 semilocal (1360.09896s) stopped
T01 >> 1462357021.35747290 redistribute (655.10169s) started
T01 << 1462357021.76159692 redistribute (655.50581s) stopped
T01 >> 1462357021.76166606 libvdwxc nonlocal (3981.16796s) started
T01 << 1462357028.46909308 libvdwxc nonlocal (3987.87538s) stopped
T01 >> 1462357028.46914792 redistribute (655.50585s) started
T01 << 1462357029.12369800 redistribute (656.16040s) stopped
T01 << 1462357029.12489295 van der Waals (6050.37648s) stopped
T01 << 1462357029.30511594 XC 3D grid (6267.83420s) stopped
T01 >> 1462357029.30516410 Poisson (1267.31584s) started
T01 << 1462357031.67198300 Poisson (1269.68266s) stopped
T01 >> 1462357031.67206311 Hartree integrate/restrict (49.60505s) started
T01 << 1462357031.69123602 Hartree integrate/restrict (49.62422s) stopped
T01 >> 1462357031.69128609 Hartree integrate/restrict (49.62425s) started
T01 << 1462357031.75136495 Hartree integrate/restrict (49.68433s) stopped
T01 >> 1462357031.77137899 Atomic (3848.66315s) started
T01 >> 1462357031.78135991 XC Correction (3840.72042s) started
T01 << 1462357037.97871208 XC Correction (3846.91777s) stopped
T01 << 1462357037.98177910 Atomic (3854.87355s) stopped
T01 >> 1462357037.98192906 Communicate (3011.94694s) started
T01 << 1462357043.48886395 Communicate (3017.45387s) stopped
T01 << 1462357043.48888803 Hamiltonian (14481.28436s) stopped
T01 >> 1462357043.48896194 LCAO eigensolver (5216.82589s) started
T01 >> 1462357043.48897600 Potential matrix (168.44280s) started
T01 << 1462357043.75766206 Potential matrix (168.71149s) stopped
T01 >> 1462357043.75772691 DistributedAtomicCorrection (867.67864s) started
T01 << 1462357045.12711191 DistributedAtomicCorrection (869.04803s) stopped
T01 >> 1462357045.12718606 Distribute overlap matrix (759.22816s) started
T01 >> 1462357045.12720704 blocked summation (720.07601s) started
T01 << 1462357046.29827690 blocked summation (721.24708s) stopped
T01 >> 1462357046.29976296 Scalapack redistribute (38.11528s) started
T01 << 1462357046.35711908 Scalapack redistribute (38.17263s) stopped
T01 << 1462357046.35719705 Distribute overlap matrix (760.45817s) stopped
T01 >> 1462357046.35776496 Blacs Orbital Layouts (1790.46553s) started
T01 >> 1462357046.35864806 General diagonalize (1754.56800s) started
T01 << 1462357049.05941200 General diagonalize (1757.26877s) stopped
T01 >> 1462357049.05946302 Redistribute coefs (1.96917s) started
T01 << 1462357049.06246710 Redistribute coefs (1.97217s) stopped
T01 >> 1462357049.06251001 Send coefs to domains (32.90870s) started
T01 << 1462357049.11418605 Send coefs to domains (32.96037s) stopped
T01 << 1462357049.11423993 Blacs Orbital Layouts (1793.22201s) stopped
T01 >> 1462357049.11429191 Calculate projections (1630.45773s) started
T01 << 1462357051.59613299 Calculate projections (1632.93957s) stopped
T01 << 1462357051.59621692 LCAO eigensolver (5224.93314s) stopped
T01 >> 1462357051.59712410 Density (1284.62835s) started
T01 >> 1462357051.59713697 Pseudo density (1063.50454s) started
T01 >> 1462357051.59752989 Calculate density matrix (955.97661s) started
T01 << 1462357053.19707799 Calculate density matrix (957.57616s) stopped
T01 >> 1462357053.19716191 Construct density (106.01410s) started
T01 << 1462357053.37791896 Construct density (106.19486s) stopped
T01 >> 1462357053.37951303 Symmetrize density (0.02686s) started
T01 << 1462357053.37954593 Symmetrize density (0.02690s) stopped
T01 << 1462357053.38000894 Pseudo density (1065.28741s) stopped
T01 >> 1462357053.38002896 Atomic density matrices (146.77673s) started
T01 << 1462357053.62856293 Atomic density matrices (147.02526s) stopped
T01 >> 1462357053.62859893 Multipole moments (2.38848s) started
T01 << 1462357053.63291311 Multipole moments (2.39280s) stopped
T01 >> 1462357053.63293505 Normalize (0.65671s) started
T01 << 1462357053.63399506 Normalize (0.65777s) stopped
T01 >> 1462357053.63403010 Mix (71.26083s) started
T01 << 1462357053.75123906 Mix (71.37804s) stopped
T01 << 1462357053.75135899 Density (1286.78258s) stopped
T01 >> 1462357053.75148296 Hamiltonian (14481.28438s) started
T01 >> 1462357053.75150394 vbar (8.74047s) started
T01 << 1462357053.76589108 vbar (8.75486s) stopped
T01 >> 1462357053.76596308 XC 3D grid (6267.83423s) started
T01 >> 1462357053.94228005 van der Waals (6050.37654s) started
T01 >> 1462357053.98342109 semilocal (1360.09908s) started
T01 << 1462357056.20311308 semilocal (1362.31877s) stopped
T01 >> 1462357056.23456001 redistribute (656.16045s) started
T01 << 1462357056.62018108 redistribute (656.54607s) stopped
T01 >> 1462357056.62024689 libvdwxc nonlocal (3987.87543s) started
T01 << 1462357063.32800198 libvdwxc nonlocal (3994.58318s) stopped
T01 >> 1462357063.32808495 redistribute (656.54611s) started
T01 << 1462357063.97735190 redistribute (657.19537s) stopped
T01 << 1462357063.97875190 van der Waals (6060.41301s) stopped
T01 << 1462357064.15980697 XC 3D grid (6278.22808s) stopped
T01 >> 1462357064.15985990 Poisson (1269.68272s) started
T01 << 1462357066.52976108 Poisson (1272.05262s) stopped
T01 >> 1462357066.52988100 Hartree integrate/restrict (49.68437s) started
T01 << 1462357066.54876494 Hartree integrate/restrict (49.70325s) stopped
T01 >> 1462357066.54887390 Hartree integrate/restrict (49.70333s) started
T01 << 1462357066.61152601 Hartree integrate/restrict (49.76598s) stopped
T01 >> 1462357066.62869692 Atomic (3854.87357s) started
T01 >> 1462357066.63869810 XC Correction (3846.91780s) started
T01 << 1462357072.87843394 XC Correction (3853.15753s) stopped
T01 << 1462357072.88149500 Atomic (3861.12637s) stopped
T01 >> 1462357072.88164711 Communicate (3017.45389s) started
T01 << 1462357077.80461192 Communicate (3022.37685s) stopped
T01 << 1462357077.80464101 Hamiltonian (14505.33753s) stopped
T01 >> 1462357077.80473709 LCAO eigensolver (5224.93316s) started
T01 >> 1462357077.80475092 Potential matrix (168.71152s) started
T01 << 1462357078.07377911 Potential matrix (168.98055s) stopped
T01 >> 1462357078.07384491 DistributedAtomicCorrection (869.04806s) started
T01 << 1462357079.44275689 DistributedAtomicCorrection (870.41697s) stopped
T01 >> 1462357079.44282889 Distribute overlap matrix (760.45818s) started
T01 >> 1462357079.44285107 blocked summation (721.24712s) started
T01 << 1462357080.61309290 blocked summation (722.41737s) stopped
T01 >> 1462357080.61452794 Scalapack redistribute (38.17267s) started
T01 << 1462357080.67373991 Scalapack redistribute (38.23188s) stopped
T01 << 1462357080.67381907 Distribute overlap matrix (761.68917s) stopped
T01 >> 1462357080.67439795 Blacs Orbital Layouts (1793.22202s) started
T01 >> 1462357080.67654705 General diagonalize (1757.26881s) started
T01 << 1462357083.38722706 General diagonalize (1759.97949s) stopped
T01 >> 1462357083.38727689 Redistribute coefs (1.97221s) started
T01 << 1462357083.39042711 Redistribute coefs (1.97536s) stopped
T01 >> 1462357083.39047599 Send coefs to domains (32.96042s) started
T01 << 1462357083.44221306 Send coefs to domains (33.01216s) stopped
T01 << 1462357083.44277406 Blacs Orbital Layouts (1795.99040s) stopped
T01 >> 1462357083.44283104 Calculate projections (1632.93963s) started
T01 << 1462357085.92456198 Calculate projections (1635.42136s) stopped
T01 << 1462357085.92464209 LCAO eigensolver (5233.05306s) stopped
T01 >> 1462357085.92538905 Density (1286.78261s) started
T01 >> 1462357085.92540193 Pseudo density (1065.28742s) started
T01 >> 1462357085.92580104 Calculate density matrix (957.57620s) started
T01 << 1462357087.52466106 Calculate density matrix (959.17506s) stopped
T01 >> 1462357087.52474689 Construct density (106.19489s) started
T01 << 1462357087.70656109 Construct density (106.37670s) stopped
T01 >> 1462357087.70797896 Symmetrize density (0.02691s) started
T01 << 1462357087.70801210 Symmetrize density (0.02694s) stopped
T01 << 1462357087.70846891 Pseudo density (1067.07049s) stopped
T01 >> 1462357087.70848799 Atomic density matrices (147.02529s) started
T01 << 1462357087.95567012 Atomic density matrices (147.27247s) stopped
T01 >> 1462357087.95570588 Multipole moments (2.39281s) started
T01 << 1462357087.95999408 Multipole moments (2.39710s) stopped
T01 >> 1462357087.96001697 Normalize (0.65780s) started
T01 << 1462357087.96108508 Normalize (0.65887s) stopped
T01 >> 1462357087.96111989 Mix (71.37815s) started
T01 << 1462357088.08039689 Mix (71.49743s) stopped
T01 << 1462357088.08048892 Density (1288.93771s) stopped
T01 >> 1462357088.08060098 Hamiltonian (14505.33755s) started
T01 >> 1462357088.08062100 vbar (8.75490s) started
T01 << 1462357088.09537697 vbar (8.76966s) stopped
T01 >> 1462357088.09545398 XC 3D grid (6278.22812s) started
T01 >> 1462357088.27239299 van der Waals (6060.41305s) started
T01 >> 1462357088.31407905 semilocal (1362.31887s) started
T01 << 1462357090.53989697 semilocal (1364.54469s) stopped
T01 >> 1462357090.57076001 redistribute (657.19541s) started
T01 << 1462357090.94453192 redistribute (657.56918s) stopped
T01 >> 1462357090.94460011 libvdwxc nonlocal (3994.58324s) started
T01 << 1462357097.61434293 libvdwxc nonlocal (4001.25298s) stopped
T01 >> 1462357097.61440301 redistribute (657.56922s) started
T01 << 1462357098.26973796 redistribute (658.22456s) stopped
T01 << 1462357098.27146506 van der Waals (6070.41213s) stopped
T01 << 1462357098.45170593 XC 3D grid (6288.58437s) stopped
T01 >> 1462357098.45176601 Poisson (1272.05271s) started
T01 << 1462357100.81277990 Poisson (1274.41373s) stopped
T01 >> 1462357100.81287599 Hartree integrate/restrict (49.76602s) started
T01 << 1462357100.83195996 Hartree integrate/restrict (49.78510s) stopped
T01 >> 1462357100.83202291 Hartree integrate/restrict (49.78514s) started
T01 << 1462357100.89460707 Hartree integrate/restrict (49.84773s) stopped
T01 >> 1462357100.91237712 Atomic (3861.12639s) started
T01 >> 1462357100.92243099 XC Correction (3853.15756s) started
T01 << 1462357107.19100499 XC Correction (3859.42613s) stopped
T01 << 1462357107.19408011 Atomic (3867.40809s) stopped
T01 >> 1462357107.19423389 Communicate (3022.37687s) started
T01 << 1462357112.15637112 Communicate (3027.33901s) stopped
T01 << 1462357112.15639400 Hamiltonian (14529.41334s) stopped
T01 >> 1462357112.15646410 LCAO eigensolver (5233.05308s) started
T01 >> 1462357112.15647697 Potential matrix (168.98058s) started
T01 << 1462357112.42396688 Potential matrix (169.24807s) stopped
T01 >> 1462357112.42403603 DistributedAtomicCorrection (870.41700s) started
T01 << 1462357113.81268096 DistributedAtomicCorrection (871.80564s) stopped
T01 >> 1462357113.81275511 Distribute overlap matrix (761.68918s) started
T01 >> 1462357113.81277609 blocked summation (722.41740s) started
T01 << 1462357114.97820401 blocked summation (723.58283s) stopped
T01 >> 1462357114.97990799 Scalapack redistribute (38.23192s) started
T01 << 1462357115.03823304 Scalapack redistribute (38.29024s) stopped
T01 << 1462357115.03831196 Distribute overlap matrix (762.91474s) stopped
T01 >> 1462357115.03891492 Blacs Orbital Layouts (1795.99042s) started
T01 >> 1462357115.04030490 General diagonalize (1759.97953s) started
T01 << 1462357117.72929001 General diagonalize (1762.66851s) stopped
T01 >> 1462357117.72934008 Redistribute coefs (1.97540s) started
T01 << 1462357117.73281193 Redistribute coefs (1.97887s) stopped
T01 >> 1462357117.73286009 Send coefs to domains (33.01220s) started
T01 << 1462357117.78441000 Send coefs to domains (33.06375s) stopped
T01 << 1462357117.78474307 Blacs Orbital Layouts (1798.73624s) stopped
T01 >> 1462357117.78480601 Calculate projections (1635.42141s) started
T01 << 1462357120.26679802 Calculate projections (1637.90341s) stopped
T01 << 1462357120.26707292 LCAO eigensolver (5241.16369s) stopped
T01 >> 1462357120.26780200 Density (1288.93773s) started
T01 >> 1462357120.26781511 Pseudo density (1067.07050s) started
T01 >> 1462357120.26820803 Calculate density matrix (959.17510s) started
T01 << 1462357121.85977411 Calculate density matrix (960.76666s) stopped
T01 >> 1462357121.85986590 Construct density (106.37673s) started
T01 << 1462357122.04098892 Construct density (106.55785s) stopped
T01 >> 1462357122.04331589 Symmetrize density (0.02695s) started
T01 << 1462357122.04334998 Symmetrize density (0.02699s) stopped
T01 << 1462357122.04381609 Pseudo density (1068.84651s) stopped
T01 >> 1462357122.04383492 Atomic density matrices (147.27249s) started
T01 << 1462357122.29223108 Atomic density matrices (147.52089s) stopped
T01 >> 1462357122.29226708 Multipole moments (2.39712s) started
T01 << 1462357122.29655695 Multipole moments (2.40141s) stopped
T01 >> 1462357122.29657888 Normalize (0.65889s) started
T01 << 1462357122.29764700 Normalize (0.65996s) stopped
T01 >> 1462357122.29768109 Mix (71.49752s) started
T01 << 1462357122.41819596 Mix (71.61803s) stopped
T01 << 1462357122.41830111 Density (1291.08823s) stopped
T01 >> 1462357122.41841197 Hamiltonian (14529.41336s) started
T01 >> 1462357122.41843295 vbar (8.76970s) started
T01 << 1462357122.43313789 vbar (8.78441s) stopped
T01 >> 1462357122.43321204 XC 3D grid (6288.58441s) started
T01 >> 1462357122.60953212 van der Waals (6070.41224s) started
T01 >> 1462357122.64934397 semilocal (1364.54476s) started
T01 << 1462357124.86523795 semilocal (1366.76066s) stopped
T01 >> 1462357124.89696193 redistribute (658.22465s) started
T01 << 1462357125.28910804 redistribute (658.61679s) stopped
T01 >> 1462357125.28917408 libvdwxc nonlocal (4001.25302s) started
T01 << 1462357131.99970794 libvdwxc nonlocal (4007.96355s) stopped
T01 >> 1462357131.99976707 redistribute (658.61683s) started
T01 << 1462357132.66632700 redistribute (659.28339s) stopped
T01 << 1462357132.66784000 van der Waals (6080.47054s) stopped
T01 << 1462357132.84138489 XC 3D grid (6298.99258s) stopped
T01 >> 1462357132.84143090 Poisson (1274.41380s) started
T01 << 1462357135.19180298 Poisson (1276.76417s) stopped
T01 >> 1462357135.19188905 Hartree integrate/restrict (49.84776s) started
T01 << 1462357135.21077895 Hartree integrate/restrict (49.86665s) stopped
T01 >> 1462357135.21083212 Hartree integrate/restrict (49.86669s) started
T01 << 1462357135.27319407 Hartree integrate/restrict (49.92905s) stopped
T01 >> 1462357135.29625010 Atomic (3867.40811s) started
T01 >> 1462357135.30631089 XC Correction (3859.42616s) started
T01 << 1462357141.58801603 XC Correction (3865.70786s) stopped
T01 << 1462357141.59110999 Atomic (3873.70297s) stopped
T01 >> 1462357141.59126210 Communicate (3027.33903s) started
T01 << 1462357146.56018496 Communicate (3032.30795s) stopped
T01 << 1462357146.56020808 Hamiltonian (14553.55516s) stopped
T01 >> 1462357146.56027794 LCAO eigensolver (5241.16370s) started
T01 >> 1462357146.56029105 Potential matrix (169.24810s) started
T01 << 1462357146.82864809 Potential matrix (169.51646s) stopped
T01 >> 1462357146.82871604 DistributedAtomicCorrection (871.80567s) started
T01 << 1462357148.23079705 DistributedAtomicCorrection (873.20775s) stopped
T01 >> 1462357148.23087001 Distribute overlap matrix (762.91475s) started
T01 >> 1462357148.23089194 blocked summation (723.58287s) started
T01 << 1462357149.37361598 blocked summation (724.72559s) stopped
T01 >> 1462357149.37535310 Scalapack redistribute (38.29028s) started
T01 << 1462357149.43375707 Scalapack redistribute (38.34868s) stopped
T01 << 1462357149.43384004 Distribute overlap matrix (764.11772s) stopped
T01 >> 1462357149.43442798 Blacs Orbital Layouts (1798.73626s) started
T01 >> 1462357149.43581200 General diagonalize (1762.66855s) started
T01 << 1462357152.11816096 General diagonalize (1765.35090s) stopped
T01 >> 1462357152.11821008 Redistribute coefs (1.97891s) started
T01 << 1462357152.12165093 Redistribute coefs (1.98235s) stopped
T01 >> 1462357152.12169909 Send coefs to domains (33.06379s) started
T01 << 1462357152.17440510 Send coefs to domains (33.11650s) stopped
T01 << 1462357152.17477012 Blacs Orbital Layouts (1801.47660s) stopped
T01 >> 1462357152.17482710 Calculate projections (1637.90346s) started
T01 << 1462357154.65650702 Calculate projections (1640.38514s) stopped
T01 << 1462357154.65678811 LCAO eigensolver (5249.26021s) stopped
T01 >> 1462357154.65766811 Density (1291.08825s) started
T01 >> 1462357154.65768099 Pseudo density (1068.84652s) started
T01 >> 1462357154.65807390 Calculate density matrix (960.76670s) started
T01 << 1462357156.26052189 Calculate density matrix (962.36915s) stopped
T01 >> 1462357156.26061296 Construct density (106.55788s) started
T01 << 1462357156.44124794 Construct density (106.73851s) stopped
T01 >> 1462357156.44368601 Symmetrize density (0.02700s) started
T01 << 1462357156.44371891 Symmetrize density (0.02703s) stopped
T01 << 1462357156.44417310 Pseudo density (1070.63301s) stopped
T01 >> 1462357156.44419289 Atomic density matrices (147.52092s) started
T01 << 1462357156.69295692 Atomic density matrices (147.76968s) stopped
T01 >> 1462357156.69299293 Multipole moments (2.40142s) started
T01 << 1462357156.69727707 Multipole moments (2.40570s) stopped
T01 >> 1462357156.69729900 Normalize (0.65998s) started
T01 << 1462357156.69836092 Normalize (0.66104s) stopped
T01 >> 1462357156.69839501 Mix (71.61813s) started
T01 << 1462357156.81929398 Mix (71.73903s) stopped
T01 << 1462357156.81939197 Density (1293.24997s) stopped
T01 >> 1462357156.81949997 Hamiltonian (14553.55517s) started
T01 >> 1462357156.81952190 vbar (8.78445s) started
T01 << 1462357156.83415604 vbar (8.79909s) stopped
T01 >> 1462357156.83422709 XC 3D grid (6298.99262s) started
T01 >> 1462357157.01031995 van der Waals (6080.47063s) started
T01 >> 1462357157.05145502 semilocal (1366.76077s) started
T01 << 1462357159.28572893 semilocal (1368.99504s) stopped
T01 >> 1462357159.31624889 redistribute (659.28344s) started
T01 << 1462357159.69569802 redistribute (659.66289s) stopped
T01 >> 1462357159.69576192 libvdwxc nonlocal (4007.96359s) started
T01 << 1462357166.38910604 libvdwxc nonlocal (4014.65693s) stopped
T01 >> 1462357166.38916993 redistribute (659.66293s) started
T01 << 1462357167.05307889 redistribute (660.32684s) stopped
T01 << 1462357167.05527997 van der Waals (6090.51559s) stopped
T01 << 1462357167.22731590 XC 3D grid (6309.38571s) stopped
T01 >> 1462357167.22739005 Poisson (1276.76424s) started
T01 << 1462357169.57545209 Poisson (1279.11230s) stopped
T01 >> 1462357169.57558703 Hartree integrate/restrict (49.92909s) started
T01 << 1462357169.59430790 Hartree integrate/restrict (49.94781s) stopped
T01 >> 1462357169.59446597 Hartree integrate/restrict (49.94792s) started
T01 << 1462357169.65643406 Hartree integrate/restrict (50.00989s) stopped
T01 >> 1462357169.67448807 Atomic (3873.70298s) started
T01 >> 1462357169.68458796 XC Correction (3865.70788s) started
T01 << 1462357175.97165203 XC Correction (3871.99495s) stopped
T01 << 1462357175.97473407 Atomic (3880.00323s) stopped
T01 >> 1462357175.97489190 Communicate (3032.30796s) started
T01 << 1462357180.98441601 Communicate (3037.31749s) stopped
T01 << 1462357180.98443890 Hamiltonian (14577.72011s) stopped
T01 >> 1462357180.98451209 LCAO eigensolver (5249.26023s) started
T01 >> 1462357180.98452497 Potential matrix (169.51649s) started
T01 << 1462357181.25357294 Potential matrix (169.78554s) stopped
T01 >> 1462357181.25363994 DistributedAtomicCorrection (873.20778s) started
T01 << 1462357182.63713288 DistributedAtomicCorrection (874.59127s) stopped
T01 >> 1462357182.63720489 Distribute overlap matrix (764.11773s) started
T01 >> 1462357182.63722706 blocked summation (724.72564s) started
T01 << 1462357183.80520201 blocked summation (725.89361s) stopped
T01 >> 1462357183.80741191 Scalapack redistribute (38.34872s) started
T01 << 1462357183.86591601 Scalapack redistribute (38.40722s) stopped
T01 << 1462357183.86599898 Distribute overlap matrix (765.34653s) stopped
T01 >> 1462357183.86660194 Blacs Orbital Layouts (1801.47662s) started
T01 >> 1462357183.86795998 General diagonalize (1765.35093s) started
T01 << 1462357186.56076694 General diagonalize (1768.04374s) stopped
T01 >> 1462357186.56081700 Redistribute coefs (1.98238s) started
T01 << 1462357186.56373191 Redistribute coefs (1.98530s) stopped
T01 >> 1462357186.56378293 Send coefs to domains (33.11654s) started
T01 << 1462357186.61625910 Send coefs to domains (33.16902s) stopped
T01 << 1462357186.61658192 Blacs Orbital Layouts (1804.22660s) stopped
T01 >> 1462357186.61663890 Calculate projections (1640.38520s) started
T01 << 1462357189.09845304 Calculate projections (1642.86702s) stopped
T01 << 1462357189.09889698 LCAO eigensolver (5257.37462s) stopped
T01 >> 1462357189.09962893 Density (1293.24999s) started
T01 >> 1462357189.09966397 Pseudo density (1070.63303s) started
T01 >> 1462357189.10006309 Calculate density matrix (962.36919s) started
T01 << 1462357190.70040488 Calculate density matrix (963.96954s) stopped
T01 >> 1462357190.70049191 Construct density (106.73854s) started
T01 << 1462357190.88232708 Construct density (106.92038s) stopped
T01 >> 1462357190.88466001 Symmetrize density (0.02704s) started
T01 << 1462357190.88469410 Symmetrize density (0.02707s) stopped
T01 << 1462357190.88515306 Pseudo density (1072.41851s) stopped
T01 >> 1462357190.88517189 Atomic density matrices (147.76970s) started
T01 << 1462357191.13259292 Atomic density matrices (148.01712s) stopped
T01 >> 1462357191.13262892 Multipole moments (2.40572s) started
T01 << 1462357191.13696194 Multipole moments (2.41005s) stopped
T01 >> 1462357191.13698411 Normalize (0.66107s) started
T01 << 1462357191.13803101 Normalize (0.66212s) stopped
T01 >> 1462357191.13806510 Mix (71.73912s) started
T01 << 1462357191.25823498 Mix (71.85929s) stopped
T01 << 1462357191.25828505 Density (1295.40864s) stopped
T01 >> 1462357191.25838399 Hamiltonian (14577.72012s) started
T01 >> 1462357191.25840402 vbar (8.79913s) started
T01 << 1462357191.27390409 vbar (8.81463s) stopped
T01 >> 1462357191.27396607 XC 3D grid (6309.38577s) started
T01 >> 1462357191.45596004 van der Waals (6090.51568s) started
T01 >> 1462357191.49667311 semilocal (1368.99514s) started
T01 << 1462357193.72895098 semilocal (1371.22742s) stopped
T01 >> 1462357193.75914693 redistribute (660.32696s) started
T01 << 1462357194.13780999 redistribute (660.70562s) stopped
T01 >> 1462357194.13787603 libvdwxc nonlocal (4014.65697s) started
T01 << 1462357200.81485200 libvdwxc nonlocal (4021.33395s) stopped
T01 >> 1462357200.81491590 redistribute (660.70566s) started
T01 << 1462357201.47389603 redistribute (661.36464s) stopped
T01 << 1462357201.47580504 van der Waals (6100.53553s) stopped
T01 << 1462357201.65438008 XC 3D grid (6319.76618s) stopped
T01 >> 1462357201.65442991 Poisson (1279.11240s) started
T01 << 1462357203.42555809 Poisson (1280.88353s) stopped
T01 >> 1462357203.42563295 Hartree integrate/restrict (50.00993s) started
T01 << 1462357203.44452810 Hartree integrate/restrict (50.02882s) stopped
T01 >> 1462357203.44458199 Hartree integrate/restrict (50.02886s) started
T01 << 1462357203.50808597 Hartree integrate/restrict (50.09236s) stopped
T01 >> 1462357203.52518892 Atomic (3880.00325s) started
T01 >> 1462357203.53522611 XC Correction (3871.99497s) started
T01 << 1462357209.82049608 XC Correction (3878.28024s) stopped
T01 << 1462357209.82357097 Atomic (3886.30163s) stopped
T01 >> 1462357209.82372808 Communicate (3037.31750s) started
T01 << 1462357214.84652209 Communicate (3042.34030s) stopped
T01 << 1462357214.84654498 Hamiltonian (14601.30828s) stopped
T01 >> 1462357214.84661889 LCAO eigensolver (5257.37464s) started
T01 >> 1462357214.84663200 Potential matrix (169.78557s) started
T01 << 1462357215.11400390 Potential matrix (170.05295s) stopped
T01 >> 1462357215.11407089 DistributedAtomicCorrection (874.59130s) started
T01 << 1462357216.49653697 DistributedAtomicCorrection (875.97377s) stopped
T01 >> 1462357216.49660802 Distribute overlap matrix (765.34654s) started
T01 >> 1462357216.49662995 blocked summation (725.89365s) started
T01 << 1462357217.66743588 blocked summation (727.06446s) stopped
T01 >> 1462357217.66905904 Scalapack redistribute (38.40726s) started
T01 << 1462357217.72747707 Scalapack redistribute (38.46567s) stopped
T01 << 1462357217.72755909 Distribute overlap matrix (766.57749s) stopped
T01 >> 1462357217.72815895 Blacs Orbital Layouts (1804.22662s) started
T01 >> 1462357217.72952390 General diagonalize (1768.04378s) started
T01 << 1462357220.41704607 General diagonalize (1770.73130s) stopped
T01 >> 1462357220.41709590 Redistribute coefs (1.98534s) started
T01 << 1462357220.42064595 Redistribute coefs (1.98889s) stopped
T01 >> 1462357220.42069197 Send coefs to domains (33.16906s) started
T01 << 1462357220.47243309 Send coefs to domains (33.22080s) stopped
T01 << 1462357220.47278309 Blacs Orbital Layouts (1806.97125s) stopped
T01 >> 1462357220.47284198 Calculate projections (1642.86708s) started
T01 << 1462357222.95452499 Calculate projections (1645.34876s) stopped
T01 << 1462357222.95480204 LCAO eigensolver (5265.48282s) stopped
T01 >> 1462357222.95552802 Density (1295.40866s) started
T01 >> 1462357222.95554090 Pseudo density (1072.41853s) started
T01 >> 1462357222.95594096 Calculate density matrix (963.96958s) started
T01 << 1462357224.55276108 Calculate density matrix (965.56640s) stopped
T01 >> 1462357224.55284595 Construct density (106.92040s) started
T01 << 1462357224.73389411 Construct density (107.10145s) stopped
T01 >> 1462357224.73621392 Symmetrize density (0.02709s) started
T01 << 1462357224.73624706 Symmetrize density (0.02712s) stopped
T01 << 1462357224.73670912 Pseudo density (1074.19970s) stopped
T01 >> 1462357224.73672891 Atomic density matrices (148.01715s) started
T01 << 1462357224.98518300 Atomic density matrices (148.26560s) stopped
T01 >> 1462357224.98521996 Multipole moments (2.41007s) started
T01 << 1462357224.98955894 Multipole moments (2.41441s) stopped
T01 >> 1462357224.98958111 Normalize (0.66214s) started
T01 << 1462357224.99062896 Normalize (0.66319s) stopped
T01 >> 1462357224.99066806 Mix (71.85934s) started
T01 << 1462357225.11189795 Mix (71.98057s) stopped
T01 << 1462357225.11201191 Density (1297.56514s) stopped
T01 >> 1462357225.11214304 Hamiltonian (14601.30829s) started
T01 >> 1462357225.11216307 vbar (8.81466s) started
T01 << 1462357225.12648511 vbar (8.82898s) stopped
T01 >> 1462357225.12656307 XC 3D grid (6319.76622s) started
T01 >> 1462357225.30302405 van der Waals (6100.53563s) started
T01 >> 1462357225.34341192 semilocal (1371.22748s) started
T01 << 1462357227.56057191 semilocal (1373.44464s) stopped
T01 >> 1462357227.59306908 redistribute (661.36474s) started
T01 << 1462357227.97981095 redistribute (661.75148s) stopped
T01 >> 1462357227.97987604 libvdwxc nonlocal (4021.33399s) started
T01 << 1462357234.68235803 libvdwxc nonlocal (4028.03647s) stopped
T01 >> 1462357234.68244696 redistribute (661.75152s) started
T01 << 1462357235.36212993 redistribute (662.43120s) stopped
T01 << 1462357235.36397409 van der Waals (6110.59658s) stopped
T01 << 1462357235.54102707 XC 3D grid (6330.18068s) stopped
T01 >> 1462357235.54107594 Poisson (1280.88359s) started
T01 << 1462357237.31272006 Poisson (1282.65523s) stopped
T01 >> 1462357237.31279397 Hartree integrate/restrict (50.09240s) started
T01 << 1462357237.33184505 Hartree integrate/restrict (50.11145s) stopped
T01 >> 1462357237.33189511 Hartree integrate/restrict (50.11148s) started
T01 << 1462357237.39464688 Hartree integrate/restrict (50.17423s) stopped
T01 >> 1462357237.41695189 Atomic (3886.30165s) started
T01 >> 1462357237.42717099 XC Correction (3878.28026s) started
T01 << 1462357243.77686596 XC Correction (3884.62996s) stopped
T01 << 1462357243.77993393 Atomic (3892.66463s) stopped
T01 >> 1462357243.78008795 Communicate (3042.34031s) started
T01 << 1462357248.68574309 Communicate (3047.24597s) stopped
T01 << 1462357248.68576598 Hamiltonian (14624.88192s) stopped
T01 >> 1462357248.68583989 LCAO eigensolver (5265.48284s) started
T01 >> 1462357248.68585205 Potential matrix (170.05298s) started
T01 << 1462357248.95507789 Potential matrix (170.32221s) stopped
T01 >> 1462357248.95514607 DistributedAtomicCorrection (875.97379s) started
T01 << 1462357250.32276893 DistributedAtomicCorrection (877.34142s) stopped
T01 >> 1462357250.32284307 Distribute overlap matrix (766.57750s) started
T01 >> 1462357250.32286406 blocked summation (727.06449s) started
T01 << 1462357251.48655391 blocked summation (728.22818s) stopped
T01 >> 1462357251.48834610 Scalapack redistribute (38.46571s) started
T01 << 1462357251.54589105 Scalapack redistribute (38.52326s) stopped
T01 << 1462357251.54598498 Distribute overlap matrix (767.80064s) stopped
T01 >> 1462357251.54656005 Blacs Orbital Layouts (1806.97126s) started
T01 >> 1462357251.54796910 General diagonalize (1770.73134s) started
T01 << 1462357254.25265098 General diagonalize (1773.43602s) stopped
T01 >> 1462357254.25273395 Redistribute coefs (1.98892s) started
T01 << 1462357254.25619602 Redistribute coefs (1.99239s) stopped
T01 >> 1462357254.25624394 Send coefs to domains (33.22084s) started
T01 << 1462357254.30793905 Send coefs to domains (33.27254s) stopped
T01 << 1462357254.30826902 Blacs Orbital Layouts (1809.73297s) stopped
T01 >> 1462357254.30832696 Calculate projections (1645.34882s) started
T01 << 1462357256.79013395 Calculate projections (1647.83062s) stopped
T01 << 1462357256.79040909 LCAO eigensolver (5273.58741s) stopped
T01 >> 1462357256.79129004 Density (1297.56516s) started
T01 >> 1462357256.79130292 Pseudo density (1074.19971s) started
T01 >> 1462357256.79170203 Calculate density matrix (965.56644s) started
T01 << 1462357258.38929391 Calculate density matrix (967.16403s) stopped
T01 >> 1462357258.38937998 Construct density (107.10148s) started
T01 << 1462357258.57003188 Construct density (107.28213s) stopped
T01 >> 1462357258.57246995 Symmetrize density (0.02713s) started
T01 << 1462357258.57250309 Symmetrize density (0.02716s) stopped
T01 << 1462357258.57297111 Pseudo density (1075.98138s) stopped
T01 >> 1462357258.57299089 Atomic density matrices (148.26563s) started
T01 << 1462357258.82082510 Atomic density matrices (148.51346s) stopped
T01 >> 1462357258.82085991 Multipole moments (2.41442s) started
T01 << 1462357258.82521510 Multipole moments (2.41878s) stopped
T01 >> 1462357258.82523704 Normalize (0.66322s) started
T01 << 1462357258.82629108 Normalize (0.66427s) stopped
T01 >> 1462357258.82632709 Mix (71.98068s) started
T01 << 1462357258.94647694 Mix (72.10083s) stopped
T01 << 1462357258.94657397 Density (1299.72045s) stopped
T01 >> 1462357258.94670391 Hamiltonian (14624.88193s) started
T01 >> 1462357258.94672704 vbar (8.82903s) started
T01 << 1462357258.96157193 vbar (8.84387s) stopped
T01 >> 1462357258.96165490 XC 3D grid (6330.18072s) started
T01 >> 1462357259.14046001 van der Waals (6110.59668s) started
T01 >> 1462357259.18134308 semilocal (1373.44476s) started
T01 << 1462357261.41621900 semilocal (1375.67964s) stopped
T01 >> 1462357261.44602489 redistribute (662.43131s) started
T01 << 1462357261.81998110 redistribute (662.80526s) stopped
T01 >> 1462357261.82004809 libvdwxc nonlocal (4028.03653s) started
T01 << 1462357268.52265596 libvdwxc nonlocal (4034.73914s) stopped
T01 >> 1462357268.52271700 redistribute (662.80530s) started
T01 << 1462357269.18744612 redistribute (663.47003s) stopped
T01 << 1462357269.18943310 van der Waals (6120.64565s) stopped
T01 << 1462357269.36379194 XC 3D grid (6340.58286s) stopped
T01 >> 1462357269.36385298 Poisson (1282.65528s) started
T01 << 1462357271.13971496 Poisson (1284.43115s) stopped
T01 >> 1462357271.13979912 Hartree integrate/restrict (50.17427s) started
T01 << 1462357271.15891504 Hartree integrate/restrict (50.19338s) stopped
T01 >> 1462357271.15901208 Hartree integrate/restrict (50.19345s) started
T01 << 1462357271.22072792 Hartree integrate/restrict (50.25516s) stopped
T01 >> 1462357271.23997092 Atomic (3892.66465s) started
T01 >> 1462357271.25027800 XC Correction (3884.62998s) started
T01 << 1462357277.59995198 XC Correction (3890.97965s) stopped
T01 << 1462357277.60305595 Atomic (3899.02773s) stopped
T01 >> 1462357277.60320997 Communicate (3047.24598s) started
T01 << 1462357282.47388005 Communicate (3052.11665s) stopped
T01 << 1462357282.47390294 Hamiltonian (14648.40913s) stopped
T01 >> 1462357282.47397590 LCAO eigensolver (5273.58743s) started
T01 >> 1462357282.47398901 Potential matrix (170.32224s) started
T01 << 1462357282.74269009 Potential matrix (170.59094s) stopped
T01 >> 1462357282.74275804 DistributedAtomicCorrection (877.34144s) started
T01 << 1462357284.10916209 DistributedAtomicCorrection (878.70785s) stopped
T01 >> 1462357284.10923409 Distribute overlap matrix (767.80066s) started
T01 >> 1462357284.10925508 blocked summation (728.22822s) started
T01 << 1462357285.26168203 blocked summation (729.38065s) stopped
T01 >> 1462357285.26338506 Scalapack redistribute (38.52329s) started
T01 << 1462357285.32296991 Scalapack redistribute (38.58288s) stopped
T01 << 1462357285.32305694 Distribute overlap matrix (769.01448s) stopped
T01 >> 1462357285.32365489 Blacs Orbital Layouts (1809.73299s) started
T01 >> 1462357285.32575297 General diagonalize (1773.43609s) started
T01 << 1462357288.02697611 General diagonalize (1776.13732s) stopped
T01 >> 1462357288.02702498 Redistribute coefs (1.99242s) started
T01 << 1462357288.03035593 Redistribute coefs (1.99575s) stopped
T01 >> 1462357288.03040409 Send coefs to domains (33.27258s) started
T01 << 1462357288.08280206 Send coefs to domains (33.32498s) stopped
T01 << 1462357288.08336997 Blacs Orbital Layouts (1812.49271s) stopped
T01 >> 1462357288.08343005 Calculate projections (1647.83068s) started
T01 << 1462357290.56504512 Calculate projections (1650.31230s) stopped
T01 << 1462357290.56532001 LCAO eigensolver (5281.67877s) stopped
T01 >> 1462357290.56605506 Density (1299.72047s) started
T01 >> 1462357290.56606698 Pseudo density (1075.98139s) started
T01 >> 1462357290.56646204 Calculate density matrix (967.16407s) started
T01 << 1462357292.16054106 Calculate density matrix (968.75815s) stopped
T01 >> 1462357292.16062093 Construct density (107.28216s) started
T01 << 1462357292.34201407 Construct density (107.46355s) stopped
T01 >> 1462357292.34434199 Symmetrize density (0.02717s) started
T01 << 1462357292.34437490 Symmetrize density (0.02721s) stopped
T01 << 1462357292.34484291 Pseudo density (1077.76017s) stopped
T01 >> 1462357292.34486198 Atomic density matrices (148.51349s) started
T01 << 1462357292.59375405 Atomic density matrices (148.76238s) stopped
T01 >> 1462357292.59379005 Multipole moments (2.41879s) started
T01 << 1462357292.59816504 Multipole moments (2.42317s) stopped
T01 >> 1462357292.59818697 Normalize (0.66430s) started
T01 << 1462357292.59924006 Normalize (0.66535s) stopped
T01 >> 1462357292.59927511 Mix (72.10093s) started
T01 << 1462357292.72047091 Mix (72.22212s) stopped
T01 << 1462357292.72058105 Density (1301.87499s) stopped
T01 >> 1462357292.72070789 Hamiltonian (14648.40914s) started
T01 >> 1462357292.72073197 vbar (8.84391s) started
T01 << 1462357292.73515105 vbar (8.85833s) stopped
T01 >> 1462357292.73522806 XC 3D grid (6340.58290s) started
T01 >> 1462357292.91214204 van der Waals (6120.64574s) started
T01 >> 1462357292.95383000 semilocal (1375.67972s) started
T01 << 1462357295.17460203 semilocal (1377.90049s) stopped
T01 >> 1462357295.20670199 redistribute (663.47012s) started
T01 << 1462357295.58463407 redistribute (663.84805s) stopped
T01 >> 1462357295.58470511 libvdwxc nonlocal (4034.73918s) started
T01 << 1462357302.25111008 libvdwxc nonlocal (4041.40558s) stopped
T01 >> 1462357302.25116992 redistribute (663.84809s) started
T01 << 1462357302.91601896 redistribute (664.51294s) stopped
T01 << 1462357302.91751194 van der Waals (6130.65111s) stopped
T01 << 1462357303.09843707 XC 3D grid (6350.94611s) stopped
T01 >> 1462357303.09848690 Poisson (1284.43121s) started
T01 << 1462357304.87067008 Poisson (1286.20339s) stopped
T01 >> 1462357304.87073708 Hartree integrate/restrict (50.25521s) started
T01 << 1462357304.88964105 Hartree integrate/restrict (50.27411s) stopped
T01 >> 1462357304.88969302 Hartree integrate/restrict (50.27415s) started
T01 << 1462357304.95816994 Hartree integrate/restrict (50.34262s) stopped
T01 >> 1462357304.97574496 Atomic (3899.02775s) started
T01 >> 1462357304.98601103 XC Correction (3890.97968s) started
T01 << 1462357311.31370091 XC Correction (3897.30737s) stopped
T01 << 1462357311.31678104 Atomic (3905.36878s) stopped
T01 >> 1462357311.31693506 Communicate (3052.11667s) started
T01 << 1462357316.27486706 Communicate (3057.07460s) stopped
T01 << 1462357316.27488995 Hamiltonian (14671.96332s) stopped
T01 >> 1462357316.27496195 LCAO eigensolver (5281.67879s) started
T01 >> 1462357316.27497506 Potential matrix (170.59097s) started
T01 << 1462357316.54284191 Potential matrix (170.85884s) stopped
T01 >> 1462357316.54291797 DistributedAtomicCorrection (878.70788s) started
T01 << 1462357317.92186594 DistributedAtomicCorrection (880.08682s) stopped
T01 >> 1462357317.92196798 Distribute overlap matrix (769.01449s) started
T01 >> 1462357317.92199111 blocked summation (729.38069s) started
T01 << 1462357319.07393098 blocked summation (730.53263s) stopped
T01 >> 1462357319.07563996 Scalapack redistribute (38.58291s) started
T01 << 1462357319.13649988 Scalapack redistribute (38.64377s) stopped
T01 << 1462357319.13658810 Distribute overlap matrix (770.22911s) stopped
T01 >> 1462357319.13718605 Blacs Orbital Layouts (1812.49273s) started
T01 >> 1462357319.13855410 General diagonalize (1776.13735s) started
T01 << 1462357321.82958007 General diagonalize (1778.82838s) stopped
T01 >> 1462357321.82963109 Redistribute coefs (1.99579s) started
T01 << 1462357321.83336997 Redistribute coefs (1.99953s) stopped
T01 >> 1462357321.83341789 Send coefs to domains (33.32502s) started
T01 << 1462357321.88507199 Send coefs to domains (33.37668s) stopped
T01 << 1462357321.88538194 Blacs Orbital Layouts (1815.24092s) stopped
T01 >> 1462357321.88544202 Calculate projections (1650.31235s) started
T01 << 1462357324.36722398 Calculate projections (1652.79414s) stopped
T01 << 1462357324.36750603 LCAO eigensolver (5289.77133s) stopped
T01 >> 1462357324.36824703 Density (1301.87502s) started
T01 >> 1462357324.36825991 Pseudo density (1077.76018s) started
T01 >> 1462357324.36865807 Calculate density matrix (968.75819s) started
T01 << 1462357325.97410488 Calculate density matrix (970.36364s) stopped
T01 >> 1462357325.97419500 Construct density (107.46358s) started
T01 << 1462357326.15525198 Construct density (107.64464s) stopped
T01 >> 1462357326.15755606 Symmetrize density (0.02722s) started
T01 << 1462357326.15759110 Symmetrize density (0.02725s) stopped
T01 << 1462357326.15805292 Pseudo density (1079.54998s) stopped
T01 >> 1462357326.15807295 Atomic density matrices (148.76240s) started
T01 << 1462357326.40639305 Atomic density matrices (149.01072s) stopped
T01 >> 1462357326.40642905 Multipole moments (2.42318s) started
T01 << 1462357326.41081095 Multipole moments (2.42756s) stopped
T01 >> 1462357326.41083288 Normalize (0.66537s) started
T01 << 1462357326.41190004 Normalize (0.66644s) stopped
T01 >> 1462357326.41193390 Mix (72.22223s) started
T01 << 1462357326.53266811 Mix (72.34296s) stopped
T01 << 1462357326.53277111 Density (1304.03954s) stopped
T01 >> 1462357326.53291202 Hamiltonian (14671.96334s) started
T01 >> 1462357326.53293395 vbar (8.85838s) started
T01 << 1462357326.54746199 vbar (8.87291s) stopped
T01 >> 1462357326.54754090 XC 3D grid (6350.94615s) started
T01 >> 1462357326.72717500 van der Waals (6130.65120s) started
T01 >> 1462357326.76804209 semilocal (1377.90064s) started
T01 << 1462357328.98718190 semilocal (1380.11978s) stopped
T01 >> 1462357329.01924109 redistribute (664.51299s) started
T01 << 1462357329.41402411 redistribute (664.90778s) stopped
T01 >> 1462357329.41408992 libvdwxc nonlocal (4041.40562s) started
T01 << 1462357336.08146191 libvdwxc nonlocal (4048.07299s) stopped
T01 >> 1462357336.08154297 redistribute (664.90781s) started
T01 << 1462357336.74862099 redistribute (665.57489s) stopped
T01 << 1462357336.75035310 van der Waals (6140.67438s) stopped
T01 << 1462357336.92170095 XC 3D grid (6361.32031s) stopped
T01 >> 1462357336.92174697 Poisson (1286.20344s) started
T01 << 1462357338.11507511 Poisson (1287.39677s) stopped
T01 >> 1462357338.11514711 Hartree integrate/restrict (50.34266s) started
T01 << 1462357338.13385010 Hartree integrate/restrict (50.36136s) stopped
T01 >> 1462357338.13393211 Hartree integrate/restrict (50.36141s) started
T01 << 1462357338.19701099 Hartree integrate/restrict (50.42449s) stopped
T01 >> 1462357338.21861410 Atomic (3905.36880s) started
T01 >> 1462357338.22893000 XC Correction (3897.30739s) started
T01 << 1462357344.54788804 XC Correction (3903.62635s) stopped
T01 << 1462357344.55097508 Atomic (3911.70116s) stopped
T01 >> 1462357344.55113196 Communicate (3057.07462s) started
T01 << 1462357349.48525596 Communicate (3062.00874s) stopped
T01 << 1462357349.48527789 Hamiltonian (14694.91570s) stopped
T01 >> 1462357349.48534989 LCAO eigensolver (5289.77135s) started
T01 >> 1462357349.48536301 Potential matrix (170.85888s) started
T01 << 1462357349.75513697 Potential matrix (171.12865s) stopped
T01 >> 1462357349.75520396 DistributedAtomicCorrection (880.08688s) started
T01 << 1462357351.13563609 DistributedAtomicCorrection (881.46731s) stopped
T01 >> 1462357351.13571095 Distribute overlap matrix (770.22912s) started
T01 >> 1462357351.13573194 blocked summation (730.53267s) started
T01 << 1462357352.28875208 blocked summation (731.68569s) stopped
T01 >> 1462357352.29098010 Scalapack redistribute (38.64381s) started
T01 << 1462357352.34892607 Scalapack redistribute (38.70175s) stopped
T01 << 1462357352.34901810 Distribute overlap matrix (771.44243s) stopped
T01 >> 1462357352.34961891 Blacs Orbital Layouts (1815.24094s) started
T01 >> 1462357352.35101199 General diagonalize (1778.82842s) started
T01 << 1462357355.03747296 General diagonalize (1781.51488s) stopped
T01 >> 1462357355.03752303 Redistribute coefs (1.99957s) started
T01 << 1462357355.04037094 Redistribute coefs (2.00241s) stopped
T01 >> 1462357355.04042101 Send coefs to domains (33.37672s) started
T01 << 1462357355.09260798 Send coefs to domains (33.42891s) stopped
T01 << 1462357355.09293604 Blacs Orbital Layouts (1817.98426s) stopped
T01 >> 1462357355.09299111 Calculate projections (1652.79420s) started
T01 << 1462357357.57478809 Calculate projections (1655.27599s) stopped
T01 << 1462357357.57522202 LCAO eigensolver (5297.86123s) stopped
T01 >> 1462357357.57595491 Density (1304.03956s) started
T01 >> 1462357357.57596803 Pseudo density (1079.54999s) started
T01 >> 1462357357.57636595 Calculate density matrix (970.36368s) started
T01 << 1462357359.18239594 Calculate density matrix (971.96971s) stopped
T01 >> 1462357359.18248391 Construct density (107.64467s) started
T01 << 1462357359.36326289 Construct density (107.82544s) stopped
T01 >> 1462357359.36558795 Symmetrize density (0.02726s) started
T01 << 1462357359.36561990 Symmetrize density (0.02729s) stopped
T01 << 1462357359.36607790 Pseudo density (1081.34010s) stopped
T01 >> 1462357359.36609697 Atomic density matrices (149.01075s) started
T01 << 1462357359.61451507 Atomic density matrices (149.25917s) stopped
T01 >> 1462357359.61455011 Multipole moments (2.42758s) started
T01 << 1462357359.61889291 Multipole moments (2.43192s) stopped
T01 >> 1462357359.61891508 Normalize (0.66646s) started
T01 << 1462357359.61998010 Normalize (0.66753s) stopped
T01 >> 1462357359.62001610 Mix (72.34306s) started
T01 << 1462357359.74174190 Mix (72.46479s) stopped
T01 << 1462357359.74183297 Density (1306.20544s) stopped
T01 >> 1462357359.74195290 Hamiltonian (14694.91572s) started
T01 >> 1462357359.74197412 vbar (8.87295s) started
T01 << 1462357359.75655007 vbar (8.88753s) stopped
T01 >> 1462357359.75662804 XC 3D grid (6361.32035s) started
T01 >> 1462357359.93886590 van der Waals (6140.67443s) started
T01 >> 1462357359.97913694 semilocal (1380.11987s) started
T01 << 1462357362.21472907 semilocal (1382.35546s) stopped
T01 >> 1462357362.24551296 redistribute (665.57495s) started
T01 << 1462357362.61834502 redistribute (665.94779s) stopped
T01 >> 1462357362.61841202 libvdwxc nonlocal (4048.07305s) started
T01 << 1462357369.30923605 libvdwxc nonlocal (4054.76387s) stopped
T01 >> 1462357369.30929494 redistribute (665.94782s) started
T01 << 1462357369.97639108 redistribute (666.61492s) stopped
T01 << 1462357369.97794104 van der Waals (6150.71351s) stopped
T01 << 1462357370.14747310 XC 3D grid (6371.71119s) stopped
T01 >> 1462357370.14755106 Poisson (1287.39682s) started
T01 << 1462357371.34512210 Poisson (1288.59439s) stopped
T01 >> 1462357371.34525490 Hartree integrate/restrict (50.42453s) started
T01 << 1462357371.36412311 Hartree integrate/restrict (50.44340s) stopped
T01 >> 1462357371.36426306 Hartree integrate/restrict (50.44350s) started
T01 << 1462357371.43193793 Hartree integrate/restrict (50.51117s) stopped
T01 >> 1462357371.44465089 Atomic (3911.70118s) started
T01 >> 1462357371.45488596 XC Correction (3903.62637s) started
T01 << 1462357377.78161693 XC Correction (3909.95310s) stopped
T01 << 1462357377.78473401 Atomic (3918.04126s) stopped
T01 >> 1462357377.78488708 Communicate (3062.00876s) started
T01 << 1462357382.77277708 Communicate (3066.99665s) stopped
T01 << 1462357382.77279902 Hamiltonian (14717.94656s) stopped
T01 >> 1462357382.77287197 LCAO eigensolver (5297.86125s) started
T01 >> 1462357382.77288389 Potential matrix (171.12869s) started
T01 << 1462357383.04091406 Potential matrix (171.39672s) stopped
T01 >> 1462357383.04098010 DistributedAtomicCorrection (881.46734s) started
T01 << 1462357384.40246296 DistributedAtomicCorrection (882.82883s) stopped
T01 >> 1462357384.40253496 Distribute overlap matrix (771.44244s) started
T01 >> 1462357384.40255690 blocked summation (731.68573s) started
T01 << 1462357385.56327295 blocked summation (732.84644s) stopped
T01 >> 1462357385.56477094 Scalapack redistribute (38.70179s) started
T01 << 1462357385.62497807 Scalapack redistribute (38.76200s) stopped
T01 << 1462357385.62507010 Distribute overlap matrix (772.66498s) stopped
T01 >> 1462357385.62566805 Blacs Orbital Layouts (1817.98427s) started
T01 >> 1462357385.62781310 General diagonalize (1781.51492s) started
T01 << 1462357388.33709598 General diagonalize (1784.22420s) stopped
T01 >> 1462357388.33714604 Redistribute coefs (2.00245s) started
T01 << 1462357388.34011197 Redistribute coefs (2.00542s) stopped
T01 >> 1462357388.34016395 Send coefs to domains (33.42896s) started
T01 << 1462357388.39319205 Send coefs to domains (33.48198s) stopped
T01 << 1462357388.39375901 Blacs Orbital Layouts (1820.75237s) stopped
T01 >> 1462357388.39381289 Calculate projections (1655.27605s) started
T01 << 1462357390.87545204 Calculate projections (1657.75769s) stopped
T01 << 1462357390.87573004 LCAO eigensolver (5305.96410s) stopped
T01 << 1462357390.87645102 SCF-cycle (21330.66760s) stopped
T01 >> 1462357391.78025389 Force calculation (1208.78653s) started
T01 >> 1462357391.78031707 LCAO forces (749.52501s) started
T01 >> 1462357391.78067589 Initial (0.00089s) started
T01 << 1462357391.78068709 Initial (0.00090s) stopped
T01 >> 1462357391.78505993 Get density matrix (146.37728s) started
T01 << 1462357392.39485192 Get density matrix (146.98707s) stopped
T01 >> 1462357392.39492989 Potential (53.80229s) started
T01 << 1462357393.81896996 Potential (55.22633s) stopped
T01 >> 1462357393.81902194 Get density matrix (146.98710s) started
T01 << 1462357397.08423591 Get density matrix (150.25232s) stopped
T01 >> 1462357397.08438301 Prepare TCI loop (73.54513s) started
T01 >> 1462357397.08488011 Get neighbors (68.50828s) started
T01 << 1462357398.92356110 Get neighbors (70.34696s) stopped
T01 >> 1462357398.92378497 broadcast dH (5.00945s) started
T01 << 1462357398.93390989 broadcast dH (5.01957s) stopped
T01 << 1462357398.93395400 Prepare TCI loop (75.39470s) stopped
T01 >> 1462357398.93397188 Not so complicated loop (105.40831s) started
T01 << 1462357401.65057802 Not so complicated loop (108.12492s) stopped
T01 >> 1462357401.77943206 Complicated loop (365.04547s) started
T01 << 1462357411.34093809 Complicated loop (374.60697s) stopped
T01 >> 1462357411.35500789 Wait for sum (0.00219s) started
T01 << 1462357411.35505199 Wait for sum (0.00223s) stopped
T01 << 1462357411.35506511 LCAO forces (769.09976s) stopped
T01 << 1462357423.76264000 Force calculation (1240.76891s) stopped
T01 >> 1462357423.78056788 Initialization (2004.34984s) started
T01 << 1462357423.78076911 Initialization (2004.35004s) stopped
T01 >> 1462357423.78105903 Initialization (2004.35006s) started
T01 << 1462357423.78119898 Initialization (2004.35020s) stopped
T01 >> 1462357423.78134203 Initialization (2004.35021s) started
T01 << 1462357423.78148293 Initialization (2004.35036s) stopped
T01 >> 1462357444.15123701 Initialization (2004.35038s) started
T01 >> 1462357444.18682694 Basic WFS set positions (3.86984s) started
T01 >> 1462357444.18685293 Redistribute (0.07432s) started
T01 << 1462357444.19208789 Redistribute (0.07956s) stopped
T01 << 1462357444.29105210 Basic WFS set positions (3.97407s) stopped
T01 >> 1462357444.29108596 Basis functions set positions (16.53460s) started
T01 << 1462357444.70795989 Basis functions set positions (16.95147s) stopped
T01 >> 1462357444.70943809 TCI: Calculate S, T, P (600.38647s) started
T01 << 1462357459.94057298 TCI: Calculate S, T, P (615.61761s) stopped
T01 >> 1462357459.94067407 blocked summation (159.57048s) started
T01 << 1462357464.18241596 blocked summation (163.81222s) stopped
T01 >> 1462357464.18423796 Scalapack redistribute (9.55497s) started
T01 << 1462357464.24367595 Scalapack redistribute (9.61440s) stopped
T01 >> 1462357464.24403405 blocked summation (163.81227s) started
T01 << 1462357464.40829396 blocked summation (163.97653s) stopped
T01 >> 1462357464.40993094 Scalapack redistribute (9.61444s) started
T01 << 1462357464.61040998 Scalapack redistribute (9.81492s) stopped
T01 >> 1462357464.61192703 Redistribute (0.08060s) started
T01 << 1462357464.61289310 Redistribute (0.08157s) stopped
T01 >> 1462357465.53542900 Redistribute (0.08158s) started
T01 << 1462357465.53639007 Redistribute (0.08254s) stopped
T01 >> 1462357465.54689097 LCAO WFS Initialize (1172.58295s) started
T01 >> 1462357465.54692101 Density initialize from wavefunctions (47.51252s) started
T01 >> 1462357465.54733205 Calculate density matrix (27.50829s) started
T01 << 1462357466.24843311 Calculate density matrix (28.20939s) stopped
T01 >> 1462357466.24849796 Construct density (6.81251s) started
T01 << 1462357466.43094802 Construct density (6.99496s) stopped
T01 >> 1462357466.43252301 Symmetrize density (0.00169s) started
T01 << 1462357466.43255496 Symmetrize density (0.00172s) stopped
T01 << 1462357466.77508402 Density initialize from wavefunctions (48.74068s) stopped
T01 >> 1462357466.77568793 Hamiltonian (1124.85246s) started
T01 >> 1462357466.77573991 vbar (0.58892s) started
T01 << 1462357466.79130793 vbar (0.60448s) stopped
T01 >> 1462357466.79137611 XC 3D grid (411.12789s) started
T01 >> 1462357466.96948004 van der Waals (396.87009s) started
T01 >> 1462357467.00982904 semilocal (88.66736s) started
T01 << 1462357469.21298909 semilocal (90.87052s) stopped
T01 >> 1462357469.24803305 redistribute (42.58062s) started
T01 << 1462357469.66374993 redistribute (42.99634s) stopped
T01 >> 1462357469.66380095 libvdwxc nonlocal (262.58845s) started
T01 << 1462357476.38011193 libvdwxc nonlocal (269.30476s) stopped
T01 >> 1462357476.38016295 redistribute (42.99637s) started
T01 << 1462357477.01924801 redistribute (43.63546s) stopped
T01 << 1462357477.02038503 van der Waals (406.92100s) stopped
T01 << 1462357477.20300293 XC 3D grid (421.53952s) stopped
T01 >> 1462357477.20305204 Poisson (188.84508s) started
T01 << 1462357481.95274210 Poisson (193.59477s) stopped
T01 >> 1462357481.95281601 Hartree integrate/restrict (3.22278s) started
T01 << 1462357481.97197390 Hartree integrate/restrict (3.24194s) stopped
T01 >> 1462357481.97204494 Hartree integrate/restrict (3.24198s) started
T01 << 1462357482.03324103 Hartree integrate/restrict (3.30318s) stopped
T01 >> 1462357482.05807805 Atomic (265.34753s) started
T01 >> 1462357482.06849098 XC Correction (264.81381s) started
T01 << 1462357488.57086110 XC Correction (271.31618s) stopped
T01 << 1462357488.57391810 Atomic (271.86337s) stopped
T01 >> 1462357488.57413006 Communicate (254.84740s) started
T01 << 1462357495.29011893 Communicate (261.56338s) stopped
T01 << 1462357495.29014301 Hamiltonian (1153.36692s) stopped
T01 << 1462357495.29020810 LCAO WFS Initialize (1202.32627s) stopped
T01 << 1462357495.30211997 Initialization (2055.50126s) stopped
T01 >> 1462357495.32692695 SCF-cycle (21330.66761s) started
T01 >> 1462357495.32696605 LCAO eigensolver (5305.96412s) started
T01 >> 1462357495.32697892 Potential matrix (171.39675s) started
T01 << 1462357495.59495091 Potential matrix (171.66472s) stopped
T01 >> 1462357495.59502101 DistributedAtomicCorrection (882.82886s) started
T01 << 1462357496.95129800 DistributedAtomicCorrection (884.18513s) stopped
T01 >> 1462357496.95136690 Distribute overlap matrix (772.66499s) started
T01 >> 1462357496.95138788 blocked summation (732.84648s) started
T01 << 1462357498.16304898 blocked summation (734.05814s) stopped
T01 >> 1462357498.16473293 Scalapack redistribute (38.76203s) started
T01 << 1462357498.22142911 Scalapack redistribute (38.81873s) stopped
T01 << 1462357498.22150993 Distribute overlap matrix (773.93513s) stopped
T01 >> 1462357498.22213292 Blacs Orbital Layouts (1820.75238s) started
T01 >> 1462357498.22432494 General diagonalize (1784.22424s) started
T01 << 1462357500.93374300 General diagonalize (1786.93366s) stopped
T01 >> 1462357500.93379402 Redistribute coefs (2.00546s) started
T01 << 1462357500.93677497 Redistribute coefs (2.00844s) stopped
T01 >> 1462357500.93682408 Send coefs to domains (33.48203s) started
T01 << 1462357500.98878694 Send coefs to domains (33.53399s) stopped
T01 << 1462357500.98935294 Blacs Orbital Layouts (1823.51960s) stopped
T01 >> 1462357500.98938799 Calculate projections (1657.75775s) started
T01 << 1462357503.44935489 Calculate projections (1660.21771s) stopped
T01 << 1462357503.44943905 LCAO eigensolver (5314.08660s) stopped
T01 >> 1462357503.45011806 Density (1306.20545s) started
T01 >> 1462357503.45013094 Pseudo density (1081.34012s) started
T01 >> 1462357503.45065498 Calculate density matrix (971.96975s) started
T01 << 1462357505.06402612 Calculate density matrix (973.58312s) stopped
T01 >> 1462357505.06409192 Construct density (107.82547s) started
T01 << 1462357505.24581409 Construct density (108.00719s) stopped
T01 >> 1462357505.24719691 Symmetrize density (0.02731s) started
T01 << 1462357505.24723101 Symmetrize density (0.02734s) stopped
T01 << 1462357505.24767494 Pseudo density (1083.13766s) stopped
T01 >> 1462357505.24769497 Atomic density matrices (149.25919s) started
T01 << 1462357505.49486589 Atomic density matrices (149.50636s) stopped
T01 >> 1462357505.49490190 Multipole moments (2.43193s) started
T01 << 1462357505.49911690 Multipole moments (2.43615s) stopped
T01 >> 1462357505.49913907 Normalize (0.66755s) started
T01 << 1462357505.50028205 Normalize (0.66870s) stopped
T01 >> 1462357505.50031710 Mix (72.46487s) started
T01 << 1462357505.60845304 Mix (72.57301s) stopped
T01 << 1462357505.60857296 Density (1308.36391s) stopped
T01 >> 1462357505.60868502 Hamiltonian (14717.94658s) started
T01 >> 1462357505.60870409 vbar (8.88757s) started
T01 << 1462357505.62329698 vbar (8.90216s) stopped
T01 >> 1462357505.62337208 XC 3D grid (6371.71125s) started
T01 >> 1462357505.79995608 van der Waals (6150.71356s) started
T01 >> 1462357505.84135509 semilocal (1382.35553s) started
T01 << 1462357508.05372310 semilocal (1384.56790s) stopped
T01 >> 1462357508.08584094 redistribute (666.61501s) started
T01 << 1462357508.48233199 redistribute (667.01150s) stopped
T01 >> 1462357508.48239803 libvdwxc nonlocal (4054.76391s) started
T01 << 1462357515.19529700 libvdwxc nonlocal (4061.47681s) stopped
T01 >> 1462357515.19538593 redistribute (667.01154s) started
T01 << 1462357515.84309196 redistribute (667.65924s) stopped
T01 << 1462357515.84437108 van der Waals (6160.75798s) stopped
T01 << 1462357516.02587891 XC 3D grid (6382.11376s) stopped
T01 >> 1462357516.02594399 Poisson (1288.59449s) started
T01 << 1462357517.83356094 Poisson (1290.40211s) stopped
T01 >> 1462357517.83365798 Hartree integrate/restrict (50.51121s) started
T01 << 1462357517.85248089 Hartree integrate/restrict (50.53003s) stopped
T01 >> 1462357517.85258698 Hartree integrate/restrict (50.53011s) started
T01 << 1462357517.91490698 Hartree integrate/restrict (50.59243s) stopped
T01 >> 1462357517.93804789 Atomic (3918.04128s) started
T01 >> 1462357517.94812393 XC Correction (3909.95316s) started
T01 << 1462357524.48547602 XC Correction (3916.49051s) stopped
T01 << 1462357524.48844409 Atomic (3924.59167s) stopped
T01 >> 1462357524.48854804 Communicate (3066.99666s) started
T01 << 1462357531.14303589 Communicate (3073.65115s) stopped
T01 << 1462357531.14305997 Hamiltonian (14743.48095s) stopped
T01 >> 1462357531.14312601 LCAO eigensolver (5314.08661s) started
T01 >> 1462357531.14313793 Potential matrix (171.66476s) started
T01 << 1462357531.41057801 Potential matrix (171.93220s) stopped
T01 >> 1462357531.41064906 DistributedAtomicCorrection (884.18516s) started
T01 << 1462357532.75864697 DistributedAtomicCorrection (885.53316s) stopped
T01 >> 1462357532.75871611 Distribute overlap matrix (773.93514s) started
T01 >> 1462357532.75873804 blocked summation (734.05822s) started
T01 << 1462357533.94416308 blocked summation (735.24365s) stopped
T01 >> 1462357533.94573307 Scalapack redistribute (38.81876s) started
T01 << 1462357534.00315905 Scalapack redistribute (38.87619s) stopped
T01 << 1462357534.00323701 Distribute overlap matrix (775.17967s) stopped
T01 >> 1462357534.00386810 Blacs Orbital Layouts (1823.51962s) started
T01 >> 1462357534.00538707 General diagonalize (1786.93370s) started
T01 << 1462357536.71250892 General diagonalize (1789.64082s) stopped
T01 >> 1462357536.71257401 Redistribute coefs (2.00848s) started
T01 << 1462357536.71545410 Redistribute coefs (2.01136s) stopped
T01 >> 1462357536.71550298 Send coefs to domains (33.53403s) started
T01 << 1462357536.76809812 Send coefs to domains (33.58663s) stopped
T01 << 1462357536.76849604 Blacs Orbital Layouts (1826.28425s) stopped
T01 >> 1462357536.76854992 Calculate projections (1660.21777s) started
T01 << 1462357539.22875810 Calculate projections (1662.67798s) stopped
T01 << 1462357539.22883892 LCAO eigensolver (5322.17232s) stopped
T01 >> 1462357539.22952104 Density (1308.36393s) started
T01 >> 1462357539.22953391 Pseudo density (1083.13767s) started
T01 >> 1462357539.23005700 Calculate density matrix (973.58317s) started
T01 << 1462357540.84247398 Calculate density matrix (975.19558s) stopped
T01 >> 1462357540.84254098 Construct density (108.00722s) started
T01 << 1462357541.02417397 Construct density (108.18885s) stopped
T01 >> 1462357541.02557111 Symmetrize density (0.02735s) started
T01 << 1462357541.02560592 Symmetrize density (0.02739s) stopped
T01 << 1462357541.02605200 Pseudo density (1084.93419s) stopped
T01 >> 1462357541.02607107 Atomic density matrices (149.50638s) started
T01 << 1462357541.27412391 Atomic density matrices (149.75444s) stopped
T01 >> 1462357541.27416110 Multipole moments (2.43616s) started
T01 << 1462357541.27841306 Multipole moments (2.44042s) stopped
T01 >> 1462357541.27843499 Normalize (0.66872s) started
T01 << 1462357541.27957511 Normalize (0.66986s) stopped
T01 >> 1462357541.27961111 Mix (72.57313s) started
T01 << 1462357541.39082289 Mix (72.68434s) stopped
T01 << 1462357541.39091992 Density (1310.52533s) stopped
T01 >> 1462357541.39102697 Hamiltonian (14743.48096s) started
T01 >> 1462357541.39104700 vbar (8.90220s) started
T01 << 1462357541.40536404 vbar (8.91652s) stopped
T01 >> 1462357541.40543604 XC 3D grid (6382.11381s) started
T01 >> 1462357541.58253503 van der Waals (6160.75802s) started
T01 >> 1462357541.62232709 semilocal (1384.56803s) started
T01 << 1462357543.84863901 semilocal (1386.79434s) stopped
T01 >> 1462357543.87893701 redistribute (667.65929s) started
T01 << 1462357544.26537800 redistribute (668.04573s) stopped
T01 >> 1462357544.26544309 libvdwxc nonlocal (4061.47687s) started
T01 << 1462357550.98052907 libvdwxc nonlocal (4068.19195s) stopped
T01 >> 1462357550.98059297 redistribute (668.04576s) started
T01 << 1462357551.62405109 redistribute (668.68922s) stopped
T01 << 1462357551.62521195 van der Waals (6170.80070s) stopped
T01 << 1462357551.80333996 XC 3D grid (6392.51172s) stopped
T01 >> 1462357551.80338597 Poisson (1290.40218s) started
T01 << 1462357553.61031389 Poisson (1292.20911s) stopped
T01 >> 1462357553.61038589 Hartree integrate/restrict (50.59246s) started
T01 << 1462357553.62932491 Hartree integrate/restrict (50.61140s) stopped
T01 >> 1462357553.62939501 Hartree integrate/restrict (50.61145s) started
T01 << 1462357553.69125390 Hartree integrate/restrict (50.67331s) stopped
T01 >> 1462357553.71012998 Atomic (3924.59169s) started
T01 >> 1462357553.72019792 XC Correction (3916.49054s) started
T01 << 1462357559.91990995 XC Correction (3922.69025s) stopped
T01 << 1462357559.92294312 Atomic (3930.80451s) stopped
T01 >> 1462357559.92304492 Communicate (3073.65117s) started
T01 << 1462357566.26615310 Communicate (3079.99427s) stopped
T01 << 1462357566.26619697 Hamiltonian (14768.35613s) stopped
T01 >> 1462357566.26626205 LCAO eigensolver (5322.17233s) started
T01 >> 1462357566.26627493 Potential matrix (171.93223s) started
T01 << 1462357566.53584409 Potential matrix (172.20180s) stopped
T01 >> 1462357566.53591108 DistributedAtomicCorrection (885.53319s) started
T01 << 1462357567.88601089 DistributedAtomicCorrection (886.88329s) stopped
T01 >> 1462357567.88607907 Distribute overlap matrix (775.17968s) started
T01 >> 1462357567.88610005 blocked summation (735.24369s) started
T01 << 1462357569.06290102 blocked summation (736.42049s) stopped
T01 >> 1462357569.06446695 Scalapack redistribute (38.87622s) started
T01 << 1462357569.12696910 Scalapack redistribute (38.93873s) stopped
T01 << 1462357569.12704802 Distribute overlap matrix (776.42065s) stopped
T01 >> 1462357569.12766004 Blacs Orbital Layouts (1826.28427s) started
T01 >> 1462357569.12920594 General diagonalize (1789.64086s) started
T01 << 1462357571.84092498 General diagonalize (1792.35258s) stopped
T01 >> 1462357571.84099102 Redistribute coefs (2.01139s) started
T01 << 1462357571.84376693 Redistribute coefs (2.01417s) stopped
T01 >> 1462357571.84385109 Send coefs to domains (33.58667s) started
T01 << 1462357571.89644289 Send coefs to domains (33.63926s) stopped
T01 << 1462357571.89684701 Blacs Orbital Layouts (1829.05345s) stopped
T01 >> 1462357571.89689803 Calculate projections (1662.67803s) started
T01 << 1462357574.35689092 Calculate projections (1665.13802s) stopped
T01 << 1462357574.35697699 LCAO eigensolver (5330.26305s) stopped
T01 >> 1462357574.35773110 Density (1310.52535s) started
T01 >> 1462357574.35774398 Pseudo density (1084.93421s) started
T01 >> 1462357574.35825491 Calculate density matrix (975.19563s) started
T01 << 1462357575.96852398 Calculate density matrix (976.80590s) stopped
T01 >> 1462357575.96861291 Construct density (108.18888s) started
T01 << 1462357576.15093803 Construct density (108.37121s) stopped
T01 >> 1462357576.15231705 Symmetrize density (0.02740s) started
T01 << 1462357576.15234995 Symmetrize density (0.02743s) stopped
T01 << 1462357576.15279889 Pseudo density (1086.72926s) stopped
T01 >> 1462357576.15282011 Atomic density matrices (149.75446s) started
T01 << 1462357576.39933205 Atomic density matrices (150.00097s) stopped
T01 >> 1462357576.39936805 Multipole moments (2.44043s) started
T01 << 1462357576.40359306 Multipole moments (2.44466s) stopped
T01 >> 1462357576.40361500 Normalize (0.66989s) started
T01 << 1462357576.40475202 Normalize (0.67102s) stopped
T01 >> 1462357576.40478706 Mix (72.68443s) started
T01 << 1462357576.51871204 Mix (72.79836s) stopped
T01 << 1462357576.51882505 Density (1312.68644s) stopped
T01 >> 1462357576.51893401 Hamiltonian (14768.35615s) started
T01 >> 1462357576.51895404 vbar (8.91656s) started
T01 << 1462357576.53398800 vbar (8.93160s) stopped
T01 >> 1462357576.53404999 XC 3D grid (6392.51175s) started
T01 >> 1462357576.71137404 van der Waals (6170.80073s) started
T01 >> 1462357576.75232792 semilocal (1386.79442s) started
T01 << 1462357578.96041989 semilocal (1389.00251s) stopped
T01 >> 1462357578.99304509 redistribute (668.68926s) started
T01 << 1462357579.38900089 redistribute (669.08522s) stopped
T01 >> 1462357579.38906908 libvdwxc nonlocal (4068.19199s) started
T01 << 1462357586.07107997 libvdwxc nonlocal (4074.87400s) stopped
T01 >> 1462357586.07115102 redistribute (669.08526s) started
T01 << 1462357586.71468902 redistribute (669.72880s) stopped
T01 << 1462357586.71597290 van der Waals (6180.80533s) stopped
T01 << 1462357586.89723706 XC 3D grid (6402.87494s) stopped
T01 >> 1462357586.89728689 Poisson (1292.20916s) started
T01 << 1462357589.27981901 Poisson (1294.59169s) stopped
T01 >> 1462357589.27989411 Hartree integrate/restrict (50.67335s) started
T01 << 1462357589.29892492 Hartree integrate/restrict (50.69238s) stopped
T01 >> 1462357589.29899311 Hartree integrate/restrict (50.69242s) started
T01 << 1462357589.36594391 Hartree integrate/restrict (50.75937s) stopped
T01 >> 1462357589.38363600 Atomic (3930.80452s) started
T01 >> 1462357589.39370799 XC Correction (3922.69027s) started
T01 << 1462357595.60144496 XC Correction (3928.89801s) stopped
T01 << 1462357595.60445595 Atomic (3937.02534s) stopped
T01 >> 1462357595.60455608 Communicate (3079.99431s) started
T01 << 1462357601.29045010 Communicate (3085.68020s) stopped
T01 << 1462357601.29047394 Hamiltonian (14793.12769s) stopped
T01 >> 1462357601.29053903 LCAO eigensolver (5330.26306s) started
T01 >> 1462357601.29055190 Potential matrix (172.20183s) started
T01 << 1462357601.55950594 Potential matrix (172.47079s) stopped
T01 >> 1462357601.55957198 DistributedAtomicCorrection (886.88332s) started
T01 << 1462357602.90848088 DistributedAtomicCorrection (888.23222s) stopped
T01 >> 1462357602.90854907 Distribute overlap matrix (776.42066s) started
T01 >> 1462357602.90857005 blocked summation (736.42053s) started
T01 << 1462357604.09627891 blocked summation (737.60824s) stopped
T01 >> 1462357604.09788299 Scalapack redistribute (38.93876s) started
T01 << 1462357604.15643406 Scalapack redistribute (38.99731s) stopped
T01 << 1462357604.15651298 Distribute overlap matrix (777.66862s) stopped
T01 >> 1462357604.15711093 Blacs Orbital Layouts (1829.05347s) started
T01 >> 1462357604.15928292 General diagonalize (1792.35262s) started
T01 << 1462357606.88528490 General diagonalize (1795.07862s) stopped
T01 >> 1462357606.88534999 Redistribute coefs (2.01420s) started
T01 << 1462357606.88836288 Redistribute coefs (2.01722s) stopped
T01 >> 1462357606.88844609 Send coefs to domains (33.63931s) started
T01 << 1462357606.94145107 Send coefs to domains (33.69231s) stopped
T01 << 1462357606.94202590 Blacs Orbital Layouts (1831.83839s) stopped
T01 >> 1462357606.94208407 Calculate projections (1665.13808s) started
T01 << 1462357609.40216899 Calculate projections (1667.59817s) stopped
T01 << 1462357609.40224910 LCAO eigensolver (5338.37477s) stopped
T01 >> 1462357609.40302205 Density (1312.68646s) started
T01 >> 1462357609.40303493 Pseudo density (1086.72928s) started
T01 >> 1462357609.40355206 Calculate density matrix (976.80594s) started
T01 << 1462357611.02059698 Calculate density matrix (978.42298s) stopped
T01 >> 1462357611.02068591 Construct density (108.37123s) started
T01 << 1462357611.20241308 Construct density (108.55296s) stopped
T01 >> 1462357611.20378804 Symmetrize density (0.02744s) started
T01 << 1462357611.20382094 Symmetrize density (0.02748s) stopped
T01 << 1462357611.20426106 Pseudo density (1088.53050s) stopped
T01 >> 1462357611.20427990 Atomic density matrices (150.00100s) started
T01 << 1462357611.45264101 Atomic density matrices (150.24936s) stopped
T01 >> 1462357611.45268106 Multipole moments (2.44467s) started
T01 << 1462357611.45693398 Multipole moments (2.44892s) stopped
T01 >> 1462357611.45695591 Normalize (0.67105s) started
T01 << 1462357611.45808291 Normalize (0.67218s) stopped
T01 >> 1462357611.45811701 Mix (72.79846s) started
T01 << 1462357611.57679605 Mix (72.91714s) stopped
T01 << 1462357611.57692695 Density (1314.86037s) stopped
T01 >> 1462357611.57703590 Hamiltonian (14793.12770s) started
T01 >> 1462357611.57705688 vbar (8.93163s) started
T01 << 1462357611.59177804 vbar (8.94635s) stopped
T01 >> 1462357611.59185505 XC 3D grid (6402.87498s) started
T01 >> 1462357611.76947093 van der Waals (6180.80537s) started
T01 >> 1462357611.81047106 semilocal (1389.00265s) started
T01 << 1462357614.02361989 semilocal (1391.21580s) stopped
T01 >> 1462357614.05589104 redistribute (669.72884s) started
T01 << 1462357614.44856310 redistribute (670.12151s) stopped
T01 >> 1462357614.44863105 libvdwxc nonlocal (4074.87405s) started
T01 << 1462357621.13764095 libvdwxc nonlocal (4081.56306s) stopped
T01 >> 1462357621.13770890 redistribute (670.12155s) started
T01 << 1462357621.79034710 redistribute (670.77419s) stopped
T01 << 1462357621.79131103 van der Waals (6190.82721s) stopped
T01 << 1462357621.97226310 XC 3D grid (6413.25538s) stopped
T01 >> 1462357621.97231293 Poisson (1294.59175s) started
T01 << 1462357624.35858488 Poisson (1296.97802s) stopped
T01 >> 1462357624.35868692 Hartree integrate/restrict (50.75941s) started
T01 << 1462357624.37755990 Hartree integrate/restrict (50.77828s) stopped
T01 >> 1462357624.37766600 Hartree integrate/restrict (50.77835s) started
T01 << 1462357624.43962693 Hartree integrate/restrict (50.84031s) stopped
T01 >> 1462357624.46208405 Atomic (3937.02536s) started
T01 >> 1462357624.47216392 XC Correction (3928.89803s) started
T01 << 1462357630.73604298 XC Correction (3935.16191s) stopped
T01 << 1462357630.73905301 Atomic (3943.30233s) stopped
T01 >> 1462357630.73915100 Communicate (3085.68022s) started
T01 << 1462357635.80503702 Communicate (3090.74610s) stopped
T01 << 1462357635.80506110 Hamiltonian (14817.35573s) stopped
T01 >> 1462357635.80512691 LCAO eigensolver (5338.37478s) started
T01 >> 1462357635.80514097 Potential matrix (172.47082s) started
T01 << 1462357636.07383990 Potential matrix (172.73952s) stopped
T01 >> 1462357636.07390690 DistributedAtomicCorrection (888.23225s) started
T01 << 1462357637.44164205 DistributedAtomicCorrection (889.59999s) stopped
T01 >> 1462357637.44171405 Distribute overlap matrix (777.66863s) started
T01 >> 1462357637.44173503 blocked summation (737.60828s) started
T01 << 1462357638.57968402 blocked summation (738.74623s) stopped
T01 >> 1462357638.58117509 Scalapack redistribute (38.99735s) started
T01 << 1462357638.63898492 Scalapack redistribute (39.05516s) stopped
T01 << 1462357638.63906288 Distribute overlap matrix (778.86598s) stopped
T01 >> 1462357638.63968992 Blacs Orbital Layouts (1831.83841s) started
T01 >> 1462357638.64117908 General diagonalize (1795.07866s) started
T01 << 1462357641.36919498 General diagonalize (1797.80667s) stopped
T01 >> 1462357641.36926103 Redistribute coefs (2.01725s) started
T01 << 1462357641.37287688 Redistribute coefs (2.02087s) stopped
T01 >> 1462357641.37292504 Send coefs to domains (33.69235s) started
T01 << 1462357641.42492890 Send coefs to domains (33.74436s) stopped
T01 << 1462357641.42525792 Blacs Orbital Layouts (1834.62398s) stopped
T01 >> 1462357641.42530894 Calculate projections (1667.59823s) started
T01 << 1462357643.88555694 Calculate projections (1670.05847s) stopped
T01 << 1462357643.88563991 LCAO eigensolver (5346.45530s) stopped
T01 >> 1462357643.88639808 Density (1314.86038s) started
T01 >> 1462357643.88641191 Pseudo density (1088.53052s) started
T01 >> 1462357643.88692689 Calculate density matrix (978.42303s) started
T01 << 1462357645.50794196 Calculate density matrix (980.04404s) stopped
T01 >> 1462357645.50802994 Construct density (108.55299s) started
T01 << 1462357645.68965697 Construct density (108.73462s) stopped
T01 >> 1462357645.69104910 Symmetrize density (0.02749s) started
T01 << 1462357645.69108295 Symmetrize density (0.02752s) stopped
T01 << 1462357645.69151998 Pseudo density (1090.33562s) stopped
T01 >> 1462357645.69154000 Atomic density matrices (150.24939s) started
T01 << 1462357645.94017911 Atomic density matrices (150.49803s) stopped
T01 >> 1462357645.94021511 Multipole moments (2.44894s) started
T01 << 1462357645.94443607 Multipole moments (2.45316s) stopped
T01 >> 1462357645.94445801 Normalize (0.67220s) started
T01 << 1462357645.94559789 Normalize (0.67334s) stopped
T01 >> 1462357645.94563389 Mix (72.91727s) started
T01 << 1462357646.06687403 Mix (73.03851s) stopped
T01 << 1462357646.06698203 Density (1317.04097s) stopped
T01 >> 1462357646.06709599 Hamiltonian (14817.35574s) started
T01 >> 1462357646.06711698 vbar (8.94640s) started
T01 << 1462357646.08157897 vbar (8.96086s) stopped
T01 >> 1462357646.08165693 XC 3D grid (6413.25542s) started
T01 >> 1462357646.25977111 van der Waals (6190.82723s) started
T01 >> 1462357646.29985499 semilocal (1391.21590s) started
T01 << 1462357648.53255200 semilocal (1393.44860s) stopped
T01 >> 1462357648.56279492 redistribute (670.77423s) started
T01 << 1462357648.93947506 redistribute (671.15091s) stopped
T01 >> 1462357648.93954206 libvdwxc nonlocal (4081.56310s) started
T01 << 1462357655.61253691 libvdwxc nonlocal (4088.23609s) stopped
T01 >> 1462357655.61261892 redistribute (671.15095s) started
T01 << 1462357656.28051901 redistribute (671.81885s) stopped
T01 << 1462357656.28206301 van der Waals (6200.84952s) stopped
T01 << 1462357656.45613909 XC 3D grid (6423.62990s) stopped
T01 >> 1462357656.45619702 Poisson (1296.97810s) started
T01 << 1462357658.83303499 Poisson (1299.35493s) stopped
T01 >> 1462357658.83311200 Hartree integrate/restrict (50.84035s) started
T01 << 1462357658.85242295 Hartree integrate/restrict (50.85966s) stopped
T01 >> 1462357658.85247397 Hartree integrate/restrict (50.85970s) started
T01 << 1462357658.92097306 Hartree integrate/restrict (50.92820s) stopped
T01 >> 1462357658.93701410 Atomic (3943.30234s) started
T01 >> 1462357658.94719410 XC Correction (3935.16194s) started
T01 << 1462357665.24139905 XC Correction (3941.45614s) stopped
T01 << 1462357665.24443507 Atomic (3949.60977s) stopped
T01 >> 1462357665.24453712 Communicate (3090.74612s) started
T01 << 1462357670.29249406 Communicate (3095.79408s) stopped
T01 << 1462357670.29251790 Hamiltonian (14841.58116s) stopped
T01 >> 1462357670.29257989 LCAO eigensolver (5346.45531s) started
T01 >> 1462357670.29259300 Potential matrix (172.73955s) started
T01 << 1462357670.56177807 Potential matrix (173.00874s) stopped
T01 >> 1462357670.56184411 DistributedAtomicCorrection (889.60002s) started
T01 << 1462357671.92796111 DistributedAtomicCorrection (890.96614s) stopped
T01 >> 1462357671.92802906 Distribute overlap matrix (778.86600s) started
T01 >> 1462357671.92805004 blocked summation (738.74626s) started
T01 << 1462357673.06606603 blocked summation (739.88428s) stopped
T01 >> 1462357673.06771207 Scalapack redistribute (39.05519s) started
T01 << 1462357673.12951994 Scalapack redistribute (39.11700s) stopped
T01 << 1462357673.12959790 Distribute overlap matrix (780.06757s) stopped
T01 >> 1462357673.13018203 Blacs Orbital Layouts (1834.62399s) started
T01 >> 1462357673.13156104 General diagonalize (1797.80671s) started
T01 << 1462357675.83895302 General diagonalize (1800.51410s) stopped
T01 >> 1462357675.83901906 Redistribute coefs (2.02091s) started
T01 << 1462357675.84275603 Redistribute coefs (2.02464s) stopped
T01 >> 1462357675.84280205 Send coefs to domains (33.74440s) started
T01 << 1462357675.89427590 Send coefs to domains (33.79587s) stopped
T01 << 1462357675.89461303 Blacs Orbital Layouts (1837.38842s) stopped
T01 >> 1462357675.89467192 Calculate projections (1670.05853s) started
T01 << 1462357678.35478401 Calculate projections (1672.51864s) stopped
T01 << 1462357678.35506010 LCAO eigensolver (5354.51779s) stopped
T01 >> 1462357678.35579705 Density (1317.04099s) started
T01 >> 1462357678.35580993 Pseudo density (1090.33564s) started
T01 >> 1462357678.35632396 Calculate density matrix (980.04408s) started
T01 << 1462357679.97568202 Calculate density matrix (981.66344s) stopped
T01 >> 1462357679.97576690 Construct density (108.73464s) started
T01 << 1462357680.15807796 Construct density (108.91695s) stopped
T01 >> 1462357680.16034698 Symmetrize density (0.02753s) started
T01 << 1462357680.16037989 Symmetrize density (0.02756s) stopped
T01 << 1462357680.16082811 Pseudo density (1092.14066s) stopped
T01 >> 1462357680.16084790 Atomic density matrices (150.49805s) started
T01 << 1462357680.40721512 Atomic density matrices (150.74442s) stopped
T01 >> 1462357680.40725207 Multipole moments (2.45317s) started
T01 << 1462357680.41147494 Multipole moments (2.45739s) stopped
T01 >> 1462357680.41149712 Normalize (0.67337s) started
T01 << 1462357680.41262698 Normalize (0.67450s) stopped
T01 >> 1462357680.41266704 Mix (73.03861s) started
T01 << 1462357680.53411102 Mix (73.16005s) stopped
T01 << 1462357680.53423500 Density (1319.21943s) stopped
T01 >> 1462357680.53435612 Hamiltonian (14841.58118s) started
T01 >> 1462357680.53437901 vbar (8.96090s) started
T01 << 1462357680.54882002 vbar (8.97535s) stopped
T01 >> 1462357680.54890108 XC 3D grid (6423.62994s) started
T01 >> 1462357680.72406912 van der Waals (6200.84957s) started
T01 >> 1462357680.76432991 semilocal (1393.44867s) started
T01 << 1462357682.97851491 semilocal (1395.66285s) stopped
T01 >> 1462357683.00952697 redistribute (671.81896s) started
T01 << 1462357683.40706897 redistribute (672.21650s) stopped
T01 >> 1462357683.40713692 libvdwxc nonlocal (4088.23615s) started
T01 << 1462357690.08482409 libvdwxc nonlocal (4094.91383s) stopped
T01 >> 1462357690.08490610 redistribute (672.21654s) started
T01 << 1462357690.74842501 redistribute (672.88006s) stopped
T01 << 1462357690.75015712 van der Waals (6210.87566s) stopped
T01 << 1462357690.92084098 XC 3D grid (6434.00188s) stopped
T01 >> 1462357690.92089105 Poisson (1299.35499s) started
T01 << 1462357693.30094004 Poisson (1301.73504s) stopped
T01 >> 1462357693.30101109 Hartree integrate/restrict (50.92824s) started
T01 << 1462357693.31994104 Hartree integrate/restrict (50.94717s) stopped
T01 >> 1462357693.31999898 Hartree integrate/restrict (50.94721s) started
T01 << 1462357693.38768196 Hartree integrate/restrict (51.01490s) stopped
T01 >> 1462357693.40495801 Atomic (3949.60978s) started
T01 >> 1462357693.41525197 XC Correction (3941.45616s) started
T01 << 1462357699.69547105 XC Correction (3947.73638s) stopped
T01 << 1462357699.69852805 Atomic (3955.90335s) stopped
T01 >> 1462357699.69862700 Communicate (3095.79409s) started
T01 << 1462357704.80208492 Communicate (3100.89755s) stopped
T01 << 1462357704.80210805 Hamiltonian (14865.84893s) stopped
T01 >> 1462357704.80217290 LCAO eigensolver (5354.51781s) started
T01 >> 1462357704.80218601 Potential matrix (173.00877s) started
T01 << 1462357705.07405305 Potential matrix (173.28064s) stopped
T01 >> 1462357705.07412004 DistributedAtomicCorrection (890.96616s) started
T01 << 1462357706.44800210 DistributedAtomicCorrection (892.34005s) stopped
T01 >> 1462357706.44807005 Distribute overlap matrix (780.06758s) started
T01 >> 1462357706.44809103 blocked summation (739.88432s) started
T01 << 1462357707.58120298 blocked summation (741.01743s) stopped
T01 >> 1462357707.58346200 Scalapack redistribute (39.11704s) started
T01 << 1462357707.64160490 Scalapack redistribute (39.17518s) stopped
T01 << 1462357707.64170694 Distribute overlap matrix (781.26122s) stopped
T01 >> 1462357707.64233303 Blacs Orbital Layouts (1837.38844s) started
T01 >> 1462357707.64385104 General diagonalize (1800.51414s) started
T01 << 1462357710.37188697 General diagonalize (1803.24218s) stopped
T01 >> 1462357710.37195396 Redistribute coefs (2.02468s) started
T01 << 1462357710.37516308 Redistribute coefs (2.02789s) stopped
T01 >> 1462357710.37521195 Send coefs to domains (33.79591s) started
T01 << 1462357710.42814112 Send coefs to domains (33.84884s) stopped
T01 << 1462357710.42850208 Blacs Orbital Layouts (1840.17461s) stopped
T01 >> 1462357710.42855310 Calculate projections (1672.51870s) started
T01 << 1462357712.88866901 Calculate projections (1674.97882s) stopped
T01 << 1462357712.88910389 LCAO eigensolver (5362.60474s) stopped
T01 >> 1462357712.88982296 Density (1319.21945s) started
T01 >> 1462357712.88983607 Pseudo density (1092.14067s) started
T01 >> 1462357712.89034009 Calculate density matrix (981.66348s) started
T01 << 1462357714.51261997 Calculate density matrix (983.28576s) stopped
T01 >> 1462357714.51271296 Construct density (108.91698s) started
T01 << 1462357714.69437289 Construct density (109.09864s) stopped
T01 >> 1462357714.69576001 Symmetrize density (0.02758s) started
T01 << 1462357714.69579196 Symmetrize density (0.02761s) stopped
T01 << 1462357714.69622898 Pseudo density (1093.94707s) stopped
T01 >> 1462357714.69625211 Atomic density matrices (150.74444s) started
T01 << 1462357714.94555402 Atomic density matrices (150.99374s) stopped
T01 >> 1462357714.94559002 Multipole moments (2.45741s) started
T01 << 1462357714.94983506 Multipole moments (2.46165s) stopped
T01 >> 1462357714.94985700 Normalize (0.67453s) started
T01 << 1462357714.95100188 Normalize (0.67567s) stopped
T01 >> 1462357714.95103788 Mix (73.16017s) started
T01 << 1462357715.07331395 Mix (73.28245s) stopped
T01 << 1462357715.07343292 Density (1321.40306s) stopped
T01 >> 1462357715.07355309 Hamiltonian (14865.84894s) started
T01 >> 1462357715.07357693 vbar (8.97539s) started
T01 << 1462357715.08799195 vbar (8.98981s) stopped
T01 >> 1462357715.08807206 XC 3D grid (6434.00192s) started
T01 >> 1462357715.26470494 van der Waals (6210.87576s) started
T01 >> 1462357715.30543590 semilocal (1395.66296s) started
T01 << 1462357717.51193500 semilocal (1397.86946s) stopped
T01 >> 1462357717.54351902 redistribute (672.88016s) started
T01 << 1462357717.94224405 redistribute (673.27889s) stopped
T01 >> 1462357717.94231105 libvdwxc nonlocal (4094.91388s) started
T01 << 1462357724.64157796 libvdwxc nonlocal (4101.61315s) stopped
T01 >> 1462357724.64169192 redistribute (673.27893s) started
T01 << 1462357725.29658508 redistribute (673.93382s) stopped
T01 << 1462357725.29773998 van der Waals (6220.90880s) stopped
T01 << 1462357725.48128796 XC 3D grid (6444.39514s) stopped
T01 >> 1462357725.48133612 Poisson (1301.73509s) started
T01 << 1462357727.86626196 Poisson (1304.12002s) stopped
T01 >> 1462357727.86633205 Hartree integrate/restrict (51.01494s) started
T01 << 1462357727.88503504 Hartree integrate/restrict (51.03364s) stopped
T01 >> 1462357727.88509393 Hartree integrate/restrict (51.03368s) started
T01 << 1462357727.94714999 Hartree integrate/restrict (51.09573s) stopped
T01 >> 1462357727.97072411 Atomic (3955.90337s) started
T01 >> 1462357727.98098207 XC Correction (3947.73641s) started
T01 << 1462357734.31425095 XC Correction (3954.06968s) stopped
T01 << 1462357734.31729603 Atomic (3962.24994s) stopped
T01 >> 1462357734.31739712 Communicate (3100.89757s) started
T01 << 1462357739.46266198 Communicate (3106.04283s) stopped
T01 << 1462357739.46268511 Hamiltonian (14890.23807s) stopped
T01 >> 1462357739.46274996 LCAO eigensolver (5362.60476s) started
T01 >> 1462357739.46276307 Potential matrix (173.28067s) started
T01 << 1462357739.73023891 Potential matrix (173.54815s) stopped
T01 >> 1462357739.73030496 DistributedAtomicCorrection (892.34007s) started
T01 << 1462357741.09654808 DistributedAtomicCorrection (893.70632s) stopped
T01 >> 1462357741.09661508 Distribute overlap matrix (781.26123s) started
T01 >> 1462357741.09663701 blocked summation (741.01747s) started
T01 << 1462357742.23882198 blocked summation (742.15965s) stopped
T01 >> 1462357742.24025011 Scalapack redistribute (39.17523s) started
T01 << 1462357742.29994702 Scalapack redistribute (39.23493s) stopped
T01 << 1462357742.30004311 Distribute overlap matrix (782.46466s) stopped
T01 >> 1462357742.30068302 Blacs Orbital Layouts (1840.17463s) started
T01 >> 1462357742.30221891 General diagonalize (1803.24221s) started
T01 << 1462357745.01454091 General diagonalize (1805.95454s) stopped
T01 >> 1462357745.01460600 Redistribute coefs (2.02793s) started
T01 << 1462357745.01826811 Redistribute coefs (2.03159s) stopped
T01 >> 1462357745.01831508 Send coefs to domains (33.84888s) started
T01 << 1462357745.06996799 Send coefs to domains (33.90054s) stopped
T01 << 1462357745.07029891 Blacs Orbital Layouts (1842.94424s) stopped
T01 >> 1462357745.07034707 Calculate projections (1674.97888s) started
T01 << 1462357747.53055692 Calculate projections (1677.43909s) stopped
T01 << 1462357747.53083897 LCAO eigensolver (5370.67285s) stopped
T01 >> 1462357747.53153706 Density (1321.40308s) started
T01 >> 1462357747.53155088 Pseudo density (1093.94708s) started
T01 >> 1462357747.53207207 Calculate density matrix (983.28581s) started
T01 << 1462357749.15203404 Calculate density matrix (984.90577s) stopped
T01 >> 1462357749.15212107 Construct density (109.09867s) started
T01 << 1462357749.33366704 Construct density (109.28021s) stopped
T01 >> 1462357749.33506393 Symmetrize density (0.02762s) started
T01 << 1462357749.33509707 Symmetrize density (0.02765s) stopped
T01 << 1462357749.33553410 Pseudo density (1095.75106s) stopped
T01 >> 1462357749.33555388 Atomic density matrices (150.99377s) started
T01 << 1462357749.58489108 Atomic density matrices (151.24311s) stopped
T01 >> 1462357749.58492708 Multipole moments (2.46167s) started
T01 << 1462357749.58915901 Multipole moments (2.46590s) stopped
T01 >> 1462357749.58918095 Normalize (0.67570s) started
T01 << 1462357749.59031701 Normalize (0.67683s) stopped
T01 >> 1462357749.59038806 Mix (73.28256s) started
T01 << 1462357749.71141601 Mix (73.40359s) stopped
T01 << 1462357749.71150303 Density (1323.58304s) stopped
T01 >> 1462357749.71162105 Hamiltonian (14890.23809s) started
T01 >> 1462357749.71164107 vbar (8.98985s) started
T01 << 1462357749.72614908 vbar (9.00436s) stopped
T01 >> 1462357749.72622299 XC 3D grid (6444.39517s) started
T01 >> 1462357749.90623903 van der Waals (6220.90883s) started
T01 >> 1462357749.94635010 semilocal (1397.86954s) started
T01 << 1462357752.16535997 semilocal (1400.08855s) stopped
T01 >> 1462357752.19606900 redistribute (673.93386s) started
T01 << 1462357752.58592510 redistribute (674.32372s) stopped
T01 >> 1462357752.58599210 libvdwxc nonlocal (4101.61321s) started
T01 << 1462357759.27359700 libvdwxc nonlocal (4108.30081s) stopped
T01 >> 1462357759.27370906 redistribute (674.32376s) started
T01 << 1462357759.92394495 redistribute (674.97399s) stopped
T01 << 1462357759.92506790 van der Waals (6230.92766s) stopped
T01 << 1462357760.10787606 XC 3D grid (6454.77683s) stopped
T01 >> 1462357760.10792208 Poisson (1304.12007s) started
T01 << 1462357761.90637898 Poisson (1305.91852s) stopped
T01 >> 1462357761.90645099 Hartree integrate/restrict (51.09580s) started
T01 << 1462357761.92529392 Hartree integrate/restrict (51.11464s) stopped
T01 >> 1462357761.92534494 Hartree integrate/restrict (51.11468s) started
T01 << 1462357761.98652005 Hartree integrate/restrict (51.17585s) stopped
T01 >> 1462357762.00607896 Atomic (3962.24996s) started
T01 >> 1462357762.01626396 XC Correction (3954.06970s) started
T01 << 1462357768.42989492 XC Correction (3960.48333s) stopped
T01 << 1462357768.43290710 Atomic (3968.67679s) stopped
T01 >> 1462357768.43301010 Communicate (3106.04285s) started
T01 << 1462357773.51368999 Communicate (3111.12353s) stopped
T01 << 1462357773.51371288 Hamiltonian (14914.04018s) stopped
T01 >> 1462357773.51378107 LCAO eigensolver (5370.67287s) started
T01 >> 1462357773.51379395 Potential matrix (173.54818s) started
T01 << 1462357773.78319693 Potential matrix (173.81758s) stopped
T01 >> 1462357773.78326511 DistributedAtomicCorrection (893.70634s) started
T01 << 1462357775.16002488 DistributedAtomicCorrection (895.08310s) stopped
T01 >> 1462357775.16009212 Distribute overlap matrix (782.46467s) started
T01 >> 1462357775.16011310 blocked summation (742.15969s) started
T01 << 1462357776.31116199 blocked summation (743.31074s) stopped
T01 >> 1462357776.31283498 Scalapack redistribute (39.23498s) started
T01 << 1462357776.37009597 Scalapack redistribute (39.29224s) stopped
T01 << 1462357776.37018800 Distribute overlap matrix (783.67476s) stopped
T01 >> 1462357776.37081194 Blacs Orbital Layouts (1842.94426s) started
T01 >> 1462357776.37235308 General diagonalize (1805.95458s) started
T01 << 1462357779.06940293 General diagonalize (1808.65163s) stopped
T01 >> 1462357779.06946898 Redistribute coefs (2.03163s) started
T01 << 1462357779.07214904 Redistribute coefs (2.03431s) stopped
T01 >> 1462357779.07223296 Send coefs to domains (33.90058s) started
T01 << 1462357779.12511206 Send coefs to domains (33.95346s) stopped
T01 << 1462357779.12546110 Blacs Orbital Layouts (1845.69891s) stopped
T01 >> 1462357779.12551308 Calculate projections (1677.43914s) started
T01 << 1462357781.58584905 Calculate projections (1679.89948s) stopped
T01 << 1462357781.58612609 LCAO eigensolver (5378.74521s) stopped
T01 >> 1462357781.58700395 Density (1323.58306s) started
T01 >> 1462357781.58701801 Pseudo density (1095.75108s) started
T01 >> 1462357781.58752394 Calculate density matrix (984.90581s) started
T01 << 1462357783.20780611 Calculate density matrix (986.52609s) stopped
T01 >> 1462357783.20788789 Construct density (109.28024s) started
T01 << 1462357783.38980508 Construct density (109.46216s) stopped
T01 >> 1462357783.39134693 Symmetrize density (0.02766s) started
T01 << 1462357783.39138103 Symmetrize density (0.02770s) stopped
T01 << 1462357783.39182806 Pseudo density (1097.55589s) stopped
T01 >> 1462357783.39184809 Atomic density matrices (151.24313s) started
T01 << 1462357783.63933206 Atomic density matrices (151.49061s) stopped
T01 >> 1462357783.63936806 Multipole moments (2.46591s) started
T01 << 1462357783.64360094 Multipole moments (2.47015s) stopped
T01 >> 1462357783.64362311 Normalize (0.67689s) started
T01 << 1462357783.64476705 Normalize (0.67804s) stopped
T01 >> 1462357783.64480209 Mix (73.40367s) started
T01 << 1462357783.76714706 Mix (73.52602s) stopped
T01 << 1462357783.76723599 Density (1325.76329s) stopped
T01 >> 1462357783.76734400 Hamiltonian (14914.04019s) started
T01 >> 1462357783.76736403 vbar (9.00440s) started
T01 << 1462357783.78174496 vbar (9.01878s) stopped
T01 >> 1462357783.78181291 XC 3D grid (6454.77686s) started
T01 >> 1462357783.95811796 van der Waals (6230.92770s) started
T01 >> 1462357783.99894500 semilocal (1400.08867s) started
T01 << 1462357786.21499395 semilocal (1402.30472s) stopped
T01 >> 1462357786.24554610 redistribute (674.97404s) started
T01 << 1462357786.64838910 redistribute (675.37688s) stopped
T01 >> 1462357786.64845800 libvdwxc nonlocal (4108.30089s) started
T01 << 1462357793.33691812 libvdwxc nonlocal (4114.98935s) stopped
T01 >> 1462357793.33699989 redistribute (675.37692s) started
T01 << 1462357793.98865700 redistribute (676.02858s) stopped
T01 << 1462357793.98980689 van der Waals (6240.95939s) stopped
T01 << 1462357794.17367911 XC 3D grid (6465.16873s) stopped
T01 >> 1462357794.17372799 Poisson (1305.91858s) started
T01 << 1462357795.97016191 Poisson (1307.71501s) stopped
T01 >> 1462357795.97022891 Hartree integrate/restrict (51.17588s) started
T01 << 1462357795.98949695 Hartree integrate/restrict (51.19515s) stopped
T01 >> 1462357795.98956490 Hartree integrate/restrict (51.19520s) started
T01 << 1462357796.05113506 Hartree integrate/restrict (51.25677s) stopped
T01 >> 1462357796.07450891 Atomic (3968.67680s) started
T01 >> 1462357796.08470607 XC Correction (3960.48335s) started
T01 << 1462357802.33743405 XC Correction (3966.73608s) stopped
T01 << 1462357802.34044695 Atomic (3974.94274s) stopped
T01 >> 1462357802.34054804 Communicate (3111.12354s) started
T01 << 1462357807.60642290 Communicate (3116.38942s) stopped
T01 << 1462357807.60644603 Hamiltonian (14937.87929s) stopped
T01 >> 1462357807.60650897 LCAO eigensolver (5378.74523s) started
T01 >> 1462357807.60652208 Potential matrix (173.81762s) started
T01 << 1462357807.87479806 Potential matrix (174.08589s) stopped
T01 >> 1462357807.87486291 DistributedAtomicCorrection (895.08313s) started
T01 << 1462357809.26085901 DistributedAtomicCorrection (896.46913s) stopped
T01 >> 1462357809.26092911 Distribute overlap matrix (783.67478s) started
T01 >> 1462357809.26095009 blocked summation (743.31078s) started
T01 << 1462357810.37889791 blocked summation (744.42873s) stopped
T01 >> 1462357810.38114810 Scalapack redistribute (39.29229s) started
T01 << 1462357810.43942690 Scalapack redistribute (39.35057s) stopped
T01 << 1462357810.43952298 Distribute overlap matrix (784.85337s) stopped
T01 >> 1462357810.44016194 Blacs Orbital Layouts (1845.69893s) started
T01 >> 1462357810.44168806 General diagonalize (1808.65166s) started
T01 << 1462357813.15781498 General diagonalize (1811.36779s) stopped
T01 >> 1462357813.15788102 Redistribute coefs (2.03434s) started
T01 << 1462357813.16077900 Redistribute coefs (2.03724s) stopped
T01 >> 1462357813.16086102 Send coefs to domains (33.95350s) started
T01 << 1462357813.21341896 Send coefs to domains (34.00606s) stopped
T01 << 1462357813.21377897 Blacs Orbital Layouts (1848.47255s) stopped
T01 >> 1462357813.21383309 Calculate projections (1679.89954s) started
T01 << 1462357815.67379904 Calculate projections (1682.35950s) stopped
T01 << 1462357815.67423296 LCAO eigensolver (5386.81296s) stopped
T01 >> 1462357815.67496610 Density (1325.76331s) started
T01 >> 1462357815.67497897 Pseudo density (1097.55590s) started
T01 >> 1462357815.67549396 Calculate density matrix (986.52613s) started
T01 << 1462357817.29506397 Calculate density matrix (988.14570s) stopped
T01 >> 1462357817.29514599 Construct density (109.46218s) started
T01 << 1462357817.47677994 Construct density (109.64382s) stopped
T01 >> 1462357817.47820210 Symmetrize density (0.02771s) started
T01 << 1462357817.47823405 Symmetrize density (0.02774s) stopped
T01 << 1462357817.47868490 Pseudo density (1099.35961s) stopped
T01 >> 1462357817.47870398 Atomic density matrices (151.49064s) started
T01 << 1462357817.72669196 Atomic density matrices (151.73862s) stopped
T01 >> 1462357817.72672892 Multipole moments (2.47016s) started
T01 << 1462357817.73097897 Multipole moments (2.47441s) stopped
T01 >> 1462357817.73100090 Normalize (0.67806s) started
T01 << 1462357817.73214698 Normalize (0.67921s) stopped
T01 >> 1462357817.73218203 Mix (73.52610s) started
T01 << 1462357817.85456395 Mix (73.64848s) stopped
T01 << 1462357817.85462403 Density (1327.94297s) stopped
T01 >> 1462357817.85472989 Hamiltonian (14937.87931s) started
T01 >> 1462357817.85475111 vbar (9.01882s) started
T01 << 1462357817.86933494 vbar (9.03340s) stopped
T01 >> 1462357817.86939692 XC 3D grid (6465.16876s) started
T01 >> 1462357818.04767895 van der Waals (6240.95942s) started
T01 >> 1462357818.08811998 semilocal (1402.30482s) started
T01 << 1462357820.28718996 semilocal (1404.50389s) stopped
T01 >> 1462357820.32154608 redistribute (676.02862s) started
T01 << 1462357820.74270201 redistribute (676.44978s) stopped
T01 >> 1462357820.74277091 libvdwxc nonlocal (4114.98941s) started
T01 << 1462357827.44902396 libvdwxc nonlocal (4121.69566s) stopped
T01 >> 1462357827.44911599 redistribute (676.44982s) started
T01 << 1462357828.09671688 redistribute (677.09742s) stopped
T01 << 1462357828.09787703 van der Waals (6251.00962s) stopped
T01 << 1462357828.28078890 XC 3D grid (6475.58015s) stopped
T01 >> 1462357828.28083611 Poisson (1307.71506s) started
T01 << 1462357830.07804990 Poisson (1309.51227s) stopped
T01 >> 1462357830.07813191 Hartree integrate/restrict (51.25680s) started
T01 << 1462357830.09702206 Hartree integrate/restrict (51.27569s) stopped
T01 >> 1462357830.09707689 Hartree integrate/restrict (51.27573s) started
T01 << 1462357830.15893888 Hartree integrate/restrict (51.33759s) stopped
T01 >> 1462357830.18196607 Atomic (3974.94276s) started
T01 >> 1462357830.19210410 XC Correction (3966.73611s) started
T01 << 1462357836.45733809 XC Correction (3973.00134s) stopped
T01 << 1462357836.46037197 Atomic (3981.22116s) stopped
T01 >> 1462357836.46047401 Communicate (3116.38943s) started
T01 << 1462357841.52785301 Communicate (3121.45681s) stopped
T01 << 1462357841.52787709 Hamiltonian (14961.55245s) stopped
T01 >> 1462357841.52794003 LCAO eigensolver (5386.81298s) started
T01 >> 1462357841.52795291 Potential matrix (174.08593s) started
T01 << 1462357841.79589701 Potential matrix (174.35387s) stopped
T01 >> 1462357841.79596305 DistributedAtomicCorrection (896.46916s) started
T01 << 1462357843.16491008 DistributedAtomicCorrection (897.83810s) stopped
T01 >> 1462357843.16497707 Distribute overlap matrix (784.85338s) started
T01 >> 1462357843.16499901 blocked summation (744.42877s) started
T01 << 1462357844.32232189 blocked summation (745.58609s) stopped
T01 >> 1462357844.32378602 Scalapack redistribute (39.35062s) started
T01 << 1462357844.38363791 Scalapack redistribute (39.41047s) stopped
T01 << 1462357844.38373590 Distribute overlap matrix (786.07214s) stopped
T01 >> 1462357844.38437700 Blacs Orbital Layouts (1848.47257s) started
T01 >> 1462357844.38592196 General diagonalize (1811.36783s) started
T01 << 1462357847.08253598 General diagonalize (1814.06444s) stopped
T01 >> 1462357847.08260202 Redistribute coefs (2.03728s) started
T01 << 1462357847.08536696 Redistribute coefs (2.04004s) stopped
T01 >> 1462357847.08545399 Send coefs to domains (34.00610s) started
T01 << 1462357847.13789296 Send coefs to domains (34.05854s) stopped
T01 << 1462357847.13824892 Blacs Orbital Layouts (1851.22644s) stopped
T01 >> 1462357847.13830400 Calculate projections (1682.35956s) started
T01 << 1462357849.59843206 Calculate projections (1684.81969s) stopped
T01 << 1462357849.59870911 LCAO eigensolver (5394.88375s) stopped
T01 >> 1462357849.59941792 Density (1327.94298s) started
T01 >> 1462357849.59943199 Pseudo density (1099.35962s) started
T01 >> 1462357849.59994793 Calculate density matrix (988.14575s) started
T01 << 1462357851.22067809 Calculate density matrix (989.76648s) stopped
T01 >> 1462357851.22076392 Construct density (109.64388s) started
T01 << 1462357851.40227199 Construct density (109.82539s) stopped
T01 >> 1462357851.40365100 Symmetrize density (0.02775s) started
T01 << 1462357851.40368509 Symmetrize density (0.02779s) stopped
T01 << 1462357851.40411806 Pseudo density (1101.16431s) stopped
T01 >> 1462357851.40413809 Atomic density matrices (151.73865s) started
T01 << 1462357851.65360403 Atomic density matrices (151.98812s) stopped
T01 >> 1462357851.65364099 Multipole moments (2.47443s) started
T01 << 1462357851.65788889 Multipole moments (2.47867s) stopped
T01 >> 1462357851.65791106 Normalize (0.67924s) started
T01 << 1462357851.65904999 Normalize (0.68037s) stopped
T01 >> 1462357851.65908504 Mix (73.64854s) started
T01 << 1462357851.78087497 Mix (73.77033s) stopped
T01 << 1462357851.78099704 Density (1330.12456s) stopped
T01 >> 1462357851.78112888 Hamiltonian (14961.55246s) started
T01 >> 1462357851.78115010 vbar (9.03344s) started
T01 << 1462357851.79571795 vbar (9.04801s) stopped
T01 >> 1462357851.79579806 XC 3D grid (6475.58019s) started
T01 >> 1462357851.97900391 van der Waals (6251.00965s) started
T01 >> 1462357852.01895499 semilocal (1404.50399s) started
T01 << 1462357854.25014400 semilocal (1406.73518s) stopped
T01 >> 1462357854.28039598 redistribute (677.09746s) started
T01 << 1462357854.65464711 redistribute (677.47171s) stopped
T01 >> 1462357854.65471506 libvdwxc nonlocal (4121.69572s) started
T01 << 1462357861.32083201 libvdwxc nonlocal (4128.36184s) stopped
T01 >> 1462357861.32089591 redistribute (677.47175s) started
T01 << 1462357861.98338103 redistribute (678.13423s) stopped
T01 << 1462357861.98492789 van der Waals (6261.01558s) stopped
T01 << 1462357862.15806293 XC 3D grid (6485.94245s) stopped
T01 >> 1462357862.15811396 Poisson (1309.51233s) started
T01 << 1462357863.36797309 Poisson (1310.72219s) stopped
T01 >> 1462357863.36806393 Hartree integrate/restrict (51.33763s) started
T01 << 1462357863.38727808 Hartree integrate/restrict (51.35685s) stopped
T01 >> 1462357863.38734603 Hartree integrate/restrict (51.35689s) started
T01 << 1462357863.44973898 Hartree integrate/restrict (51.41929s) stopped
T01 >> 1462357863.47234011 Atomic (3981.22118s) started
T01 >> 1462357863.48254108 XC Correction (3973.00136s) started
T01 << 1462357869.74492908 XC Correction (3979.26375s) stopped
T01 << 1462357869.74793291 Atomic (3987.49677s) stopped
T01 >> 1462357869.74803209 Communicate (3121.45683s) started
T01 << 1462357874.83492994 Communicate (3126.54373s) stopped
T01 << 1462357874.83495307 Hamiltonian (14984.60629s) stopped
T01 >> 1462357874.83501697 LCAO eigensolver (5394.88376s) started
T01 >> 1462357874.83503008 Potential matrix (174.35390s) started
T01 << 1462357875.10408306 Potential matrix (174.62296s) stopped
T01 >> 1462357875.10415006 DistributedAtomicCorrection (897.83813s) started
T01 << 1462357876.46691990 DistributedAtomicCorrection (899.20090s) stopped
T01 >> 1462357876.46698809 Distribute overlap matrix (786.07215s) started
T01 >> 1462357876.46701002 blocked summation (745.58613s) started
T01 << 1462357877.63320494 blocked summation (746.75232s) stopped
T01 >> 1462357877.63543200 Scalapack redistribute (39.41052s) started
T01 << 1462357877.69275689 Scalapack redistribute (39.46785s) stopped
T01 << 1462357877.69285798 Distribute overlap matrix (787.29802s) stopped
T01 >> 1462357877.69348001 Blacs Orbital Layouts (1851.22646s) started
T01 >> 1462357877.69510603 General diagonalize (1814.06448s) started
T01 << 1462357880.39464688 General diagonalize (1816.76402s) stopped
T01 >> 1462357880.39471197 Redistribute coefs (2.04008s) started
T01 << 1462357880.39775491 Redistribute coefs (2.04312s) stopped
T01 >> 1462357880.39780211 Send coefs to domains (34.05858s) started
T01 << 1462357880.45007491 Send coefs to domains (34.11086s) stopped
T01 << 1462357880.45041490 Blacs Orbital Layouts (1853.98339s) stopped
T01 >> 1462357880.45051408 Calculate projections (1684.81975s) started
T01 << 1462357882.91049600 Calculate projections (1687.27973s) stopped
T01 << 1462357882.91093707 LCAO eigensolver (5402.95968s) stopped
T01 >> 1462357882.91165805 Density (1330.12458s) started
T01 >> 1462357882.91167092 Pseudo density (1101.16432s) started
T01 >> 1462357882.91217804 Calculate density matrix (989.76652s) started
T01 << 1462357884.53206992 Calculate density matrix (991.38641s) stopped
T01 >> 1462357884.53215003 Construct density (109.82541s) started
T01 << 1462357884.71388602 Construct density (110.00715s) stopped
T01 >> 1462357884.71612501 Symmetrize density (0.02780s) started
T01 << 1462357884.71615696 Symmetrize density (0.02783s) stopped
T01 << 1462357884.71659589 Pseudo density (1102.96925s) stopped
T01 >> 1462357884.71661592 Atomic density matrices (151.98814s) started
T01 << 1462357884.96535110 Atomic density matrices (152.23688s) stopped
T01 >> 1462357884.96538806 Multipole moments (2.47869s) started
T01 << 1462357884.96966100 Multipole moments (2.48296s) stopped
T01 >> 1462357884.96968293 Normalize (0.68040s) started
T01 << 1462357884.97081995 Normalize (0.68154s) stopped
T01 >> 1462357884.97085404 Mix (73.77045s) started
T01 << 1462357885.09216690 Mix (73.89176s) stopped
T01 << 1462357885.09227800 Density (1332.30520s) stopped
T01 >> 1462357885.09241796 Hamiltonian (14984.60630s) started
T01 >> 1462357885.09243703 vbar (9.04805s) started
T01 << 1462357885.10711408 vbar (9.06273s) stopped
T01 >> 1462357885.10718989 XC 3D grid (6485.94249s) started
T01 >> 1462357885.28332710 van der Waals (6261.01563s) started
T01 >> 1462357885.32422996 semilocal (1406.73528s) started
T01 << 1462357887.53662395 semilocal (1408.94768s) stopped
T01 >> 1462357887.56733608 redistribute (678.13433s) started
T01 << 1462357887.97543812 redistribute (678.54243s) stopped
T01 >> 1462357887.97550392 libvdwxc nonlocal (4128.36187s) started
T01 << 1462357894.65794301 libvdwxc nonlocal (4135.04431s) stopped
T01 >> 1462357894.65802407 redistribute (678.54247s) started
T01 << 1462357895.32420301 redistribute (679.20865s) stopped
T01 << 1462357895.32566810 van der Waals (6271.05797s) stopped
T01 << 1462357895.49716401 XC 3D grid (6496.33247s) stopped
T01 >> 1462357895.49721098 Poisson (1310.72226s) started
T01 << 1462357896.70600390 Poisson (1311.93106s) stopped
T01 >> 1462357896.70608997 Hartree integrate/restrict (51.41932s) started
T01 << 1462357896.72479105 Hartree integrate/restrict (51.43802s) stopped
T01 >> 1462357896.72485590 Hartree integrate/restrict (51.43807s) started
T01 << 1462357896.78698206 Hartree integrate/restrict (51.50019s) stopped
T01 >> 1462357896.80914688 Atomic (3987.49679s) started
T01 >> 1462357896.81942391 XC Correction (3979.26377s) started
T01 << 1462357903.10471010 XC Correction (3985.54906s) stopped
T01 << 1462357903.10772610 Atomic (3993.79537s) stopped
T01 >> 1462357903.10782695 Communicate (3126.54374s) started
T01 << 1462357908.23453593 Communicate (3131.67045s) stopped
T01 << 1462357908.23455811 Hamiltonian (15007.74844s) stopped
T01 >> 1462357908.23462296 LCAO eigensolver (5402.95970s) started
T01 >> 1462357908.23463511 Potential matrix (174.62299s) started
T01 << 1462357908.50564194 Potential matrix (174.89399s) stopped
T01 >> 1462357908.50570989 DistributedAtomicCorrection (899.20093s) started
T01 << 1462357909.86744404 DistributedAtomicCorrection (900.56266s) stopped
T01 >> 1462357909.86751199 Distribute overlap matrix (787.29804s) started
T01 >> 1462357909.86753297 blocked summation (746.75236s) started
T01 << 1462357911.05206490 blocked summation (747.93689s) stopped
T01 >> 1462357911.05429101 Scalapack redistribute (39.46790s) started
T01 << 1462357911.11307001 Scalapack redistribute (39.52667s) stopped
T01 << 1462357911.11317396 Distribute overlap matrix (788.54370s) stopped
T01 >> 1462357911.11380196 Blacs Orbital Layouts (1853.98346s) started
T01 >> 1462357911.11532688 General diagonalize (1816.76406s) started
T01 << 1462357913.85368896 General diagonalize (1819.50242s) stopped
T01 >> 1462357913.85375500 Redistribute coefs (2.04316s) started
T01 << 1462357913.85681796 Redistribute coefs (2.04622s) stopped
T01 >> 1462357913.85686707 Send coefs to domains (34.11090s) started
T01 << 1462357913.90953588 Send coefs to domains (34.16357s) stopped
T01 << 1462357913.90984988 Blacs Orbital Layouts (1856.77951s) stopped
T01 >> 1462357913.90990710 Calculate projections (1687.27979s) started
T01 << 1462357916.37024903 Calculate projections (1689.74013s) stopped
T01 << 1462357916.37068701 LCAO eigensolver (5411.09577s) stopped
T01 << 1462357916.37142110 SCF-cycle (21751.71211s) stopped
T01 >> 1462357917.29662108 Force calculation (1240.76894s) started
T01 >> 1462357917.29668689 LCAO forces (769.09977s) started
T01 >> 1462357917.29703903 Initial (0.00091s) started
T01 << 1462357917.29705000 Initial (0.00092s) stopped
T01 >> 1462357917.30139089 Get density matrix (150.25236s) started
T01 << 1462357917.90793204 Get density matrix (150.85891s) stopped
T01 >> 1462357917.90800810 Potential (55.22636s) started
T01 << 1462357919.34946299 Potential (56.66782s) stopped
T01 >> 1462357919.34951806 Get density matrix (150.85894s) started
T01 << 1462357922.58819389 Get density matrix (154.09762s) stopped
T01 >> 1462357922.58833098 Prepare TCI loop (75.39471s) started
T01 >> 1462357922.58882308 Get neighbors (70.34701s) started
T01 << 1462357924.42546296 Get neighbors (72.18365s) stopped
T01 >> 1462357924.42568398 broadcast dH (5.01960s) started
T01 << 1462357924.43598604 broadcast dH (5.02990s) stopped
T01 << 1462357924.43603206 Prepare TCI loop (77.24241s) stopped
T01 >> 1462357924.43604994 Not so complicated loop (108.12496s) started
T01 << 1462357927.15178609 Not so complicated loop (110.84070s) stopped
T01 >> 1462357927.27775502 Complicated loop (374.60702s) started
T01 << 1462357936.83087802 Complicated loop (384.16014s) stopped
T01 >> 1462357936.84530807 Wait for sum (0.00225s) started
T01 << 1462357936.84535289 Wait for sum (0.00229s) stopped
T01 << 1462357936.84536600 LCAO forces (788.64845s) stopped
T01 << 1462357949.30264902 Force calculation (1272.77497s) stopped
T01 >> 1462357949.32034302 Initialization (2055.50127s) started
T01 << 1462357949.32054400 Initialization (2055.50148s) stopped
T01 >> 1462357949.32080507 Initialization (2055.50149s) started
T01 << 1462357949.32094598 Initialization (2055.50163s) stopped
T01 >> 1462357949.32108808 Initialization (2055.50165s) started
T01 << 1462357949.32122302 Initialization (2055.50178s) stopped
T01 >> 1462357969.65560603 Initialization (2055.50180s) started
T01 >> 1462357969.73954391 Basic WFS set positions (3.97409s) started
T01 >> 1462357969.73956609 Redistribute (0.07958s) started
T01 << 1462357969.73970389 Redistribute (0.07971s) stopped
T01 << 1462357969.83884096 Basic WFS set positions (4.07339s) stopped
T01 >> 1462357969.83887291 Basis functions set positions (16.95150s) started
T01 << 1462357970.25117803 Basis functions set positions (17.36381s) stopped
T01 >> 1462357970.25204492 TCI: Calculate S, T, P (615.61765s) started
T01 << 1462357985.55306697 TCI: Calculate S, T, P (630.91867s) stopped
T01 >> 1462357985.55315709 blocked summation (163.97658s) started
T01 << 1462357989.54519391 blocked summation (167.96861s) stopped
T01 >> 1462357989.54700494 Scalapack redistribute (9.81496s) started
T01 << 1462357989.60447907 Scalapack redistribute (9.87243s) stopped
T01 >> 1462357989.60478306 blocked summation (167.96865s) started
T01 << 1462357989.77184892 blocked summation (168.13572s) stopped
T01 >> 1462357989.77371097 Scalapack redistribute (9.87247s) started
T01 << 1462357989.97578001 Scalapack redistribute (10.07454s) stopped
T01 >> 1462357989.97715998 Redistribute (0.08259s) started
T01 << 1462357989.97811294 Redistribute (0.08354s) stopped
T01 >> 1462357990.90375805 Redistribute (0.08356s) started
T01 << 1462357990.90468693 Redistribute (0.08449s) stopped
T01 >> 1462357990.91506195 LCAO WFS Initialize (1202.32628s) started
T01 >> 1462357990.91509199 Density initialize from wavefunctions (48.74074s) started
T01 >> 1462357990.91553593 Calculate density matrix (28.20943s) started
T01 << 1462357991.61520696 Calculate density matrix (28.90910s) stopped
T01 >> 1462357991.61526895 Construct density (6.99499s) started
T01 << 1462357991.79782796 Construct density (7.17755s) stopped
T01 >> 1462357991.79943395 Symmetrize density (0.00174s) started
T01 << 1462357991.79946589 Symmetrize density (0.00177s) stopped
T01 << 1462357992.14401793 Density initialize from wavefunctions (49.96967s) stopped
T01 >> 1462357992.14466000 Hamiltonian (1153.36693s) started
T01 >> 1462357992.14470911 vbar (0.60452s) started
T01 << 1462357992.15929890 vbar (0.61911s) stopped
T01 >> 1462357992.15937996 XC 3D grid (421.53955s) started
T01 >> 1462357992.33658910 van der Waals (406.92102s) started
T01 >> 1462357992.37781310 semilocal (90.87061s) started
T01 << 1462357994.58140612 semilocal (93.07420s) stopped
T01 >> 1462357994.61418700 redistribute (43.63550s) started
T01 << 1462357995.02042794 redistribute (44.04174s) stopped
T01 >> 1462357995.02049589 libvdwxc nonlocal (269.30479s) started
T01 << 1462358001.72706008 libvdwxc nonlocal (276.01136s) stopped
T01 >> 1462358001.72715092 redistribute (44.04178s) started
T01 << 1462358002.37509894 redistribute (44.68973s) stopped
T01 << 1462358002.37656307 van der Waals (416.96100s) stopped
T01 << 1462358002.55754709 XC 3D grid (431.93772s) stopped
T01 >> 1462358002.55759692 Poisson (193.59482s) started
T01 << 1462358007.24916291 Poisson (198.28639s) stopped
T01 >> 1462358007.24924207 Hartree integrate/restrict (3.30323s) started
T01 << 1462358007.26846290 Hartree integrate/restrict (3.32245s) stopped
T01 >> 1462358007.26853609 Hartree integrate/restrict (3.32250s) started
T01 << 1462358007.33588505 Hartree integrate/restrict (3.38985s) stopped
T01 >> 1462358007.35311103 Atomic (271.86339s) started
T01 >> 1462358007.36356997 XC Correction (271.31621s) started
T01 << 1462358014.09532404 XC Correction (278.04796s) stopped
T01 << 1462358014.09837890 Atomic (278.60866s) stopped
T01 >> 1462358014.09858990 Communicate (261.56340s) started
T01 << 1462358020.30857110 Communicate (267.77338s) stopped
T01 << 1462358020.30859399 Hamiltonian (1181.53087s) stopped
T01 << 1462358020.30865002 LCAO WFS Initialize (1231.71987s) stopped
T01 << 1462358020.32058001 Initialization (2106.16677s) stopped
T01 >> 1462358020.34556198 SCF-cycle (21751.71213s) started
T01 >> 1462358020.34560108 LCAO eigensolver (5411.09579s) started
T01 >> 1462358020.34561491 Potential matrix (174.89403s) started
T01 << 1462358020.61424804 Potential matrix (175.16266s) stopped
T01 >> 1462358020.61431789 DistributedAtomicCorrection (900.56269s) started
T01 << 1462358021.97314000 DistributedAtomicCorrection (901.92151s) stopped
T01 >> 1462358021.97320700 Distribute overlap matrix (788.54371s) started
T01 >> 1462358021.97322893 blocked summation (747.93693s) started
T01 << 1462358023.17997098 blocked summation (749.14367s) stopped
T01 >> 1462358023.18143106 Scalapack redistribute (39.52672s) started
T01 << 1462358023.24036193 Scalapack redistribute (39.58565s) stopped
T01 << 1462358023.24043798 Distribute overlap matrix (789.81094s) stopped
T01 >> 1462358023.24102497 Blacs Orbital Layouts (1856.77953s) started
T01 >> 1462358023.24269700 General diagonalize (1819.50246s) started
T01 << 1462358025.95120692 General diagonalize (1822.21097s) stopped
T01 >> 1462358025.95125794 Redistribute coefs (2.04626s) started
T01 << 1462358025.95403004 Redistribute coefs (2.04903s) stopped
T01 >> 1462358025.95407605 Send coefs to domains (34.16362s) started
T01 << 1462358026.00631499 Send coefs to domains (34.21585s) stopped
T01 << 1462358026.00667596 Blacs Orbital Layouts (1859.54518s) stopped
T01 >> 1462358026.00671005 Calculate projections (1689.74019s) started
T01 << 1462358028.46661901 Calculate projections (1692.20010s) stopped
T01 << 1462358028.46670699 LCAO eigensolver (5419.21689s) stopped
T01 >> 1462358028.46754289 Density (1332.30522s) started
T01 >> 1462358028.46755600 Pseudo density (1102.96926s) started
T01 >> 1462358028.46801209 Calculate density matrix (991.38645s) started
T01 << 1462358030.06033897 Calculate density matrix (992.97878s) stopped
T01 >> 1462358030.06040692 Construct density (110.00718s) started
T01 << 1462358030.24298811 Construct density (110.18976s) stopped
T01 >> 1462358030.24456191 Symmetrize density (0.02784s) started
T01 << 1462358030.24459600 Symmetrize density (0.02788s) stopped
T01 << 1462358030.24504995 Pseudo density (1104.74676s) stopped
T01 >> 1462358030.24506998 Atomic density matrices (152.23690s) started
T01 << 1462358030.49250007 Atomic density matrices (152.48433s) stopped
T01 >> 1462358030.49253702 Multipole moments (2.48298s) started
T01 << 1462358030.49673390 Multipole moments (2.48717s) stopped
T01 >> 1462358030.49675488 Normalize (0.68156s) started
T01 << 1462358030.49783802 Normalize (0.68264s) stopped
T01 >> 1462358030.49787307 Mix (73.89187s) started
T01 << 1462358030.60453510 Mix (73.99853s) stopped
T01 << 1462358030.60465598 Density (1334.44234s) stopped
T01 >> 1462358030.60475492 Hamiltonian (15007.74845s) started
T01 >> 1462358030.60477304 vbar (9.06277s) started
T01 << 1462358030.61967611 vbar (9.07767s) stopped
T01 >> 1462358030.61973596 XC 3D grid (6496.33250s) started
T01 >> 1462358030.79760599 van der Waals (6271.05804s) started
T01 >> 1462358030.83880591 semilocal (1408.94779s) started
T01 << 1462358033.07130289 semilocal (1411.18029s) stopped
T01 >> 1462358033.10253811 redistribute (679.20872s) started
T01 << 1462358033.47653699 redistribute (679.58272s) stopped
T01 >> 1462358033.47660494 libvdwxc nonlocal (4135.04437s) started
T01 << 1462358040.18137908 libvdwxc nonlocal (4141.74914s) stopped
T01 >> 1462358040.18146396 redistribute (679.58275s) started
T01 << 1462358040.83559489 redistribute (680.23689s) stopped
T01 << 1462358040.83691597 van der Waals (6281.09735s) stopped
T01 << 1462358041.02073908 XC 3D grid (6506.73351s) stopped
T01 >> 1462358041.02079701 Poisson (1311.93112s) started
T01 << 1462358043.38982797 Poisson (1314.30015s) stopped
T01 >> 1462358043.38994789 Hartree integrate/restrict (51.50022s) started
T01 << 1462358043.40869999 Hartree integrate/restrict (51.51898s) stopped
T01 >> 1462358043.40877295 Hartree integrate/restrict (51.51902s) started
T01 << 1462358043.47613692 Hartree integrate/restrict (51.58639s) stopped
T01 >> 1462358043.49409604 Atomic (3993.79539s) started
T01 >> 1462358043.50421000 XC Correction (3985.54908s) started
T01 << 1462358050.17553711 XC Correction (3992.22041s) stopped
T01 << 1462358050.17851210 Atomic (4000.47980s) stopped
T01 >> 1462358050.17861104 Communicate (3131.67047s) started
T01 << 1462358056.26832390 Communicate (3137.76018s) stopped
T01 << 1462358056.26834893 Hamiltonian (15033.41205s) stopped
T01 >> 1462358056.26841211 LCAO eigensolver (5419.21690s) started
T01 >> 1462358056.26842594 Potential matrix (175.16270s) started
T01 << 1462358056.53840208 Potential matrix (175.43268s) stopped
T01 >> 1462358056.53846908 DistributedAtomicCorrection (901.92154s) started
T01 << 1462358057.89174008 DistributedAtomicCorrection (903.27481s) stopped
T01 >> 1462358057.89180899 Distribute overlap matrix (789.81095s) started
T01 >> 1462358057.89183092 blocked summation (749.14371s) started
T01 << 1462358059.11535597 blocked summation (750.36724s) stopped
T01 >> 1462358059.11682892 Scalapack redistribute (39.58569s) started
T01 << 1462358059.17752099 Scalapack redistribute (39.64638s) stopped
T01 << 1462358059.17760301 Distribute overlap matrix (791.09675s) stopped
T01 >> 1462358059.17818308 Blacs Orbital Layouts (1859.54519s) started
T01 >> 1462358059.17936301 General diagonalize (1822.21101s) started
T01 << 1462358061.90717697 General diagonalize (1824.93882s) stopped
T01 >> 1462358061.90724301 Redistribute coefs (2.04906s) started
T01 << 1462358061.90998912 Redistribute coefs (2.05181s) stopped
T01 >> 1462358061.91007495 Send coefs to domains (34.21590s) started
T01 << 1462358061.96266198 Send coefs to domains (34.26849s) stopped
T01 << 1462358061.96305704 Blacs Orbital Layouts (1862.33007s) stopped
T01 >> 1462358061.96311402 Calculate projections (1692.20016s) started
T01 << 1462358064.42318892 Calculate projections (1694.66024s) stopped
T01 << 1462358064.42331004 LCAO eigensolver (5427.37180s) stopped
T01 >> 1462358064.42399096 Density (1334.44236s) started
T01 >> 1462358064.42400408 Pseudo density (1104.74677s) started
T01 >> 1462358064.42445993 Calculate density matrix (992.97882s) started
T01 << 1462358066.00881600 Calculate density matrix (994.56317s) stopped
T01 >> 1462358066.00888205 Construct density (110.18979s) started
T01 << 1462358066.19201112 Construct density (110.37292s) stopped
T01 >> 1462358066.19342709 Symmetrize density (0.02789s) started
T01 << 1462358066.19346189 Symmetrize density (0.02792s) stopped
T01 << 1462358066.19391298 Pseudo density (1106.51668s) stopped
T01 >> 1462358066.19393301 Atomic density matrices (152.48436s) started
T01 << 1462358066.44153690 Atomic density matrices (152.73196s) stopped
T01 >> 1462358066.44157410 Multipole moments (2.48719s) started
T01 << 1462358066.44575000 Multipole moments (2.49136s) stopped
T01 >> 1462358066.44577193 Normalize (0.68267s) started
T01 << 1462358066.44686103 Normalize (0.68376s) stopped
T01 >> 1462358066.44689488 Mix (73.99865s) started
T01 << 1462358066.55658388 Mix (74.10834s) stopped
T01 << 1462358066.55668211 Density (1336.57505s) stopped
T01 >> 1462358066.55677891 Hamiltonian (15033.41206s) started
T01 >> 1462358066.55679798 vbar (9.07771s) started
T01 << 1462358066.57182908 vbar (9.09274s) stopped
T01 >> 1462358066.57189298 XC 3D grid (6506.73355s) started
T01 >> 1462358066.74806499 van der Waals (6281.09739s) started
T01 >> 1462358066.78860593 semilocal (1411.18036s) started
T01 << 1462358069.03052998 semilocal (1413.42229s) stopped
T01 >> 1462358069.06310296 redistribute (680.23693s) started
T01 << 1462358069.43768191 redistribute (680.61151s) stopped
T01 >> 1462358069.43775010 libvdwxc nonlocal (4141.74920s) started
T01 << 1462358076.12439394 libvdwxc nonlocal (4148.43584s) stopped
T01 >> 1462358076.12447405 redistribute (680.61155s) started
T01 << 1462358076.78611493 redistribute (681.27319s) stopped
T01 << 1462358076.78747201 van der Waals (6291.13680s) stopped
T01 << 1462358076.96868300 XC 3D grid (6517.13034s) stopped
T01 >> 1462358076.96873403 Poisson (1314.30024s) started
T01 << 1462358078.75622106 Poisson (1316.08773s) stopped
T01 >> 1462358078.75628901 Hartree integrate/restrict (51.58642s) started
T01 << 1462358078.77540803 Hartree integrate/restrict (51.60554s) stopped
T01 >> 1462358078.77545595 Hartree integrate/restrict (51.60557s) started
T01 << 1462358078.84329391 Hartree integrate/restrict (51.67341s) stopped
T01 >> 1462358078.85964990 Atomic (4000.47982s) started
T01 >> 1462358078.86964107 XC Correction (3992.22044s) started
T01 << 1462358085.25778890 XC Correction (3998.60858s) stopped
T01 << 1462358085.26076889 Atomic (4006.88094s) stopped
T01 >> 1462358085.26086998 Communicate (3137.76020s) started
T01 << 1462358090.97522306 Communicate (3143.47455s) stopped
T01 << 1462358090.97524691 Hamiltonian (15057.83053s) stopped
T01 >> 1462358090.97531104 LCAO eigensolver (5427.37182s) started
T01 >> 1462358090.97532296 Potential matrix (175.43271s) started
T01 << 1462358091.24517393 Potential matrix (175.70256s) stopped
T01 >> 1462358091.24523902 DistributedAtomicCorrection (903.27484s) started
T01 << 1462358092.59233403 DistributedAtomicCorrection (904.62193s) stopped
T01 >> 1462358092.59240198 Distribute overlap matrix (791.09676s) started
T01 >> 1462358092.59242296 blocked summation (750.36728s) started
T01 << 1462358093.81929708 blocked summation (751.59415s) stopped
T01 >> 1462358093.82076907 Scalapack redistribute (39.64642s) started
T01 << 1462358093.88335705 Scalapack redistribute (39.70901s) stopped
T01 << 1462358093.88344312 Distribute overlap matrix (792.38780s) stopped
T01 >> 1462358093.88402104 Blacs Orbital Layouts (1862.33009s) started
T01 >> 1462358093.88531590 General diagonalize (1824.93886s) started
T01 << 1462358096.60089397 General diagonalize (1827.65444s) stopped
T01 >> 1462358096.60095906 Redistribute coefs (2.05185s) started
T01 << 1462358096.60375905 Redistribute coefs (2.05465s) stopped
T01 >> 1462358096.60384488 Send coefs to domains (34.26853s) started
T01 << 1462358096.65656304 Send coefs to domains (34.32125s) stopped
T01 << 1462358096.65695000 Blacs Orbital Layouts (1865.10302s) stopped
T01 >> 1462358096.65700889 Calculate projections (1694.66033s) started
T01 << 1462358099.11695409 Calculate projections (1697.12028s) stopped
T01 << 1462358099.11703897 LCAO eigensolver (5435.51354s) stopped
T01 >> 1462358099.11778212 Density (1336.57507s) started
T01 >> 1462358099.11779499 Pseudo density (1106.51670s) started
T01 >> 1462358099.11824012 Calculate density matrix (994.56321s) started
T01 << 1462358100.71608806 Calculate density matrix (996.16106s) stopped
T01 >> 1462358100.71617508 Construct density (110.37294s) started
T01 << 1462358100.89869499 Construct density (110.55546s) stopped
T01 >> 1462358100.90009594 Symmetrize density (0.02793s) started
T01 << 1462358100.90013003 Symmetrize density (0.02797s) stopped
T01 << 1462358100.90057492 Pseudo density (1108.29948s) stopped
T01 >> 1462358100.90059495 Atomic density matrices (152.73198s) started
T01 << 1462358101.14769411 Atomic density matrices (152.97908s) stopped
T01 >> 1462358101.14773107 Multipole moments (2.49138s) started
T01 << 1462358101.15192199 Multipole moments (2.49557s) stopped
T01 >> 1462358101.15194392 Normalize (0.68378s) started
T01 << 1462358101.15301394 Normalize (0.68485s) stopped
T01 >> 1462358101.15304899 Mix (74.10843s) started
T01 << 1462358101.26593399 Mix (74.22132s) stopped
T01 << 1462358101.26605797 Density (1338.72334s) stopped
T01 >> 1462358101.26617789 Hamiltonian (15057.83054s) started
T01 >> 1462358101.26620007 vbar (9.09277s) started
T01 << 1462358101.28081393 vbar (9.10739s) stopped
T01 >> 1462358101.28089094 XC 3D grid (6517.13038s) started
T01 >> 1462358101.45867991 van der Waals (6291.13684s) started
T01 >> 1462358101.49847102 semilocal (1413.42237s) started
T01 << 1462358103.71144390 semilocal (1415.63535s) stopped
T01 >> 1462358103.74276495 redistribute (681.27324s) started
T01 << 1462358104.14411306 redistribute (681.67459s) stopped
T01 >> 1462358104.14418006 libvdwxc nonlocal (4148.43590s) started
T01 << 1462358110.83735108 libvdwxc nonlocal (4155.12907s) stopped
T01 >> 1462358110.83742809 redistribute (681.67462s) started
T01 << 1462358111.49238491 redistribute (682.32958s) stopped
T01 << 1462358111.49377799 van der Waals (6301.17194s) stopped
T01 << 1462358111.67365408 XC 3D grid (6527.52314s) stopped
T01 >> 1462358111.67370009 Poisson (1316.08778s) started
T01 << 1462358114.04387307 Poisson (1318.45795s) stopped
T01 >> 1462358114.04396105 Hartree integrate/restrict (51.67345s) started
T01 << 1462358114.06310701 Hartree integrate/restrict (51.69259s) stopped
T01 >> 1462358114.06315708 Hartree integrate/restrict (51.69263s) started
T01 << 1462358114.13068509 Hartree integrate/restrict (51.76016s) stopped
T01 >> 1462358114.14710093 Atomic (4006.88096s) started
T01 >> 1462358114.15710092 XC Correction (3998.60861s) started
T01 << 1462358120.35572195 XC Correction (4004.80723s) stopped
T01 << 1462358120.35872507 Atomic (4013.09258s) stopped
T01 >> 1462358120.35882401 Communicate (3143.47457s) started
T01 << 1462358125.73517990 Communicate (3148.85092s) stopped
T01 << 1462358125.73520398 Hamiltonian (15082.29957s) stopped
T01 >> 1462358125.73527193 LCAO eigensolver (5435.51356s) started
T01 >> 1462358125.73528504 Potential matrix (175.70259s) started
T01 << 1462358126.00548410 Potential matrix (175.97279s) stopped
T01 >> 1462358126.00555110 DistributedAtomicCorrection (904.62196s) started
T01 << 1462358127.37182403 DistributedAtomicCorrection (905.98823s) stopped
T01 >> 1462358127.37189198 Distribute overlap matrix (792.38781s) started
T01 >> 1462358127.37191296 blocked summation (751.59419s) started
T01 << 1462358128.57628894 blocked summation (752.79857s) stopped
T01 >> 1462358128.57776594 Scalapack redistribute (39.70905s) started
T01 << 1462358128.63965511 Scalapack redistribute (39.77094s) stopped
T01 << 1462358128.63973403 Distribute overlap matrix (793.65565s) stopped
T01 >> 1462358128.64029694 Blacs Orbital Layouts (1865.10303s) started
T01 >> 1462358128.64172912 General diagonalize (1827.65448s) started
T01 << 1462358131.37029004 General diagonalize (1830.38304s) stopped
T01 >> 1462358131.37035608 Redistribute coefs (2.05468s) started
T01 << 1462358131.37317204 Redistribute coefs (2.05750s) stopped
T01 >> 1462358131.37325597 Send coefs to domains (34.32129s) started
T01 << 1462358131.42612600 Send coefs to domains (34.37416s) stopped
T01 << 1462358131.42647505 Blacs Orbital Layouts (1867.88921s) stopped
T01 >> 1462358131.42652893 Calculate projections (1697.12033s) started
T01 << 1462358133.88634706 Calculate projections (1699.58015s) stopped
T01 << 1462358133.88643289 LCAO eigensolver (5443.66472s) stopped
T01 >> 1462358133.88734198 Density (1338.72336s) started
T01 >> 1462358133.88735604 Pseudo density (1108.29949s) started
T01 >> 1462358133.88781095 Calculate density matrix (996.16110s) started
T01 << 1462358135.48827410 Calculate density matrix (997.76157s) stopped
T01 >> 1462358135.48835492 Construct density (110.55549s) started
T01 << 1462358135.67083907 Construct density (110.73798s) stopped
T01 >> 1462358135.67242503 Symmetrize density (0.02798s) started
T01 << 1462358135.67245603 Symmetrize density (0.02801s) stopped
T01 << 1462358135.67290902 Pseudo density (1110.08504s) stopped
T01 >> 1462358135.67292809 Atomic density matrices (152.97911s) started
T01 << 1462358135.92202306 Atomic density matrices (153.22820s) stopped
T01 >> 1462358135.92206001 Multipole moments (2.49558s) started
T01 << 1462358135.92621589 Multipole moments (2.49974s) stopped
T01 >> 1462358135.92623806 Normalize (0.68488s) started
T01 << 1462358135.92729998 Normalize (0.68594s) stopped
T01 >> 1462358135.92733598 Mix (74.22143s) started
T01 << 1462358136.04428291 Mix (74.33838s) stopped
T01 << 1462358136.04433608 Density (1340.88036s) stopped
T01 >> 1462358136.04443407 Hamiltonian (15082.29958s) started
T01 >> 1462358136.04445505 vbar (9.10743s) started
T01 << 1462358136.05924892 vbar (9.12222s) stopped
T01 >> 1462358136.05931902 XC 3D grid (6527.52318s) started
T01 >> 1462358136.23992491 van der Waals (6301.17199s) started
T01 >> 1462358136.28013301 semilocal (1415.63544s) started
T01 << 1462358138.48822808 semilocal (1417.84354s) stopped
T01 >> 1462358138.51985407 redistribute (682.32963s) started
T01 << 1462358138.91728806 redistribute (682.72706s) stopped
T01 >> 1462358138.91735601 libvdwxc nonlocal (4155.12912s) started
T01 << 1462358145.60204697 libvdwxc nonlocal (4161.81381s) stopped
T01 >> 1462358145.60213709 redistribute (682.72710s) started
T01 << 1462358146.26211500 redistribute (683.38708s) stopped
T01 << 1462358146.26341701 van der Waals (6311.19548s) stopped
T01 << 1462358146.44293499 XC 3D grid (6537.90679s) stopped
T01 >> 1462358146.44300389 Poisson (1318.45802s) started
T01 << 1462358148.79638600 Poisson (1320.81140s) stopped
T01 >> 1462358148.79650092 Hartree integrate/restrict (51.76021s) started
T01 << 1462358148.81544089 Hartree integrate/restrict (51.77915s) stopped
T01 >> 1462358148.81554008 Hartree integrate/restrict (51.77922s) started
T01 << 1462358148.87781906 Hartree integrate/restrict (51.84150s) stopped
T01 >> 1462358148.90110397 Atomic (4013.09260s) started
T01 >> 1462358148.91115999 XC Correction (4004.80725s) started
T01 << 1462358155.15931106 XC Correction (4011.05540s) stopped
T01 << 1462358155.16228390 Atomic (4019.35378s) stopped
T01 >> 1462358155.16238403 Communicate (3148.85094s) started
T01 << 1462358159.99627995 Communicate (3153.68483s) stopped
T01 << 1462358159.99630404 Hamiltonian (15106.25145s) stopped
T01 >> 1462358159.99637008 LCAO eigensolver (5443.66473s) started
T01 >> 1462358159.99638295 Potential matrix (175.97282s) started
T01 << 1462358160.26491594 Potential matrix (176.24136s) stopped
T01 >> 1462358160.26498103 DistributedAtomicCorrection (905.98826s) started
T01 << 1462358161.61375690 DistributedAtomicCorrection (907.33704s) stopped
T01 >> 1462358161.61382294 Distribute overlap matrix (793.65566s) started
T01 >> 1462358161.61384511 blocked summation (752.79861s) started
T01 << 1462358162.83083797 blocked summation (754.01560s) stopped
T01 >> 1462358162.83217692 Scalapack redistribute (39.77097s) started
T01 << 1462358162.89449406 Scalapack redistribute (39.83329s) stopped
T01 << 1462358162.89457297 Distribute overlap matrix (794.93641s) stopped
T01 >> 1462358162.89516711 Blacs Orbital Layouts (1867.88923s) started
T01 >> 1462358162.89730191 General diagonalize (1830.38308s) started
T01 << 1462358165.60505295 General diagonalize (1833.09083s) stopped
T01 >> 1462358165.60510111 Redistribute coefs (2.05754s) started
T01 << 1462358165.60788012 Redistribute coefs (2.06031s) stopped
T01 >> 1462358165.60792708 Send coefs to domains (34.37421s) started
T01 << 1462358165.66077304 Send coefs to domains (34.42705s) stopped
T01 << 1462358165.66129804 Blacs Orbital Layouts (1870.65536s) stopped
T01 >> 1462358165.66135693 Calculate projections (1699.58021s) started
T01 << 1462358168.12127995 Calculate projections (1702.04013s) stopped
T01 << 1462358168.12155509 LCAO eigensolver (5451.78991s) stopped
T01 >> 1462358168.12227988 Density (1340.88037s) started
T01 >> 1462358168.12229300 Pseudo density (1110.08506s) started
T01 >> 1462358168.12275100 Calculate density matrix (997.76161s) started
T01 << 1462358169.71974611 Calculate density matrix (999.35860s) stopped
T01 >> 1462358169.71983194 Construct density (110.73800s) started
T01 << 1462358169.90289497 Construct density (110.92107s) stopped
T01 >> 1462358169.90431094 Symmetrize density (0.02802s) started
T01 << 1462358169.90434408 Symmetrize density (0.02805s) stopped
T01 << 1462358169.90479708 Pseudo density (1111.86756s) stopped
T01 >> 1462358169.90481710 Atomic density matrices (153.22823s) started
T01 << 1462358170.15228796 Atomic density matrices (153.47570s) stopped
T01 >> 1462358170.15232396 Multipole moments (2.49975s) started
T01 << 1462358170.15647888 Multipole moments (2.50391s) stopped
T01 >> 1462358170.15650105 Normalize (0.68596s) started
T01 << 1462358170.15757298 Normalize (0.68704s) stopped
T01 >> 1462358170.15760994 Mix (74.33843s) started
T01 << 1462358170.27757406 Mix (74.45839s) stopped
T01 << 1462358170.27766705 Density (1343.03576s) stopped
T01 >> 1462358170.27775908 Hamiltonian (15106.25146s) started
T01 >> 1462358170.27777791 vbar (9.12226s) started
T01 << 1462358170.29259205 vbar (9.13708s) stopped
T01 >> 1462358170.29267812 XC 3D grid (6537.90685s) started
T01 >> 1462358170.47458792 van der Waals (6311.19552s) started
T01 >> 1462358170.51470590 semilocal (1417.84369s) started
T01 << 1462358172.73844695 semilocal (1420.06743s) stopped
T01 >> 1462358172.76872206 redistribute (683.38712s) started
T01 << 1462358173.14596009 redistribute (683.76436s) stopped
T01 >> 1462358173.14602804 libvdwxc nonlocal (4161.81387s) started
T01 << 1462358179.81826305 libvdwxc nonlocal (4168.48611s) stopped
T01 >> 1462358179.81832194 redistribute (683.76440s) started
T01 << 1462358180.48501706 redistribute (684.43109s) stopped
T01 << 1462358180.48677206 van der Waals (6321.20770s) stopped
T01 << 1462358180.66710806 XC 3D grid (6548.28128s) stopped
T01 >> 1462358180.66715789 Poisson (1320.81149s) started
T01 << 1462358183.01324391 Poisson (1323.15758s) stopped
T01 >> 1462358183.01331091 Hartree integrate/restrict (51.84153s) started
T01 << 1462358183.03217912 Hartree integrate/restrict (51.86040s) stopped
T01 >> 1462358183.03225994 Hartree integrate/restrict (51.86046s) started
T01 << 1462358183.09489799 Hartree integrate/restrict (51.92309s) stopped
T01 >> 1462358183.11666107 Atomic (4019.35380s) started
T01 >> 1462358183.12674403 XC Correction (4011.05543s) started
T01 << 1462358189.36095810 XC Correction (4017.28964s) stopped
T01 << 1462358189.36396003 Atomic (4025.60109s) stopped
T01 >> 1462358189.36405897 Communicate (3153.68485s) started
T01 << 1462358194.21372104 Communicate (3158.53451s) stopped
T01 << 1462358194.21374512 Hamiltonian (15130.18745s) stopped
T01 >> 1462358194.21380806 LCAO eigensolver (5451.78993s) started
T01 >> 1462358194.21381998 Potential matrix (176.24139s) started
T01 << 1462358194.48283100 Potential matrix (176.51040s) stopped
T01 >> 1462358194.48289800 DistributedAtomicCorrection (907.33706s) started
T01 << 1462358195.84794998 DistributedAtomicCorrection (908.70212s) stopped
T01 >> 1462358195.84801793 Distribute overlap matrix (794.93643s) started
T01 >> 1462358195.84803891 blocked summation (754.01564s) started
T01 << 1462358197.03637099 blocked summation (755.20397s) stopped
T01 >> 1462358197.03804994 Scalapack redistribute (39.83333s) started
T01 << 1462358197.10104990 Scalapack redistribute (39.89633s) stopped
T01 << 1462358197.10113192 Distribute overlap matrix (796.18954s) stopped
T01 >> 1462358197.10171890 Blacs Orbital Layouts (1870.65538s) started
T01 >> 1462358197.10308409 General diagonalize (1833.09087s) started
T01 << 1462358199.78482509 General diagonalize (1835.77261s) stopped
T01 >> 1462358199.78489208 Redistribute coefs (2.06035s) started
T01 << 1462358199.78872991 Redistribute coefs (2.06419s) stopped
T01 >> 1462358199.78877592 Send coefs to domains (34.42710s) started
T01 << 1462358199.84066510 Send coefs to domains (34.47899s) stopped
T01 << 1462358199.84103703 Blacs Orbital Layouts (1873.39470s) stopped
T01 >> 1462358199.84108996 Calculate projections (1702.04019s) started
T01 << 1462358202.30095005 Calculate projections (1704.50005s) stopped
T01 << 1462358202.30122900 LCAO eigensolver (5459.87735s) stopped
T01 >> 1462358202.30197096 Density (1343.03578s) started
T01 >> 1462358202.30198407 Pseudo density (1111.86758s) started
T01 >> 1462358202.30242491 Calculate density matrix (999.35864s) started
T01 << 1462358203.89913988 Calculate density matrix (1000.95536s) stopped
T01 >> 1462358203.89923096 Construct density (110.92109s) started
T01 << 1462358204.08172798 Construct density (111.10359s) stopped
T01 >> 1462358204.08405304 Symmetrize density (0.02806s) started
T01 << 1462358204.08408689 Symmetrize density (0.02810s) stopped
T01 << 1462358204.08453012 Pseudo density (1113.65012s) stopped
T01 >> 1462358204.08454990 Atomic density matrices (153.47572s) started
T01 << 1462358204.33101606 Atomic density matrices (153.72219s) stopped
T01 >> 1462358204.33105206 Multipole moments (2.50392s) started
T01 << 1462358204.33520889 Multipole moments (2.50808s) stopped
T01 >> 1462358204.33523107 Normalize (0.68706s) started
T01 << 1462358204.33631802 Normalize (0.68815s) stopped
T01 >> 1462358204.33635306 Mix (74.45848s) started
T01 << 1462358204.45662498 Mix (74.57876s) stopped
T01 << 1462358204.45673800 Density (1345.19054s) stopped
T01 >> 1462358204.45684695 Hamiltonian (15130.18746s) started
T01 >> 1462358204.45686793 vbar (9.13713s) started
T01 << 1462358204.47193193 vbar (9.15219s) stopped
T01 >> 1462358204.47200203 XC 3D grid (6548.28132s) started
T01 >> 1462358204.65047693 van der Waals (6321.20781s) started
T01 >> 1462358204.69142199 semilocal (1420.06755s) started
T01 << 1462358206.90907311 semilocal (1422.28520s) stopped
T01 >> 1462358206.93962502 redistribute (684.43117s) started
T01 << 1462358207.32977891 redistribute (684.82133s) stopped
T01 >> 1462358207.32984710 libvdwxc nonlocal (4168.48614s) started
T01 << 1462358214.03136992 libvdwxc nonlocal (4175.18767s) stopped
T01 >> 1462358214.03143001 redistribute (684.82136s) started
T01 << 1462358214.69871593 redistribute (685.48865s) stopped
T01 << 1462358214.70068908 van der Waals (6331.25802s) stopped
T01 << 1462358214.87561297 XC 3D grid (6558.68493s) stopped
T01 >> 1462358214.87566590 Poisson (1323.15763s) started
T01 << 1462358217.22968888 Poisson (1325.51165s) stopped
T01 >> 1462358217.22975707 Hartree integrate/restrict (51.92313s) started
T01 << 1462358217.24876595 Hartree integrate/restrict (51.94214s) stopped
T01 >> 1462358217.24882102 Hartree integrate/restrict (51.94217s) started
T01 << 1462358217.31642509 Hartree integrate/restrict (52.00978s) stopped
T01 >> 1462358217.33407593 Atomic (4025.60111s) started
T01 >> 1462358217.34419203 XC Correction (4017.28967s) started
T01 << 1462358223.63189793 XC Correction (4023.57737s) stopped
T01 << 1462358223.63491011 Atomic (4031.90195s) stopped
T01 >> 1462358223.63500905 Communicate (3158.53453s) started
T01 << 1462358228.45057797 Communicate (3163.35010s) stopped
T01 << 1462358228.45060205 Hamiltonian (15154.18122s) stopped
T01 >> 1462358228.45066810 LCAO eigensolver (5459.87737s) started
T01 >> 1462358228.45068192 Potential matrix (176.51043s) started
T01 << 1462358228.72041512 Potential matrix (176.78017s) stopped
T01 >> 1462358228.72048211 DistributedAtomicCorrection (908.70214s) started
T01 << 1462358230.10047889 DistributedAtomicCorrection (910.08214s) stopped
T01 >> 1462358230.10054708 Distribute overlap matrix (796.18955s) started
T01 >> 1462358230.10056806 blocked summation (755.20401s) started
T01 << 1462358231.26977301 blocked summation (756.37321s) stopped
T01 >> 1462358231.27150798 Scalapack redistribute (39.89637s) started
T01 << 1462358231.33261895 Scalapack redistribute (39.95748s) stopped
T01 << 1462358231.33270311 Distribute overlap matrix (797.42171s) stopped
T01 >> 1462358231.33333993 Blacs Orbital Layouts (1873.39472s) started
T01 >> 1462358231.33486199 General diagonalize (1835.77265s) started
T01 << 1462358234.03921795 General diagonalize (1838.47701s) stopped
T01 >> 1462358234.03928304 Redistribute coefs (2.06422s) started
T01 << 1462358234.04299498 Redistribute coefs (2.06794s) stopped
T01 >> 1462358234.04304504 Send coefs to domains (34.47903s) started
T01 << 1462358234.09481907 Send coefs to domains (34.53080s) stopped
T01 << 1462358234.09517598 Blacs Orbital Layouts (1876.15655s) stopped
T01 >> 1462358234.09522700 Calculate projections (1704.50010s) started
T01 << 1462358236.55527210 Calculate projections (1706.96015s) stopped
T01 << 1462358236.55555296 LCAO eigensolver (5467.98226s) stopped
T01 >> 1462358236.55627608 Density (1345.19056s) started
T01 >> 1462358236.55628896 Pseudo density (1113.65014s) started
T01 >> 1462358236.55675006 Calculate density matrix (1000.95540s) started
T01 << 1462358238.15018106 Calculate density matrix (1002.54884s) stopped
T01 >> 1462358238.15027094 Construct density (111.10362s) started
T01 << 1462358238.33301401 Construct density (111.28636s) stopped
T01 >> 1462358238.33533406 Symmetrize density (0.02811s) started
T01 << 1462358238.33536696 Symmetrize density (0.02814s) stopped
T01 << 1462358238.33581591 Pseudo density (1115.42966s) stopped
T01 >> 1462358238.33583498 Atomic density matrices (153.72221s) started
T01 << 1462358238.58367610 Atomic density matrices (153.97005s) stopped
T01 >> 1462358238.58371305 Multipole moments (2.50810s) started
T01 << 1462358238.58787489 Multipole moments (2.51226s) stopped
T01 >> 1462358238.58789706 Normalize (0.68818s) started
T01 << 1462358238.58898091 Normalize (0.68926s) stopped
T01 >> 1462358238.58901691 Mix (74.57886s) started
T01 << 1462358238.70858002 Mix (74.69843s) stopped
T01 << 1462358238.70865107 Density (1347.34294s) stopped
T01 >> 1462358238.70874000 Hamiltonian (15154.18123s) started
T01 >> 1462358238.70876002 vbar (9.15223s) started
T01 << 1462358238.72457099 vbar (9.16804s) stopped
T01 >> 1462358238.72463489 XC 3D grid (6558.68497s) started
T01 >> 1462358238.90977812 van der Waals (6331.25811s) started
T01 >> 1462358238.94999003 semilocal (1422.28527s) started
T01 << 1462358241.17392302 semilocal (1424.50920s) stopped
T01 >> 1462358241.20482302 redistribute (685.48878s) started
T01 << 1462358241.60117507 redistribute (685.88513s) stopped
T01 >> 1462358241.60124207 libvdwxc nonlocal (4175.18770s) started
T01 << 1462358248.28998399 libvdwxc nonlocal (4181.87644s) stopped
T01 >> 1462358248.29006290 redistribute (685.88517s) started
T01 << 1462358248.96173000 redistribute (686.55684s) stopped
T01 << 1462358248.96307611 van der Waals (6341.31141s) stopped
T01 << 1462358249.14119005 XC 3D grid (6569.10152s) stopped
T01 >> 1462358249.14123893 Poisson (1325.51170s) started
T01 << 1462358251.49739695 Poisson (1327.86786s) stopped
T01 >> 1462358251.49746490 Hartree integrate/restrict (52.00982s) started
T01 << 1462358251.51620197 Hartree integrate/restrict (52.02856s) stopped
T01 >> 1462358251.51625204 Hartree integrate/restrict (52.02859s) started
T01 << 1462358251.57776594 Hartree integrate/restrict (52.09011s) stopped
T01 >> 1462358251.60224009 Atomic (4031.90196s) started
T01 >> 1462358251.61240196 XC Correction (4023.57740s) started
T01 << 1462358257.90429306 XC Correction (4029.86929s) stopped
T01 << 1462358257.90729499 Atomic (4038.20702s) stopped
T01 >> 1462358257.90739298 Communicate (3163.35011s) started
T01 << 1462358262.64058399 Communicate (3168.08330s) stopped
T01 << 1462358262.64060712 Hamiltonian (15178.11310s) stopped
T01 >> 1462358262.64067507 LCAO eigensolver (5467.98227s) started
T01 >> 1462358262.64068794 Potential matrix (176.78020s) started
T01 << 1462358262.91013789 Potential matrix (177.04965s) stopped
T01 >> 1462358262.91020489 DistributedAtomicCorrection (910.08217s) started
T01 << 1462358264.28001308 DistributedAtomicCorrection (911.45198s) stopped
T01 >> 1462358264.28008008 Distribute overlap matrix (797.42172s) started
T01 >> 1462358264.28010106 blocked summation (756.37325s) started
T01 << 1462358265.47656107 blocked summation (757.56971s) stopped
T01 >> 1462358265.47823811 Scalapack redistribute (39.95751s) started
T01 << 1462358265.53674507 Scalapack redistribute (40.01602s) stopped
T01 << 1462358265.53682804 Distribute overlap matrix (798.67847s) stopped
T01 >> 1462358265.53744197 Blacs Orbital Layouts (1876.15657s) started
T01 >> 1462358265.53894496 General diagonalize (1838.47704s) started
T01 << 1462358268.23778510 General diagonalize (1841.17588s) stopped
T01 >> 1462358268.23784900 Redistribute coefs (2.06798s) started
T01 << 1462358268.24155498 Redistribute coefs (2.07168s) stopped
T01 >> 1462358268.24160409 Send coefs to domains (34.53085s) started
T01 << 1462358268.29365110 Send coefs to domains (34.58290s) stopped
T01 << 1462358268.29399395 Blacs Orbital Layouts (1878.91312s) stopped
T01 >> 1462358268.29405093 Calculate projections (1706.96021s) started
T01 << 1462358270.75407910 Calculate projections (1709.42023s) stopped
T01 << 1462358270.75435805 LCAO eigensolver (5476.09596s) stopped
T01 >> 1462358270.75508308 Density (1347.34296s) started
T01 >> 1462358270.75509691 Pseudo density (1115.42968s) started
T01 >> 1462358270.75554204 Calculate density matrix (1002.54888s) started
T01 << 1462358272.34548306 Calculate density matrix (1004.13882s) stopped
T01 >> 1462358272.34557104 Construct density (111.28639s) started
T01 << 1462358272.52748990 Construct density (111.46831s) stopped
T01 >> 1462358272.52889490 Symmetrize density (0.02815s) started
T01 << 1462358272.52892804 Symmetrize density (0.02819s) stopped
T01 << 1462358272.52937198 Pseudo density (1117.20395s) stopped
T01 >> 1462358272.52939200 Atomic density matrices (153.97008s) started
T01 << 1462358272.78050494 Atomic density matrices (154.22119s) stopped
T01 >> 1462358272.78054309 Multipole moments (2.51227s) started
T01 << 1462358272.78471899 Multipole moments (2.51645s) stopped
T01 >> 1462358272.78473997 Normalize (0.68928s) started
T01 << 1462358272.78582311 Normalize (0.69037s) stopped
T01 >> 1462358272.78585792 Mix (74.69850s) started
T01 << 1462358272.90720892 Mix (74.81985s) stopped
T01 << 1462358272.90731597 Density (1349.49519s) stopped
T01 >> 1462358272.90741396 Hamiltonian (15178.11311s) started
T01 >> 1462358272.90743494 vbar (9.16808s) started
T01 << 1462358272.92173600 vbar (9.18238s) stopped
T01 >> 1462358272.92181492 XC 3D grid (6569.10156s) started
T01 >> 1462358273.10055995 van der Waals (6341.31146s) started
T01 >> 1462358273.14231205 semilocal (1424.50930s) started
T01 << 1462358275.37314010 semilocal (1426.74013s) stopped
T01 >> 1462358275.40353107 redistribute (686.55688s) started
T01 << 1462358275.77457690 redistribute (686.92792s) stopped
T01 >> 1462358275.77464604 libvdwxc nonlocal (4181.87650s) started
T01 << 1462358282.45046091 libvdwxc nonlocal (4188.55231s) stopped
T01 >> 1462358282.45054197 redistribute (686.92796s) started
T01 << 1462358283.12190294 redistribute (687.59932s) stopped
T01 << 1462358283.12332797 van der Waals (6351.33423s) stopped
T01 << 1462358283.30569506 XC 3D grid (6579.48544s) stopped
T01 >> 1462358283.30575395 Poisson (1327.86791s) started
T01 << 1462358285.08277392 Poisson (1329.64493s) stopped
T01 >> 1462358285.08288693 Hartree integrate/restrict (52.09014s) started
T01 << 1462358285.10186601 Hartree integrate/restrict (52.10912s) stopped
T01 >> 1462358285.10195088 Hartree integrate/restrict (52.10918s) started
T01 << 1462358285.16896009 Hartree integrate/restrict (52.17619s) stopped
T01 >> 1462358285.18791103 Atomic (4038.20703s) started
T01 >> 1462358285.19800997 XC Correction (4029.86931s) started
T01 << 1462358291.55829906 XC Correction (4036.22960s) stopped
T01 << 1462358291.56129193 Atomic (4044.58042s) stopped
T01 >> 1462358291.56139398 Communicate (3168.08332s) started
T01 << 1462358296.54668593 Communicate (3173.06861s) stopped
T01 << 1462358296.54670906 Hamiltonian (15201.75240s) stopped
T01 >> 1462358296.54677510 LCAO eigensolver (5476.09598s) started
T01 >> 1462358296.54678798 Potential matrix (177.04969s) started
T01 << 1462358296.81497693 Potential matrix (177.31787s) stopped
T01 >> 1462358296.81504393 DistributedAtomicCorrection (911.45200s) started
T01 << 1462358298.17575002 DistributedAtomicCorrection (912.81271s) stopped
T01 >> 1462358298.17581701 Distribute overlap matrix (798.67848s) started
T01 >> 1462358298.17583799 blocked summation (757.56975s) started
T01 << 1462358299.32120609 blocked summation (758.71512s) stopped
T01 >> 1462358299.32288694 Scalapack redistribute (40.01606s) started
T01 << 1462358299.38153791 Scalapack redistribute (40.07471s) stopped
T01 << 1462358299.38161802 Distribute overlap matrix (799.88428s) stopped
T01 >> 1462358299.38224697 Blacs Orbital Layouts (1878.91314s) started
T01 >> 1462358299.38378000 General diagonalize (1841.17592s) started
T01 << 1462358302.07601905 General diagonalize (1843.86816s) stopped
T01 >> 1462358302.07608294 Redistribute coefs (2.07172s) started
T01 << 1462358302.07859612 Redistribute coefs (2.07423s) stopped
T01 >> 1462358302.07869101 Send coefs to domains (34.58294s) started
T01 << 1462358302.13130903 Send coefs to domains (34.63556s) stopped
T01 << 1462358302.13168311 Blacs Orbital Layouts (1881.66258s) stopped
T01 >> 1462358302.13173509 Calculate projections (1709.42029s) started
T01 << 1462358304.59173298 Calculate projections (1711.88029s) stopped
T01 << 1462358304.59201002 LCAO eigensolver (5484.14121s) stopped
T01 >> 1462358304.59274697 Density (1349.49521s) started
T01 >> 1462358304.59276009 Pseudo density (1117.20397s) started
T01 >> 1462358304.59320402 Calculate density matrix (1004.13886s) started
T01 << 1462358306.18884110 Calculate density matrix (1005.73450s) stopped
T01 >> 1462358306.18893099 Construct density (111.46833s) started
T01 << 1462358306.37103701 Construct density (111.65044s) stopped
T01 >> 1462358306.37242794 Symmetrize density (0.02820s) started
T01 << 1462358306.37246108 Symmetrize density (0.02823s) stopped
T01 << 1462358306.37291098 Pseudo density (1118.98412s) stopped
T01 >> 1462358306.37293100 Atomic density matrices (154.22122s) started
T01 << 1462358306.62176609 Atomic density matrices (154.47005s) stopped
T01 >> 1462358306.62180305 Multipole moments (2.51646s) started
T01 << 1462358306.62601399 Multipole moments (2.52067s) stopped
T01 >> 1462358306.62603498 Normalize (0.69039s) started
T01 << 1462358306.62709808 Normalize (0.69145s) stopped
T01 >> 1462358306.62713194 Mix (74.81995s) started
T01 << 1462358306.74789810 Mix (74.94072s) stopped
T01 << 1462358306.74795198 Density (1351.65041s) stopped
T01 >> 1462358306.74804091 Hamiltonian (15201.75242s) started
T01 >> 1462358306.74806094 vbar (9.18242s) started
T01 << 1462358306.76300502 vbar (9.19737s) stopped
T01 >> 1462358306.76307797 XC 3D grid (6579.48548s) started
T01 >> 1462358306.94533396 van der Waals (6351.33426s) started
T01 >> 1462358306.98543000 semilocal (1426.74018s) started
T01 << 1462358309.21224809 semilocal (1428.96700s) stopped
T01 >> 1462358309.24343705 redistribute (687.59937s) started
T01 << 1462358309.62211490 redistribute (687.97804s) stopped
T01 >> 1462358309.62218308 libvdwxc nonlocal (4188.55237s) started
T01 << 1462358316.31760502 libvdwxc nonlocal (4195.24779s) stopped
T01 >> 1462358316.31770706 redistribute (687.97808s) started
T01 << 1462358316.97088599 redistribute (688.63126s) stopped
T01 << 1462358316.97228789 van der Waals (6361.36122s) stopped
T01 << 1462358317.15496707 XC 3D grid (6589.87737s) stopped
T01 >> 1462358317.15501308 Poisson (1329.64501s) started
T01 << 1462358318.93683505 Poisson (1331.42684s) stopped
T01 >> 1462358318.93691707 Hartree integrate/restrict (52.17623s) started
T01 << 1462358318.95595503 Hartree integrate/restrict (52.19527s) stopped
T01 >> 1462358318.95604396 Hartree integrate/restrict (52.19533s) started
T01 << 1462358319.01673889 Hartree integrate/restrict (52.25602s) stopped
T01 >> 1462358319.04112792 Atomic (4044.58043s) started
T01 >> 1462358319.05125403 XC Correction (4036.22962s) started
T01 << 1462358325.31163096 XC Correction (4042.49000s) stopped
T01 << 1462358325.31463599 Atomic (4050.85394s) stopped
T01 >> 1462358325.31473899 Communicate (3173.06863s) started
T01 << 1462358330.36319304 Communicate (3178.11708s) stopped
T01 << 1462358330.36321592 Hamiltonian (15225.36759s) stopped
T01 >> 1462358330.36328197 LCAO eigensolver (5484.14123s) started
T01 >> 1462358330.36329508 Potential matrix (177.31791s) started
T01 << 1462358330.63128805 Potential matrix (177.58590s) stopped
T01 >> 1462358330.63135409 DistributedAtomicCorrection (912.81274s) started
T01 << 1462358331.99203992 DistributedAtomicCorrection (914.17342s) stopped
T01 >> 1462358331.99210906 Distribute overlap matrix (799.88429s) started
T01 >> 1462358331.99213004 blocked summation (758.71516s) started
T01 << 1462358333.13075805 blocked summation (759.85378s) stopped
T01 >> 1462358333.13249397 Scalapack redistribute (40.07474s) started
T01 << 1462358333.19335103 Scalapack redistribute (40.13560s) stopped
T01 << 1462358333.19343209 Distribute overlap matrix (801.08562s) stopped
T01 >> 1462358333.19406796 Blacs Orbital Layouts (1881.66259s) started
T01 >> 1462358333.19556189 General diagonalize (1843.86820s) started
T01 << 1462358335.89920497 General diagonalize (1846.57184s) stopped
T01 >> 1462358335.89927006 Redistribute coefs (2.07427s) started
T01 << 1462358335.90191507 Redistribute coefs (2.07692s) stopped
T01 >> 1462358335.90196609 Send coefs to domains (34.63560s) started
T01 << 1462358335.95456409 Send coefs to domains (34.68820s) stopped
T01 << 1462358335.95491409 Blacs Orbital Layouts (1884.42344s) stopped
T01 >> 1462358335.95496607 Calculate projections (1711.88035s) started
T01 << 1462358338.41488791 Calculate projections (1714.34027s) stopped
T01 << 1462358338.41516304 LCAO eigensolver (5492.19311s) stopped
T01 >> 1462358338.41590190 Density (1351.65043s) started
T01 >> 1462358338.41591501 Pseudo density (1118.98413s) started
T01 >> 1462358338.41635895 Calculate density matrix (1005.73455s) started
T01 << 1462358340.00228310 Calculate density matrix (1007.32047s) stopped
T01 >> 1462358340.00237298 Construct density (111.65047s) started
T01 << 1462358340.18515611 Construct density (111.83325s) stopped
T01 >> 1462358340.18658805 Symmetrize density (0.02824s) started
T01 << 1462358340.18662095 Symmetrize density (0.02827s) stopped
T01 << 1462358340.18706799 Pseudo density (1120.75529s) stopped
T01 >> 1462358340.18708801 Atomic density matrices (154.47008s) started
T01 << 1462358340.43477607 Atomic density matrices (154.71776s) stopped
T01 >> 1462358340.43481302 Multipole moments (2.52069s) started
T01 << 1462358340.43902993 Multipole moments (2.52490s) stopped
T01 >> 1462358340.43905210 Normalize (0.69148s) started
T01 << 1462358340.44012308 Normalize (0.69255s) stopped
T01 >> 1462358340.44015789 Mix (74.94077s) started
T01 << 1462358340.56076598 Mix (75.06138s) stopped
T01 << 1462358340.56084490 Density (1353.79537s) stopped
T01 >> 1462358340.56094694 Hamiltonian (15225.36760s) started
T01 >> 1462358340.56096697 vbar (9.19741s) started
T01 << 1462358340.57569599 vbar (9.21214s) stopped
T01 >> 1462358340.57576394 XC 3D grid (6589.87741s) started
T01 >> 1462358340.75332499 van der Waals (6361.36126s) started
T01 >> 1462358340.79456592 semilocal (1428.96713s) started
T01 << 1462358342.99638605 semilocal (1431.16895s) stopped
T01 >> 1462358343.02741408 redistribute (688.63133s) started
T01 << 1462358343.43250895 redistribute (689.03643s) stopped
T01 >> 1462358343.43257809 libvdwxc nonlocal (4195.24787s) started
T01 << 1462358350.13627005 libvdwxc nonlocal (4201.95156s) stopped
T01 >> 1462358350.13635492 redistribute (689.03647s) started
T01 << 1462358350.79085112 redistribute (689.69096s) stopped
T01 << 1462358350.79207897 van der Waals (6371.40002s) stopped
T01 << 1462358350.97590494 XC 3D grid (6600.27755s) stopped
T01 >> 1462358350.97595406 Poisson (1331.42690s) started
T01 << 1462358352.75675988 Poisson (1333.20771s) stopped
T01 >> 1462358352.75684500 Hartree integrate/restrict (52.25606s) started
T01 << 1462358352.77562094 Hartree integrate/restrict (52.27483s) stopped
T01 >> 1462358352.77567410 Hartree integrate/restrict (52.27487s) started
T01 << 1462358352.84303904 Hartree integrate/restrict (52.34223s) stopped
T01 >> 1462358352.86137891 Atomic (4050.85396s) started
T01 >> 1462358352.87155604 XC Correction (4042.49002s) started
T01 << 1462358359.14583898 XC Correction (4048.76431s) stopped
T01 << 1462358359.14885211 Atomic (4057.14143s) stopped
T01 >> 1462358359.14895296 Communicate (3178.11710s) started
T01 << 1462358363.92742991 Communicate (3182.89558s) stopped
T01 << 1462358363.92745304 Hamiltonian (15248.73411s) stopped
T01 >> 1462358363.92751908 LCAO eigensolver (5492.19313s) started
T01 >> 1462358363.92753100 Potential matrix (177.58593s) started
T01 << 1462358364.19546604 Potential matrix (177.85387s) stopped
T01 >> 1462358364.19553399 DistributedAtomicCorrection (914.17345s) started
T01 << 1462358365.55967402 DistributedAtomicCorrection (915.53759s) stopped
T01 >> 1462358365.55974197 Distribute overlap matrix (801.08563s) started
T01 >> 1462358365.55976295 blocked summation (759.85382s) started
T01 << 1462358366.69829202 blocked summation (760.99235s) stopped
T01 >> 1462358366.69994998 Scalapack redistribute (40.13563s) started
T01 << 1462358366.75922394 Scalapack redistribute (40.19491s) stopped
T01 << 1462358366.75930095 Distribute overlap matrix (802.28519s) stopped
T01 >> 1462358366.75991893 Blacs Orbital Layouts (1884.42346s) started
T01 >> 1462358366.76140189 General diagonalize (1846.57188s) started
T01 << 1462358369.46983695 General diagonalize (1849.28032s) stopped
T01 >> 1462358369.46990204 Redistribute coefs (2.07695s) started
T01 << 1462358369.47256398 Redistribute coefs (2.07962s) stopped
T01 >> 1462358369.47265792 Send coefs to domains (34.68824s) started
T01 << 1462358369.52538204 Send coefs to domains (34.74097s) stopped
T01 << 1462358369.52573109 Blacs Orbital Layouts (1887.18927s) stopped
T01 >> 1462358369.52578902 Calculate projections (1714.34033s) started
T01 << 1462358371.98564410 Calculate projections (1716.80018s) stopped
T01 << 1462358371.98592305 LCAO eigensolver (5500.25153s) stopped
T01 >> 1462358371.98663497 Density (1353.79539s) started
T01 >> 1462358371.98665309 Pseudo density (1120.75530s) started
T01 >> 1462358371.98709607 Calculate density matrix (1007.32052s) started
T01 << 1462358373.58580494 Calculate density matrix (1008.91922s) stopped
T01 >> 1462358373.58589506 Construct density (111.83328s) started
T01 << 1462358373.76781011 Construct density (112.01519s) stopped
T01 >> 1462358373.76922107 Symmetrize density (0.02828s) started
T01 << 1462358373.76925302 Symmetrize density (0.02832s) stopped
T01 << 1462358373.76970911 Pseudo density (1122.53836s) stopped
T01 >> 1462358373.76972795 Atomic density matrices (154.71779s) started
T01 << 1462358374.01910710 Atomic density matrices (154.96717s) stopped
T01 >> 1462358374.01914310 Multipole moments (2.52492s) started
T01 << 1462358374.02335906 Multipole moments (2.52913s) stopped
T01 >> 1462358374.02338099 Normalize (0.69257s) started
T01 << 1462358374.02444696 Normalize (0.69364s) stopped
T01 >> 1462358374.02448201 Mix (75.06145s) started
T01 << 1462358374.14502406 Mix (75.18199s) stopped
T01 << 1462358374.14508295 Density (1355.95384s) stopped
T01 >> 1462358374.14517307 Hamiltonian (15248.73412s) started
T01 >> 1462358374.14519191 vbar (9.21218s) started
T01 << 1462358374.15964699 vbar (9.22663s) stopped
T01 >> 1462358374.15974808 XC 3D grid (6600.27758s) started
T01 >> 1462358374.34222507 van der Waals (6371.40006s) started
T01 >> 1462358374.38258195 semilocal (1431.16907s) started
T01 << 1462358376.61256599 semilocal (1433.39905s) stopped
T01 >> 1462358376.64226794 redistribute (689.69101s) started
T01 << 1462358377.02012992 redistribute (690.06887s) stopped
T01 >> 1462358377.02019691 libvdwxc nonlocal (4201.95162s) started
T01 << 1462358383.70757294 libvdwxc nonlocal (4208.63900s) stopped
T01 >> 1462358383.70763206 redistribute (690.06891s) started
T01 << 1462358384.36943412 redistribute (690.73071s) stopped
T01 << 1462358384.37127209 van der Waals (6381.42911s) stopped
T01 << 1462358384.54836607 XC 3D grid (6610.66620s) stopped
T01 >> 1462358384.54842496 Poisson (1333.20777s) started
T01 << 1462358386.32560396 Poisson (1334.98495s) stopped
T01 >> 1462358386.32573509 Hartree integrate/restrict (52.34227s) started
T01 << 1462358386.34455895 Hartree integrate/restrict (52.36109s) stopped
T01 >> 1462358386.34470391 Hartree integrate/restrict (52.36120s) started
T01 << 1462358386.40720010 Hartree integrate/restrict (52.42369s) stopped
T01 >> 1462358386.42993593 Atomic (4057.14145s) started
T01 >> 1462358386.44014406 XC Correction (4048.76433s) started
T01 << 1462358392.70250297 XC Correction (4055.02669s) stopped
T01 << 1462358392.70551991 Atomic (4063.41703s) stopped
T01 >> 1462358392.70562005 Communicate (3182.89559s) started
T01 << 1462358397.42914891 Communicate (3187.61912s) stopped
T01 << 1462358397.42917299 Hamiltonian (15272.01812s) stopped
T01 >> 1462358397.42923594 LCAO eigensolver (5500.25155s) started
T01 >> 1462358397.42924905 Potential matrix (177.85390s) started
T01 << 1462358397.69678402 Potential matrix (178.12144s) stopped
T01 >> 1462358397.69685006 DistributedAtomicCorrection (915.53762s) started
T01 << 1462358399.07189488 DistributedAtomicCorrection (916.91267s) stopped
T01 >> 1462358399.07196093 Distribute overlap matrix (802.28520s) started
T01 >> 1462358399.07198310 blocked summation (760.99239s) started
T01 << 1462358400.21074796 blocked summation (762.13115s) stopped
T01 >> 1462358400.21239495 Scalapack redistribute (40.19494s) started
T01 << 1462358400.27083302 Scalapack redistribute (40.25338s) stopped
T01 << 1462358400.27092791 Distribute overlap matrix (803.48417s) stopped
T01 >> 1462358400.27155805 Blacs Orbital Layouts (1887.18929s) started
T01 >> 1462358400.27312207 General diagonalize (1849.28035s) started
T01 << 1462358402.96919703 General diagonalize (1851.97643s) stopped
T01 >> 1462358402.96926308 Redistribute coefs (2.07965s) started
T01 << 1462358402.97296691 Redistribute coefs (2.08336s) stopped
T01 >> 1462358402.97301507 Send coefs to domains (34.74101s) started
T01 << 1462358403.02470398 Send coefs to domains (34.79270s) stopped
T01 << 1462358403.02506995 Blacs Orbital Layouts (1889.94280s) stopped
T01 >> 1462358403.02512288 Calculate projections (1716.80024s) started
T01 << 1462358405.48480010 Calculate projections (1719.25992s) stopped
T01 << 1462358405.48507190 LCAO eigensolver (5508.30739s) stopped
T01 >> 1462358405.48578906 Density (1355.95385s) started
T01 >> 1462358405.48580098 Pseudo density (1122.53837s) started
T01 >> 1462358405.48623800 Calculate density matrix (1008.91927s) started
T01 << 1462358407.08692098 Calculate density matrix (1010.51995s) stopped
T01 >> 1462358407.08700991 Construct density (112.01522s) started
T01 << 1462358407.26907301 Construct density (112.19728s) stopped
T01 >> 1462358407.27086306 Symmetrize density (0.02833s) started
T01 << 1462358407.27089691 Symmetrize density (0.02836s) stopped
T01 << 1462358407.27133703 Pseudo density (1124.32391s) stopped
T01 >> 1462358407.27135611 Atomic density matrices (154.96719s) started
T01 << 1462358407.52134299 Atomic density matrices (155.21718s) stopped
T01 >> 1462358407.52137995 Multipole moments (2.52915s) started
T01 << 1462358407.52560902 Multipole moments (2.53338s) stopped
T01 >> 1462358407.52563095 Normalize (0.69367s) started
T01 << 1462358407.52670789 Normalize (0.69474s) stopped
T01 >> 1462358407.52674294 Mix (75.18205s) started
T01 << 1462358407.64767408 Mix (75.30298s) stopped
T01 << 1462358407.64778090 Density (1358.11584s) stopped
T01 >> 1462358407.64788389 Hamiltonian (15272.01813s) started
T01 >> 1462358407.64790606 vbar (9.22670s) started
T01 << 1462358407.66262007 vbar (9.24142s) stopped
T01 >> 1462358407.66269112 XC 3D grid (6610.66625s) started
T01 >> 1462358407.84004903 van der Waals (6381.42920s) started
T01 >> 1462358407.88023090 semilocal (1433.39917s) started
T01 << 1462358410.09941292 semilocal (1435.61835s) stopped
T01 >> 1462358410.13099599 redistribute (690.73083s) started
T01 << 1462358410.52287197 redistribute (691.12271s) stopped
T01 >> 1462358410.52294111 libvdwxc nonlocal (4208.63903s) started
T01 << 1462358417.18494296 libvdwxc nonlocal (4215.30103s) stopped
T01 >> 1462358417.18503499 redistribute (691.12275s) started
T01 << 1462358417.85246801 redistribute (691.79018s) stopped
T01 << 1462358417.85434699 van der Waals (6391.44350s) stopped
T01 << 1462358418.02622008 XC 3D grid (6621.02978s) stopped
T01 >> 1462358418.02626801 Poisson (1334.98505s) started
T01 << 1462358419.79760695 Poisson (1336.75639s) stopped
T01 >> 1462358419.79768705 Hartree integrate/restrict (52.42373s) started
T01 << 1462358419.81644392 Hartree integrate/restrict (52.44248s) stopped
T01 >> 1462358419.81653404 Hartree integrate/restrict (52.44255s) started
T01 << 1462358419.87882304 Hartree integrate/restrict (52.50484s) stopped
T01 >> 1462358419.90129590 Atomic (4063.41705s) started
T01 >> 1462358419.91157007 XC Correction (4055.02671s) started
T01 << 1462358426.18662405 XC Correction (4061.30177s) stopped
T01 << 1462358426.18963504 Atomic (4069.70539s) stopped
T01 >> 1462358426.18973804 Communicate (3187.61914s) started
T01 << 1462358430.90873408 Communicate (3192.33813s) stopped
T01 << 1462358430.90875602 Hamiltonian (15295.27901s) stopped
T01 >> 1462358430.90882111 LCAO eigensolver (5508.30741s) started
T01 >> 1462358430.90883398 Potential matrix (178.12147s) started
T01 << 1462358431.17806506 Potential matrix (178.39070s) stopped
T01 >> 1462358431.17813301 DistributedAtomicCorrection (916.91269s) started
T01 << 1462358432.54399395 DistributedAtomicCorrection (918.27856s) stopped
T01 >> 1462358432.54406095 Distribute overlap matrix (803.48418s) started
T01 >> 1462358432.54408312 blocked summation (762.13119s) started
T01 << 1462358433.67550206 blocked summation (763.26261s) stopped
T01 >> 1462358433.67724609 Scalapack redistribute (40.25343s) started
T01 << 1462358433.73865008 Scalapack redistribute (40.31483s) stopped
T01 << 1462358433.73873210 Distribute overlap matrix (804.67885s) stopped
T01 >> 1462358433.73931003 Blacs Orbital Layouts (1889.94282s) started
T01 >> 1462358433.74075198 General diagonalize (1851.97647s) started
T01 << 1462358436.43007994 General diagonalize (1854.66580s) stopped
T01 >> 1462358436.43014598 Redistribute coefs (2.08340s) started
T01 << 1462358436.43383288 Redistribute coefs (2.08708s) stopped
T01 >> 1462358436.43388009 Send coefs to domains (34.79274s) started
T01 << 1462358436.48495197 Send coefs to domains (34.84382s) stopped
T01 << 1462358436.48526502 Blacs Orbital Layouts (1892.68877s) stopped
T01 >> 1462358436.48532295 Calculate projections (1719.25998s) started
T01 << 1462358438.94536400 Calculate projections (1721.72002s) stopped
T01 << 1462358438.94564009 LCAO eigensolver (5516.34423s) stopped
T01 >> 1462358438.94652605 Density (1358.11586s) started
T01 >> 1462358438.94653893 Pseudo density (1124.32392s) started
T01 >> 1462358438.94698691 Calculate density matrix (1010.51999s) started
T01 << 1462358440.54296398 Calculate density matrix (1012.11597s) stopped
T01 >> 1462358440.54305792 Construct density (112.19731s) started
T01 << 1462358440.72556496 Construct density (112.37982s) stopped
T01 >> 1462358440.72801590 Symmetrize density (0.02837s) started
T01 << 1462358440.72804904 Symmetrize density (0.02841s) stopped
T01 << 1462358440.72849202 Pseudo density (1126.10587s) stopped
T01 >> 1462358440.72851110 Atomic density matrices (155.21720s) started
T01 << 1462358440.97724795 Atomic density matrices (155.46594s) stopped
T01 >> 1462358440.97731495 Multipole moments (2.53339s) started
T01 << 1462358440.98151207 Multipole moments (2.53759s) stopped
T01 >> 1462358440.98153400 Normalize (0.69477s) started
T01 << 1462358440.98261094 Normalize (0.69584s) stopped
T01 >> 1462358440.98265004 Mix (75.30308s) started
T01 << 1462358441.10265708 Mix (75.42309s) stopped
T01 << 1462358441.10271001 Density (1360.27205s) stopped
T01 >> 1462358441.10279703 Hamiltonian (15295.27902s) started
T01 >> 1462358441.10281706 vbar (9.24146s) started
T01 << 1462358441.11872911 vbar (9.25737s) stopped
T01 >> 1462358441.11879110 XC 3D grid (6621.02981s) started
T01 >> 1462358441.30222392 van der Waals (6391.44355s) started
T01 >> 1462358441.34285307 semilocal (1435.61842s) started
T01 << 1462358443.58296204 semilocal (1437.85853s) stopped
T01 >> 1462358443.61349893 redistribute (691.79029s) started
T01 << 1462358443.98954606 redistribute (692.16633s) stopped
T01 >> 1462358443.98961401 libvdwxc nonlocal (4215.30110s) started
T01 << 1462358450.68487191 libvdwxc nonlocal (4221.99635s) stopped
T01 >> 1462358450.68496203 redistribute (692.16637s) started
T01 << 1462358451.35095501 redistribute (692.83237s) stopped
T01 << 1462358451.35237694 van der Waals (6401.49370s) stopped
T01 << 1462358451.53289104 XC 3D grid (6631.44391s) stopped
T01 >> 1462358451.53293705 Poisson (1336.75645s) started
T01 << 1462358452.72516489 Poisson (1337.94867s) stopped
T01 >> 1462358452.72525406 Hartree integrate/restrict (52.50487s) started
T01 << 1462358452.74421406 Hartree integrate/restrict (52.52383s) stopped
T01 >> 1462358452.74429989 Hartree integrate/restrict (52.52390s) started
T01 << 1462358452.80599403 Hartree integrate/restrict (52.58559s) stopped
T01 >> 1462358452.83012700 Atomic (4069.70541s) started
T01 >> 1462358452.84042501 XC Correction (4061.30179s) started
T01 << 1462358459.08150792 XC Correction (4067.54288s) stopped
T01 << 1462358459.08453107 Atomic (4075.95981s) stopped
T01 >> 1462358459.08463407 Communicate (3192.33815s) started
T01 << 1462358463.83818412 Communicate (3197.09170s) stopped
T01 << 1462358463.83820701 Hamiltonian (15318.01443s) stopped
T01 >> 1462358463.83827400 LCAO eigensolver (5516.34425s) started
T01 >> 1462358463.83828712 Potential matrix (178.39073s) started
T01 << 1462358464.10794497 Potential matrix (178.66039s) stopped
T01 >> 1462358464.10801411 DistributedAtomicCorrection (918.27858s) started
T01 << 1462358465.47809911 DistributedAtomicCorrection (919.64867s) stopped
T01 >> 1462358465.47816706 Distribute overlap matrix (804.67886s) started
T01 >> 1462358465.47818804 blocked summation (763.26265s) started
T01 << 1462358466.60816407 blocked summation (764.39262s) stopped
T01 >> 1462358466.60960793 Scalapack redistribute (40.31487s) started
T01 << 1462358466.67041206 Scalapack redistribute (40.37567s) stopped
T01 << 1462358466.67049503 Distribute overlap matrix (805.87119s) stopped
T01 >> 1462358466.67109394 Blacs Orbital Layouts (1892.68879s) started
T01 >> 1462358466.67324495 General diagonalize (1854.66584s) started
T01 << 1462358469.39998293 General diagonalize (1857.39257s) stopped
T01 >> 1462358469.40004802 Redistribute coefs (2.08712s) started
T01 << 1462358469.40317202 Redistribute coefs (2.09024s) stopped
T01 >> 1462358469.40322089 Send coefs to domains (34.84386s) started
T01 << 1462358469.45549893 Send coefs to domains (34.89614s) stopped
T01 << 1462358469.45606709 Blacs Orbital Layouts (1895.47377s) stopped
T01 >> 1462358469.45612502 Calculate projections (1721.72007s) started
T01 << 1462358471.91595101 Calculate projections (1724.17990s) stopped
T01 << 1462358471.91622710 LCAO eigensolver (5524.42220s) stopped
T01 >> 1462358471.91694188 Density (1360.27206s) started
T01 >> 1462358471.91695499 Pseudo density (1126.10589s) started
T01 >> 1462358471.91740108 Calculate density matrix (1012.11601s) started
T01 << 1462358473.51777792 Calculate density matrix (1013.71639s) stopped
T01 >> 1462358473.51786590 Construct density (112.37985s) started
T01 << 1462358473.70092797 Construct density (112.56291s) stopped
T01 >> 1462358473.70234609 Symmetrize density (0.02842s) started
T01 << 1462358473.70237803 Symmetrize density (0.02845s) stopped
T01 << 1462358473.70282888 Pseudo density (1127.89176s) stopped
T01 >> 1462358473.70284891 Atomic density matrices (155.46599s) started
T01 << 1462358473.95150495 Atomic density matrices (155.71465s) stopped
T01 >> 1462358473.95154190 Multipole moments (2.53760s) started
T01 << 1462358473.95575809 Multipole moments (2.54182s) stopped
T01 >> 1462358473.95578003 Normalize (0.69587s) started
T01 << 1462358473.95685601 Normalize (0.69695s) stopped
T01 >> 1462358473.95689011 Mix (75.42314s) started
T01 << 1462358474.07793093 Mix (75.54418s) stopped
T01 << 1462358474.07804489 Density (1362.43317s) stopped
T01 >> 1462358474.07815289 Hamiltonian (15318.01444s) started
T01 >> 1462358474.07817292 vbar (9.25740s) started
T01 << 1462358474.09272790 vbar (9.27196s) stopped
T01 >> 1462358474.09279704 XC 3D grid (6631.44395s) started
T01 >> 1462358474.27194190 van der Waals (6401.49375s) started
T01 >> 1462358474.31247902 semilocal (1437.85859s) started
T01 << 1462358476.53061891 semilocal (1440.07673s) stopped
T01 >> 1462358476.56174397 redistribute (692.83241s) started
T01 << 1462358476.93881392 redistribute (693.20948s) stopped
T01 >> 1462358476.93888211 libvdwxc nonlocal (4221.99642s) started
T01 << 1462358483.61287808 libvdwxc nonlocal (4228.67041s) stopped
T01 >> 1462358483.61294007 redistribute (693.20952s) started
T01 << 1462358484.26767111 redistribute (693.86425s) stopped
T01 << 1462358484.26891804 van der Waals (6411.49073s) stopped
T01 << 1462358484.45068789 XC 3D grid (6641.80184s) stopped
T01 >> 1462358484.45073390 Poisson (1337.94874s) started
T01 << 1462358485.64410090 Poisson (1339.14211s) stopped
T01 >> 1462358485.64417911 Hartree integrate/restrict (52.58563s) started
T01 << 1462358485.66305995 Hartree integrate/restrict (52.60451s) stopped
T01 >> 1462358485.66310596 Hartree integrate/restrict (52.60454s) started
T01 << 1462358485.72455311 Hartree integrate/restrict (52.66599s) stopped
T01 >> 1462358485.74829602 Atomic (4075.95983s) started
T01 >> 1462358485.75856495 XC Correction (4067.54290s) started
T01 << 1462358492.04825497 XC Correction (4073.83259s) stopped
T01 << 1462358492.05127192 Atomic (4082.26281s) stopped
T01 >> 1462358492.05137110 Communicate (3197.09171s) started
T01 << 1462358496.79373598 Communicate (3201.83408s) stopped
T01 << 1462358496.79375911 Hamiltonian (15340.73005s) stopped
T01 >> 1462358496.79382396 LCAO eigensolver (5524.42222s) started
T01 >> 1462358496.79383707 Potential matrix (178.66043s) started
T01 << 1462358497.06370711 Potential matrix (178.93030s) stopped
T01 >> 1462358497.06377292 DistributedAtomicCorrection (919.64870s) started
T01 << 1462358498.42878604 DistributedAtomicCorrection (921.01371s) stopped
T01 >> 1462358498.42885399 Distribute overlap matrix (805.87120s) started
T01 >> 1462358498.42887592 blocked summation (764.39266s) started
T01 << 1462358499.57346296 blocked summation (765.53725s) stopped
T01 >> 1462358499.57511806 Scalapack redistribute (40.37571s) started
T01 << 1462358499.63391709 Scalapack redistribute (40.43451s) stopped
T01 << 1462358499.63399911 Distribute overlap matrix (807.07634s) stopped
T01 >> 1462358499.63459396 Blacs Orbital Layouts (1895.47379s) started
T01 >> 1462358499.63594198 General diagonalize (1857.39261s) started
T01 << 1462358502.31971502 General diagonalize (1860.07639s) stopped
T01 >> 1462358502.31978202 Redistribute coefs (2.09028s) started
T01 << 1462358502.32237697 Redistribute coefs (2.09288s) stopped
T01 >> 1462358502.32246494 Send coefs to domains (34.89618s) started
T01 << 1462358502.37464595 Send coefs to domains (34.94836s) stopped
T01 << 1462358502.37496400 Blacs Orbital Layouts (1898.21416s) stopped
T01 >> 1462358502.37502694 Calculate projections (1724.17996s) started
T01 << 1462358504.83519197 Calculate projections (1726.64012s) stopped
T01 << 1462358504.83547211 LCAO eigensolver (5532.46387s) stopped
T01 << 1462358504.83634996 SCF-cycle (22236.20291s) stopped
T01 >> 1462358505.74106598 Force calculation (1272.77500s) started
T01 >> 1462358505.74115491 LCAO forces (788.64846s) started
T01 >> 1462358505.74151301 Initial (0.00093s) started
T01 << 1462358505.74152398 Initial (0.00094s) stopped
T01 >> 1462358505.74586701 Get density matrix (154.09766s) started
T01 << 1462358506.35132694 Get density matrix (154.70312s) stopped
T01 >> 1462358506.35137510 Potential (56.66785s) started
T01 << 1462358507.78771091 Potential (58.10418s) stopped
T01 >> 1462358507.78776503 Get density matrix (154.70316s) started
T01 << 1462358511.02779198 Get density matrix (157.94319s) stopped
T01 >> 1462358511.02792406 Prepare TCI loop (77.24242s) started
T01 >> 1462358511.02841711 Get neighbors (72.18369s) started
T01 << 1462358512.86454511 Get neighbors (74.01982s) stopped
T01 >> 1462358512.86476803 broadcast dH (5.02992s) started
T01 << 1462358512.87501788 broadcast dH (5.04017s) stopped
T01 << 1462358512.87506199 Prepare TCI loop (79.08956s) stopped
T01 >> 1462358512.87507892 Not so complicated loop (110.84074s) started
T01 << 1462358515.58966589 Not so complicated loop (113.55532s) stopped
T01 >> 1462358515.71584702 Complicated loop (384.16018s) started
T01 << 1462358525.30550909 Complicated loop (393.74984s) stopped
T01 >> 1462358525.32005596 Wait for sum (0.00230s) started
T01 << 1462358525.32010007 Wait for sum (0.00235s) stopped
T01 << 1462358525.32011390 LCAO forces (808.22742s) stopped
T01 << 1462358537.67817807 Force calculation (1304.71211s) stopped
T01 >> 1462358537.69632006 Initialization (2106.16679s) started
T01 << 1462358537.69652200 Initialization (2106.16699s) stopped
T01 >> 1462358537.69679999 Initialization (2106.16701s) started
T01 << 1462358537.69693804 Initialization (2106.16715s) stopped
T01 >> 1462358537.69707990 Initialization (2106.16716s) started
T01 << 1462358537.69721603 Initialization (2106.16730s) stopped
T01 >> 1462358558.04883003 Initialization (2106.16732s) started
T01 >> 1462358558.11443710 Basic WFS set positions (4.07341s) started
T01 >> 1462358558.11446404 Redistribute (0.07973s) started
T01 << 1462358558.12012792 Redistribute (0.08539s) stopped
T01 << 1462358558.21982908 Basic WFS set positions (4.17880s) stopped
T01 >> 1462358558.21986008 Basis functions set positions (17.36384s) started
T01 << 1462358558.62803698 Basis functions set positions (17.77202s) stopped
T01 >> 1462358558.62946296 TCI: Calculate S, T, P (630.91871s) started
T01 << 1462358573.92946601 TCI: Calculate S, T, P (646.21871s) stopped
T01 >> 1462358573.92954111 blocked summation (168.13577s) started
T01 << 1462358577.89560199 blocked summation (172.10183s) stopped
T01 >> 1462358577.89719200 Scalapack redistribute (10.07457s) started
T01 << 1462358577.95612597 Scalapack redistribute (10.13351s) stopped
T01 >> 1462358577.95652604 blocked summation (172.10187s) started
T01 << 1462358578.11620808 blocked summation (172.26155s) stopped
T01 >> 1462358578.11782503 Scalapack redistribute (10.13357s) started
T01 << 1462358578.32091308 Scalapack redistribute (10.33666s) stopped
T01 >> 1462358578.32239795 Redistribute (0.08454s) started
T01 << 1462358578.32337308 Redistribute (0.08551s) stopped
T01 >> 1462358579.26904511 Redistribute (0.08553s) started
T01 << 1462358579.27007103 Redistribute (0.08656s) stopped
T01 >> 1462358579.28059912 LCAO WFS Initialize (1231.71989s) started
T01 >> 1462358579.28062797 Density initialize from wavefunctions (49.96976s) started
T01 >> 1462358579.28104711 Calculate density matrix (28.90914s) started
T01 << 1462358579.99006295 Calculate density matrix (29.61816s) stopped
T01 >> 1462358579.99013090 Construct density (7.17758s) started
T01 << 1462358580.17334008 Construct density (7.36079s) stopped
T01 >> 1462358580.17494297 Symmetrize density (0.00178s) started
T01 << 1462358580.17497706 Symmetrize density (0.00181s) stopped
T01 << 1462358580.51832294 Density initialize from wavefunctions (51.20745s) stopped
T01 >> 1462358580.51891303 Hamiltonian (1181.53088s) started
T01 >> 1462358580.51894689 vbar (0.61916s) started
T01 << 1462358580.53406191 vbar (0.63427s) stopped
T01 >> 1462358580.53413105 XC 3D grid (431.93776s) started
T01 >> 1462358580.71514297 van der Waals (416.96105s) started
T01 >> 1462358580.75639796 semilocal (93.07431s) started
T01 << 1462358582.98850489 semilocal (95.30641s) stopped
T01 >> 1462358583.02100110 redistribute (44.68977s) started
T01 << 1462358583.40809298 redistribute (45.07686s) stopped
T01 >> 1462358583.40816593 libvdwxc nonlocal (276.01142s) started
T01 << 1462358590.11879802 libvdwxc nonlocal (282.72205s) stopped
T01 >> 1462358590.11884689 redistribute (45.07690s) started
T01 << 1462358590.76801610 redistribute (45.72607s) stopped
T01 << 1462358590.76917100 van der Waals (427.01507s) stopped
T01 << 1462358590.94963408 XC 3D grid (442.35326s) stopped
T01 >> 1462358590.94968796 Poisson (198.28645s) started
T01 << 1462358595.62899590 Poisson (202.96576s) stopped
T01 >> 1462358595.62906098 Hartree integrate/restrict (3.38991s) started
T01 << 1462358595.64824605 Hartree integrate/restrict (3.40909s) stopped
T01 >> 1462358595.64832211 Hartree integrate/restrict (3.40915s) started
T01 << 1462358595.70818496 Hartree integrate/restrict (3.46901s) stopped
T01 >> 1462358595.72847891 Atomic (278.60867s) started
T01 >> 1462358595.73894811 XC Correction (278.04799s) started
T01 << 1462358602.12466693 XC Correction (284.43371s) stopped
T01 << 1462358602.12767792 Atomic (285.00787s) stopped
T01 >> 1462358602.12788796 Communicate (267.77340s) started
T01 << 1462358608.89538693 Communicate (274.54090s) stopped
T01 << 1462358608.89541006 Hamiltonian (1209.90738s) stopped
T01 << 1462358608.89546204 LCAO WFS Initialize (1261.33475s) stopped
T01 << 1462358608.90744209 Initialization (2157.02593s) stopped
T01 >> 1462358608.93233609 SCF-cycle (22236.20293s) started
T01 >> 1462358608.93237495 LCAO eigensolver (5532.46389s) started
T01 >> 1462358608.93238807 Potential matrix (178.93033s) started
T01 << 1462358609.20242500 Potential matrix (179.20037s) stopped
T01 >> 1462358609.20249200 DistributedAtomicCorrection (921.01374s) started
T01 << 1462358610.53559995 DistributedAtomicCorrection (922.34685s) stopped
T01 >> 1462358610.53565192 Distribute overlap matrix (807.07636s) started
T01 >> 1462358610.53567410 blocked summation (765.53729s) started
T01 << 1462358611.73101091 blocked summation (766.73262s) stopped
T01 >> 1462358611.73258901 Scalapack redistribute (40.43454s) started
T01 << 1462358611.79191303 Scalapack redistribute (40.49387s) stopped
T01 << 1462358611.79200411 Distribute overlap matrix (808.33271s) stopped
T01 >> 1462358611.79260612 Blacs Orbital Layouts (1898.21418s) started
T01 >> 1462358611.79481697 General diagonalize (1860.07642s) started
T01 << 1462358614.51992011 General diagonalize (1862.80153s) stopped
T01 >> 1462358614.51996994 Redistribute coefs (2.09291s) started
T01 << 1462358614.52276397 Redistribute coefs (2.09571s) stopped
T01 >> 1462358614.52281094 Send coefs to domains (34.94840s) started
T01 << 1462358614.57552600 Send coefs to domains (35.00112s) stopped
T01 << 1462358614.57610202 Blacs Orbital Layouts (1900.99767s) stopped
T01 >> 1462358614.57613802 Calculate projections (1726.64018s) started
T01 << 1462358617.01487589 Calculate projections (1729.07892s) stopped
T01 << 1462358617.01496100 LCAO eigensolver (5540.54647s) stopped
T01 >> 1462358617.01563311 Density (1362.43319s) started
T01 >> 1462358617.01565003 Pseudo density (1127.89178s) started
T01 >> 1462358617.01617098 Calculate density matrix (1013.71643s) started
T01 << 1462358618.62285590 Calculate density matrix (1015.32312s) stopped
T01 >> 1462358618.62292099 Construct density (112.56294s) started
T01 << 1462358618.80591106 Construct density (112.74593s) stopped
T01 >> 1462358618.80733800 Symmetrize density (0.02846s) started
T01 << 1462358618.80737090 Symmetrize density (0.02849s) stopped
T01 << 1462358618.80782008 Pseudo density (1129.68395s) stopped
T01 >> 1462358618.80784011 Atomic density matrices (155.71467s) started
T01 << 1462358619.05459499 Atomic density matrices (155.96143s) stopped
T01 >> 1462358619.05463290 Multipole moments (2.54183s) started
T01 << 1462358619.05875897 Multipole moments (2.54596s) stopped
T01 >> 1462358619.05881190 Normalize (0.69697s) started
T01 << 1462358619.05990791 Normalize (0.69807s) stopped
T01 >> 1462358619.05994511 Mix (75.54429s) started
T01 << 1462358619.16669798 Mix (75.65104s) stopped
T01 << 1462358619.16674900 Density (1364.58430s) stopped
T01 >> 1462358619.16684604 Hamiltonian (15340.73006s) started
T01 >> 1462358619.16686511 vbar (9.27200s) started
T01 << 1462358619.18197489 vbar (9.28711s) stopped
T01 >> 1462358619.18203807 XC 3D grid (6641.80187s) started
T01 >> 1462358619.35905504 van der Waals (6411.49077s) started
T01 >> 1462358619.39972901 semilocal (1440.07682s) started
T01 << 1462358621.59444094 semilocal (1442.27154s) stopped
T01 >> 1462358621.62652612 redistribute (693.86429s) started
T01 << 1462358622.03286910 redistribute (694.27063s) stopped
T01 >> 1462358622.03294110 libvdwxc nonlocal (4228.67045s) started
T01 << 1462358628.73663712 libvdwxc nonlocal (4235.37415s) stopped
T01 >> 1462358628.73674989 redistribute (694.27067s) started
T01 << 1462358629.39134789 redistribute (694.92527s) stopped
T01 << 1462358629.39258099 van der Waals (6421.52430s) stopped
T01 << 1462358629.57358789 XC 3D grid (6652.19342s) stopped
T01 >> 1462358629.57365394 Poisson (1339.14217s) started
T01 << 1462358631.93454599 Poisson (1341.50306s) stopped
T01 >> 1462358631.93463206 Hartree integrate/restrict (52.66603s) started
T01 << 1462358631.95362711 Hartree integrate/restrict (52.68503s) stopped
T01 >> 1462358631.95373297 Hartree integrate/restrict (52.68510s) started
T01 << 1462358632.01574206 Hartree integrate/restrict (52.74711s) stopped
T01 >> 1462358632.03372002 Atomic (4082.26283s) started
T01 >> 1462358632.04391003 XC Correction (4073.83261s) started
T01 << 1462358638.47503209 XC Correction (4080.26374s) stopped
T01 << 1462358638.47799802 Atomic (4088.70710s) stopped
T01 >> 1462358638.47809601 Communicate (3201.83409s) started
T01 << 1462358644.81861997 Communicate (3208.17462s) stopped
T01 << 1462358644.81864500 Hamiltonian (15366.38186s) stopped
T01 >> 1462358644.81871104 LCAO eigensolver (5540.54648s) started
T01 >> 1462358644.81872392 Potential matrix (179.20040s) started
T01 << 1462358645.08948398 Potential matrix (179.47116s) stopped
T01 >> 1462358645.08955193 DistributedAtomicCorrection (922.34687s) started
T01 << 1462358646.42004609 DistributedAtomicCorrection (923.67737s) stopped
T01 >> 1462358646.42009401 Distribute overlap matrix (808.33272s) started
T01 >> 1462358646.42011499 blocked summation (766.73266s) started
T01 << 1462358647.63087797 blocked summation (767.94343s) stopped
T01 >> 1462358647.63246703 Scalapack redistribute (40.49390s) started
T01 << 1462358647.69382000 Scalapack redistribute (40.55526s) stopped
T01 << 1462358647.69390512 Distribute overlap matrix (809.60653s) stopped
T01 >> 1462358647.69452906 Blacs Orbital Layouts (1900.99769s) started
T01 >> 1462358647.69601607 General diagonalize (1862.80157s) started
T01 << 1462358650.41386509 General diagonalize (1865.51942s) stopped
T01 >> 1462358650.41393209 Redistribute coefs (2.09574s) started
T01 << 1462358650.41670799 Redistribute coefs (2.09852s) stopped
T01 >> 1462358650.41679692 Send coefs to domains (35.00116s) started
T01 << 1462358650.46922708 Send coefs to domains (35.05359s) stopped
T01 << 1462358650.46955705 Blacs Orbital Layouts (1903.77272s) stopped
T01 >> 1462358650.46960902 Calculate projections (1729.07898s) started
T01 << 1462358652.90812302 Calculate projections (1731.51749s) stopped
T01 << 1462358652.90820694 LCAO eigensolver (5548.63598s) stopped
T01 >> 1462358652.90887094 Density (1364.58432s) started
T01 >> 1462358652.90888405 Pseudo density (1129.68396s) started
T01 >> 1462358652.90939593 Calculate density matrix (1015.32316s) started
T01 << 1462358654.51406598 Calculate density matrix (1016.92783s) stopped
T01 >> 1462358654.51413393 Construct density (112.74595s) started
T01 << 1462358654.69772005 Construct density (112.92954s) stopped
T01 >> 1462358654.69912696 Symmetrize density (0.02850s) started
T01 << 1462358654.69916105 Symmetrize density (0.02854s) stopped
T01 << 1462358654.69959402 Pseudo density (1131.47467s) stopped
T01 >> 1462358654.69961309 Atomic density matrices (155.96145s) started
T01 << 1462358654.94624901 Atomic density matrices (156.20809s) stopped
T01 >> 1462358654.94628596 Multipole moments (2.54601s) started
T01 << 1462358654.95040607 Multipole moments (2.55013s) stopped
T01 >> 1462358654.95042896 Normalize (0.69809s) started
T01 << 1462358654.95156097 Normalize (0.69922s) stopped
T01 >> 1462358654.95159602 Mix (75.65109s) started
T01 << 1462358655.06228089 Mix (75.76178s) stopped
T01 << 1462358655.06239295 Density (1366.73784s) stopped
T01 >> 1462358655.06251311 Hamiltonian (15366.38187s) started
T01 >> 1462358655.06253290 vbar (9.28714s) started
T01 << 1462358655.07732797 vbar (9.30194s) stopped
T01 >> 1462358655.07738900 XC 3D grid (6652.19347s) started
T01 >> 1462358655.25715590 van der Waals (6421.52434s) started
T01 >> 1462358655.29713893 semilocal (1442.27167s) started
T01 << 1462358657.52267599 semilocal (1444.49720s) stopped
T01 >> 1462358657.55308199 redistribute (694.92531s) started
T01 << 1462358657.92871404 redistribute (695.30095s) stopped
T01 >> 1462358657.92878389 libvdwxc nonlocal (4235.37423s) started
T01 << 1462358664.61603093 libvdwxc nonlocal (4242.06148s) stopped
T01 >> 1462358664.61609602 redistribute (695.30098s) started
T01 << 1462358665.27618909 redistribute (695.96108s) stopped
T01 << 1462358665.27738404 van der Waals (6431.54457s) stopped
T01 << 1462358665.45642805 XC 3D grid (6662.57251s) stopped
T01 >> 1462358665.45647311 Poisson (1341.50312s) started
T01 << 1462358667.23026204 Poisson (1343.27691s) stopped
T01 >> 1462358667.23036098 Hartree integrate/restrict (52.74715s) started
T01 << 1462358667.24932909 Hartree integrate/restrict (52.76611s) stopped
T01 >> 1462358667.24939108 Hartree integrate/restrict (52.76615s) started
T01 << 1462358667.31103110 Hartree integrate/restrict (52.82779s) stopped
T01 >> 1462358667.32914090 Atomic (4088.70712s) started
T01 >> 1462358667.33926606 XC Correction (4080.26376s) started
T01 << 1462358673.56043792 XC Correction (4086.48493s) stopped
T01 << 1462358673.56342196 Atomic (4094.94140s) stopped
T01 >> 1462358673.56352305 Communicate (3208.17463s) started
T01 << 1462358679.57818389 Communicate (3214.18929s) stopped
T01 << 1462358679.57820702 Hamiltonian (15390.89757s) stopped
T01 >> 1462358679.57827091 LCAO eigensolver (5548.63599s) started
T01 >> 1462358679.57828403 Potential matrix (179.47120s) started
T01 << 1462358679.84756994 Potential matrix (179.74048s) stopped
T01 >> 1462358679.84763694 DistributedAtomicCorrection (923.67739s) started
T01 << 1462358681.17582703 DistributedAtomicCorrection (925.00558s) stopped
T01 >> 1462358681.17587495 Distribute overlap matrix (809.60654s) started
T01 >> 1462358681.17589593 blocked summation (767.94346s) started
T01 << 1462358682.38695312 blocked summation (769.15452s) stopped
T01 >> 1462358682.38852191 Scalapack redistribute (40.55529s) started
T01 << 1462358682.44631505 Scalapack redistribute (40.61309s) stopped
T01 << 1462358682.44641709 Distribute overlap matrix (810.87708s) stopped
T01 >> 1462358682.44705200 Blacs Orbital Layouts (1903.77274s) started
T01 >> 1462358682.44858789 General diagonalize (1865.51945s) started
T01 << 1462358685.16913795 General diagonalize (1868.24000s) stopped
T01 >> 1462358685.16920304 Redistribute coefs (2.09855s) started
T01 << 1462358685.17204595 Redistribute coefs (2.10140s) stopped
T01 >> 1462358685.17213893 Send coefs to domains (35.05364s) started
T01 << 1462358685.22498012 Send coefs to domains (35.10648s) stopped
T01 << 1462358685.22533107 Blacs Orbital Layouts (1906.55102s) stopped
T01 >> 1462358685.22538400 Calculate projections (1731.51755s) started
T01 << 1462358687.66373897 Calculate projections (1733.95591s) stopped
T01 << 1462358687.66382194 LCAO eigensolver (5556.72154s) stopped
T01 >> 1462358687.66454601 Density (1366.73786s) started
T01 >> 1462358687.66455889 Pseudo density (1131.47468s) started
T01 >> 1462358687.66508198 Calculate density matrix (1016.92787s) started
T01 << 1462358689.28492689 Calculate density matrix (1018.54772s) stopped
T01 >> 1462358689.28506899 Construct density (112.92957s) started
T01 << 1462358689.46815896 Construct density (113.11266s) stopped
T01 >> 1462358689.46955895 Symmetrize density (0.02855s) started
T01 << 1462358689.46959209 Symmetrize density (0.02858s) stopped
T01 << 1462358689.47003102 Pseudo density (1133.28016s) stopped
T01 >> 1462358689.47005105 Atomic density matrices (156.20812s) started
T01 << 1462358689.71634698 Atomic density matrices (156.45441s) stopped
T01 >> 1462358689.71638298 Multipole moments (2.55014s) started
T01 << 1462358689.72049904 Multipole moments (2.55426s) stopped
T01 >> 1462358689.72052193 Normalize (0.69925s) started
T01 << 1462358689.72165895 Normalize (0.70039s) stopped
T01 >> 1462358689.72169399 Mix (75.76189s) started
T01 << 1462358689.83553505 Mix (75.87573s) stopped
T01 << 1462358689.83564997 Density (1368.90896s) stopped
T01 >> 1462358689.83576608 Hamiltonian (15390.89758s) started
T01 >> 1462358689.83578706 vbar (9.30197s) started
T01 << 1462358689.85048890 vbar (9.31667s) stopped
T01 >> 1462358689.85055399 XC 3D grid (6662.57255s) started
T01 >> 1462358690.03034806 van der Waals (6431.54463s) started
T01 >> 1462358690.07215810 semilocal (1444.49727s) started
T01 << 1462358692.29518700 semilocal (1446.72030s) stopped
T01 >> 1462358692.32751203 redistribute (695.96112s) started
T01 << 1462358692.71208501 redistribute (696.34569s) stopped
T01 >> 1462358692.71215796 libvdwxc nonlocal (4242.06152s) started
T01 << 1462358699.39356995 libvdwxc nonlocal (4248.74293s) stopped
T01 >> 1462358699.39363790 redistribute (696.34573s) started
T01 << 1462358700.04386592 redistribute (696.99596s) stopped
T01 << 1462358700.04502010 van der Waals (6441.55930s) stopped
T01 << 1462358700.22492695 XC 3D grid (6672.94692s) stopped
T01 >> 1462358700.22497606 Poisson (1343.27699s) started
T01 << 1462358702.57744408 Poisson (1345.62946s) stopped
T01 >> 1462358702.57751203 Hartree integrate/restrict (52.82783s) started
T01 << 1462358702.59657001 Hartree integrate/restrict (52.84689s) stopped
T01 >> 1462358702.59665608 Hartree integrate/restrict (52.84695s) started
T01 << 1462358702.65696907 Hartree integrate/restrict (52.90726s) stopped
T01 >> 1462358702.67652106 Atomic (4094.94142s) started
T01 >> 1462358702.68674397 XC Correction (4086.48496s) started
T01 << 1462358708.91084599 XC Correction (4092.70906s) stopped
T01 << 1462358708.91382194 Atomic (4101.17872s) stopped
T01 >> 1462358708.91392207 Communicate (3214.18931s) started
T01 << 1462358714.24448705 Communicate (3219.51987s) stopped
T01 << 1462358714.24451089 Hamiltonian (15415.30632s) stopped
T01 >> 1462358714.24457693 LCAO eigensolver (5556.72156s) started
T01 >> 1462358714.24458909 Potential matrix (179.74052s) started
T01 << 1462358714.51346207 Potential matrix (180.00939s) stopped
T01 >> 1462358714.51352906 DistributedAtomicCorrection (925.00561s) started
T01 << 1462358715.83897996 DistributedAtomicCorrection (926.33106s) stopped
T01 >> 1462358715.83902907 Distribute overlap matrix (810.87710s) started
T01 >> 1462358715.83905005 blocked summation (769.15456s) started
T01 << 1462358717.05165911 blocked summation (770.36717s) stopped
T01 >> 1462358717.05320907 Scalapack redistribute (40.61313s) started
T01 << 1462358717.11578608 Scalapack redistribute (40.67571s) stopped
T01 << 1462358717.11586905 Distribute overlap matrix (812.15394s) stopped
T01 >> 1462358717.11646008 Blacs Orbital Layouts (1906.55103s) started
T01 >> 1462358717.11867309 General diagonalize (1868.24004s) started
T01 << 1462358719.84499407 General diagonalize (1870.96636s) stopped
T01 >> 1462358719.84505796 Redistribute coefs (2.10143s) started
T01 << 1462358719.84784007 Redistribute coefs (2.10421s) stopped
T01 >> 1462358719.84792805 Send coefs to domains (35.10652s) started
T01 << 1462358719.90055108 Send coefs to domains (35.15914s) stopped
T01 << 1462358719.90118194 Blacs Orbital Layouts (1909.33575s) stopped
T01 >> 1462358719.90123892 Calculate projections (1733.95596s) started
T01 << 1462358722.33978200 Calculate projections (1736.39451s) stopped
T01 << 1462358722.33986592 LCAO eigensolver (5564.81685s) stopped
T01 >> 1462358722.34062505 Density (1368.90898s) started
T01 >> 1462358722.34063792 Pseudo density (1133.28017s) started
T01 >> 1462358722.34116197 Calculate density matrix (1018.54782s) started
T01 << 1462358723.96192098 Calculate density matrix (1020.16858s) stopped
T01 >> 1462358723.96200800 Construct density (113.11268s) started
T01 << 1462358724.14496303 Construct density (113.29564s) stopped
T01 >> 1462358724.14639211 Symmetrize density (0.02859s) started
T01 << 1462358724.14642501 Symmetrize density (0.02863s) stopped
T01 << 1462358724.14687395 Pseudo density (1135.08641s) stopped
T01 >> 1462358724.14689302 Atomic density matrices (156.45444s) started
T01 << 1462358724.39413595 Atomic density matrices (156.70168s) stopped
T01 >> 1462358724.39417195 Multipole moments (2.55427s) started
T01 << 1462358724.39826894 Multipole moments (2.55837s) stopped
T01 >> 1462358724.39829111 Normalize (0.70041s) started
T01 << 1462358724.39942288 Normalize (0.70154s) stopped
T01 >> 1462358724.39945698 Mix (75.87583s) started
T01 << 1462358724.51761508 Mix (75.99399s) stopped
T01 << 1462358724.51770997 Density (1371.08607s) stopped
T01 >> 1462358724.51783299 Hamiltonian (15415.30634s) started
T01 >> 1462358724.51785493 vbar (9.31671s) started
T01 << 1462358724.53237295 vbar (9.33123s) stopped
T01 >> 1462358724.53244591 XC 3D grid (6672.94696s) started
T01 >> 1462358724.70703411 van der Waals (6441.55933s) started
T01 >> 1462358724.74767399 semilocal (1446.72036s) started
T01 << 1462358726.94209790 semilocal (1448.91478s) stopped
T01 >> 1462358726.97587109 redistribute (696.99601s) started
T01 << 1462358727.37974501 redistribute (697.39988s) stopped
T01 >> 1462358727.37981510 libvdwxc nonlocal (4248.74298s) started
T01 << 1462358734.07109809 libvdwxc nonlocal (4255.43426s) stopped
T01 >> 1462358734.07118607 redistribute (697.39992s) started
T01 << 1462358734.72027898 redistribute (698.04901s) stopped
T01 << 1462358734.72143197 van der Waals (6451.57373s) stopped
T01 << 1462358734.90227103 XC 3D grid (6683.31678s) stopped
T01 >> 1462358734.90233397 Poisson (1345.62951s) started
T01 << 1462358737.25241494 Poisson (1347.97959s) stopped
T01 >> 1462358737.25254297 Hartree integrate/restrict (52.90730s) started
T01 << 1462358737.27142906 Hartree integrate/restrict (52.92618s) stopped
T01 >> 1462358737.27155209 Hartree integrate/restrict (52.92627s) started
T01 << 1462358737.33259201 Hartree integrate/restrict (52.98731s) stopped
T01 >> 1462358737.35630703 Atomic (4101.17874s) started
T01 >> 1462358737.36644602 XC Correction (4092.70908s) started
T01 << 1462358743.63924193 XC Correction (4098.98188s) stopped
T01 << 1462358743.64223003 Atomic (4107.46466s) stopped
T01 >> 1462358743.64232898 Communicate (3219.51989s) started
T01 << 1462358748.62875199 Communicate (3224.50631s) stopped
T01 << 1462358748.62877488 Hamiltonian (15439.41728s) stopped
T01 >> 1462358748.62884212 LCAO eigensolver (5564.81686s) started
T01 >> 1462358748.62885499 Potential matrix (180.00942s) started
T01 << 1462358748.89880896 Potential matrix (180.27938s) stopped
T01 >> 1462358748.89887404 DistributedAtomicCorrection (926.33109s) started
T01 << 1462358750.22886109 DistributedAtomicCorrection (927.66108s) stopped
T01 >> 1462358750.22890997 Distribute overlap matrix (812.15395s) started
T01 >> 1462358750.22893095 blocked summation (770.36721s) started
T01 << 1462358751.42639303 blocked summation (771.56467s) stopped
T01 >> 1462358751.42786598 Scalapack redistribute (40.67575s) started
T01 << 1462358751.48580790 Scalapack redistribute (40.73369s) stopped
T01 << 1462358751.48588991 Distribute overlap matrix (813.41093s) stopped
T01 >> 1462358751.48647189 Blacs Orbital Layouts (1909.33577s) started
T01 >> 1462358751.48787498 General diagonalize (1870.96640s) started
T01 << 1462358754.21033311 General diagonalize (1873.68886s) stopped
T01 >> 1462358754.21039796 Redistribute coefs (2.10425s) started
T01 << 1462358754.21404600 Redistribute coefs (2.10790s) stopped
T01 >> 1462358754.21409297 Send coefs to domains (35.15919s) started
T01 << 1462358754.26570606 Send coefs to domains (35.21080s) stopped
T01 << 1462358754.26603007 Blacs Orbital Layouts (1912.11533s) stopped
T01 >> 1462358754.26608801 Calculate projections (1736.39456s) started
T01 << 1462358756.70477200 Calculate projections (1738.83325s) stopped
T01 << 1462358756.70485497 LCAO eigensolver (5572.89287s) stopped
T01 >> 1462358756.70560694 Density (1371.08609s) started
T01 >> 1462358756.70562005 Pseudo density (1135.08642s) started
T01 >> 1462358756.70614004 Calculate density matrix (1020.16862s) started
T01 << 1462358758.32872009 Calculate density matrix (1021.79120s) stopped
T01 >> 1462358758.32880807 Construct density (113.29567s) started
T01 << 1462358758.51232004 Construct density (113.47918s) stopped
T01 >> 1462358758.51377511 Symmetrize density (0.02864s) started
T01 << 1462358758.51380801 Symmetrize density (0.02867s) stopped
T01 << 1462358758.51424503 Pseudo density (1136.89505s) stopped
T01 >> 1462358758.51426411 Atomic density matrices (156.70170s) started
T01 << 1462358758.76089096 Atomic density matrices (156.94833s) stopped
T01 >> 1462358758.76092792 Multipole moments (2.55838s) started
T01 << 1462358758.76501608 Multipole moments (2.56247s) stopped
T01 >> 1462358758.76503801 Normalize (0.70157s) started
T01 << 1462358758.76619101 Normalize (0.70272s) stopped
T01 >> 1462358758.76622605 Mix (75.99408s) started
T01 << 1462358758.88609505 Mix (76.11395s) stopped
T01 << 1462358758.88616490 Density (1373.26664s) stopped
T01 >> 1462358758.88628697 Hamiltonian (15439.41729s) started
T01 >> 1462358758.88630700 vbar (9.33127s) started
T01 << 1462358758.90099192 vbar (9.34595s) stopped
T01 >> 1462358758.90105605 XC 3D grid (6683.31683s) started
T01 >> 1462358759.08479500 van der Waals (6451.57377s) started
T01 >> 1462358759.12514901 semilocal (1448.91490s) started
T01 << 1462358761.35159206 semilocal (1451.14135s) stopped
T01 >> 1462358761.38122201 redistribute (698.04905s) started
T01 << 1462358761.76598501 redistribute (698.43382s) stopped
T01 >> 1462358761.76605606 libvdwxc nonlocal (4255.43432s) started
T01 << 1462358768.45810699 libvdwxc nonlocal (4262.12637s) stopped
T01 >> 1462358768.45816708 redistribute (698.43386s) started
T01 << 1462358769.12318897 redistribute (699.09888s) stopped
T01 << 1462358769.12490892 van der Waals (6461.61388s) stopped
T01 << 1462358769.29889703 XC 3D grid (6693.71467s) stopped
T01 >> 1462358769.29894209 Poisson (1347.97969s) started
T01 << 1462358771.65221810 Poisson (1350.33297s) stopped
T01 >> 1462358771.65230107 Hartree integrate/restrict (52.98735s) started
T01 << 1462358771.67156792 Hartree integrate/restrict (53.00662s) stopped
T01 >> 1462358771.67161393 Hartree integrate/restrict (53.00665s) started
T01 << 1462358771.73451805 Hartree integrate/restrict (53.06955s) stopped
T01 >> 1462358771.75711608 Atomic (4107.46467s) started
T01 >> 1462358771.76750112 XC Correction (4098.98190s) started
T01 << 1462358778.08555603 XC Correction (4105.29995s) stopped
T01 << 1462358778.08857012 Atomic (4113.79613s) stopped
T01 >> 1462358778.08867788 Communicate (3224.50633s) started
T01 << 1462358783.02965999 Communicate (3229.44731s) stopped
T01 << 1462358783.02968407 Hamiltonian (15463.56069s) stopped
T01 >> 1462358783.02974701 LCAO eigensolver (5572.89289s) started
T01 >> 1462358783.02976108 Potential matrix (180.27941s) started
T01 << 1462358783.29929900 Potential matrix (180.54895s) stopped
T01 >> 1462358783.29936600 DistributedAtomicCorrection (927.66111s) started
T01 << 1462358784.64958310 DistributedAtomicCorrection (929.01132s) stopped
T01 >> 1462358784.64963102 Distribute overlap matrix (813.41094s) started
T01 >> 1462358784.64965606 blocked summation (771.56471s) started
T01 << 1462358785.80813003 blocked summation (772.72318s) stopped
T01 >> 1462358785.80972004 Scalapack redistribute (40.73372s) started
T01 << 1462358785.86864209 Scalapack redistribute (40.79264s) stopped
T01 << 1462358785.86873388 Distribute overlap matrix (814.63005s) stopped
T01 >> 1462358785.86940503 Blacs Orbital Layouts (1912.11535s) started
T01 >> 1462358785.87118697 General diagonalize (1873.68890s) started
T01 << 1462358788.58402491 General diagonalize (1876.40174s) stopped
T01 >> 1462358788.58408904 Redistribute coefs (2.10793s) started
T01 << 1462358788.58770490 Redistribute coefs (2.11155s) stopped
T01 >> 1462358788.58775210 Send coefs to domains (35.21085s) started
T01 << 1462358788.63907790 Send coefs to domains (35.26217s) stopped
T01 << 1462358788.63940692 Blacs Orbital Layouts (1914.88535s) stopped
T01 >> 1462358788.63946009 Calculate projections (1738.83331s) started
T01 << 1462358791.07823801 Calculate projections (1741.27208s) stopped
T01 << 1462358791.07851696 LCAO eigensolver (5580.94166s) stopped
T01 >> 1462358791.07924795 Density (1373.26666s) started
T01 >> 1462358791.07926106 Pseudo density (1136.89506s) started
T01 >> 1462358791.07978296 Calculate density matrix (1021.79124s) started
T01 << 1462358792.69999790 Calculate density matrix (1023.41146s) stopped
T01 >> 1462358792.70008898 Construct density (113.47921s) started
T01 << 1462358792.88320899 Construct density (113.66233s) stopped
T01 >> 1462358792.88549304 Symmetrize density (0.02868s) started
T01 << 1462358792.88552594 Symmetrize density (0.02872s) stopped
T01 << 1462358792.88596892 Pseudo density (1138.70177s) stopped
T01 >> 1462358792.88598800 Atomic density matrices (156.94835s) started
T01 << 1462358793.13182211 Atomic density matrices (157.19419s) stopped
T01 >> 1462358793.13185811 Multipole moments (2.56249s) started
T01 << 1462358793.13594294 Multipole moments (2.56657s) stopped
T01 >> 1462358793.13596511 Normalize (0.70275s) started
T01 << 1462358793.13710093 Normalize (0.70388s) stopped
T01 >> 1462358793.13713598 Mix (76.11402s) started
T01 << 1462358793.26021409 Mix (76.23709s) stopped
T01 << 1462358793.26034307 Density (1375.44776s) stopped
T01 >> 1462358793.26049304 Hamiltonian (15463.56070s) started
T01 >> 1462358793.26051497 vbar (9.34599s) started
T01 << 1462358793.27492499 vbar (9.36040s) stopped
T01 >> 1462358793.27499390 XC 3D grid (6693.71471s) started
T01 >> 1462358793.45792794 van der Waals (6461.61401s) started
T01 >> 1462358793.49829888 semilocal (1451.14142s) started
T01 << 1462358795.70895100 semilocal (1453.35208s) stopped
T01 >> 1462358795.73916411 redistribute (699.09898s) started
T01 << 1462358796.14383197 redistribute (699.50365s) stopped
T01 >> 1462358796.14390206 libvdwxc nonlocal (4262.12641s) started
T01 << 1462358802.81385803 libvdwxc nonlocal (4268.79636s) stopped
T01 >> 1462358802.81392193 redistribute (699.50368s) started
T01 << 1462358803.48468590 redistribute (700.17445s) stopped
T01 << 1462358803.48622990 van der Waals (6471.64231s) stopped
T01 << 1462358803.65807009 XC 3D grid (6704.09778s) stopped
T01 >> 1462358803.65811706 Poisson (1350.33303s) started
T01 << 1462358806.01543498 Poisson (1352.69035s) stopped
T01 >> 1462358806.01550698 Hartree integrate/restrict (53.06959s) started
T01 << 1462358806.03458691 Hartree integrate/restrict (53.08867s) stopped
T01 >> 1462358806.03464007 Hartree integrate/restrict (53.08870s) started
T01 << 1462358806.09683990 Hartree integrate/restrict (53.15090s) stopped
T01 >> 1462358806.11511493 Atomic (4113.79615s) started
T01 >> 1462358806.12557411 XC Correction (4105.29998s) started
T01 << 1462358812.44179201 XC Correction (4111.61620s) stopped
T01 << 1462358812.44480300 Atomic (4120.12583s) stopped
T01 >> 1462358812.44490409 Communicate (3229.44733s) started
T01 << 1462358817.37581396 Communicate (3234.37824s) stopped
T01 << 1462358817.37583804 Hamiltonian (15487.67604s) stopped
T01 >> 1462358817.37590194 LCAO eigensolver (5580.94167s) started
T01 >> 1462358817.37591505 Potential matrix (180.54898s) started
T01 << 1462358817.64512897 Potential matrix (180.81819s) stopped
T01 >> 1462358817.64519405 DistributedAtomicCorrection (929.01135s) started
T01 << 1462358818.97052789 DistributedAtomicCorrection (930.33668s) stopped
T01 >> 1462358818.97057700 Distribute overlap matrix (814.63006s) started
T01 >> 1462358818.97059703 blocked summation (772.72322s) started
T01 << 1462358820.17539406 blocked summation (773.92802s) stopped
T01 >> 1462358820.17765498 Scalapack redistribute (40.79268s) started
T01 << 1462358820.23568106 Scalapack redistribute (40.85071s) stopped
T01 << 1462358820.23577189 Distribute overlap matrix (815.89525s) stopped
T01 >> 1462358820.23638606 Blacs Orbital Layouts (1914.88537s) started
T01 >> 1462358820.23799109 General diagonalize (1876.40177s) started
T01 << 1462358822.96787095 General diagonalize (1879.13165s) stopped
T01 >> 1462358822.96793699 Redistribute coefs (2.11159s) started
T01 << 1462358822.97145700 Redistribute coefs (2.11511s) stopped
T01 >> 1462358822.97150612 Send coefs to domains (35.26221s) started
T01 << 1462358823.02298403 Send coefs to domains (35.31369s) stopped
T01 << 1462358823.02333808 Blacs Orbital Layouts (1917.67232s) stopped
T01 >> 1462358823.02339506 Calculate projections (1741.27214s) started
T01 << 1462358825.46182394 Calculate projections (1743.71057s) stopped
T01 << 1462358825.46225595 LCAO eigensolver (5589.02803s) stopped
T01 >> 1462358825.46298909 Density (1375.44777s) started
T01 >> 1462358825.46300197 Pseudo density (1138.70178s) started
T01 >> 1462358825.46352601 Calculate density matrix (1023.41150s) started
T01 << 1462358827.08201408 Calculate density matrix (1025.02999s) stopped
T01 >> 1462358827.08210301 Construct density (113.66235s) started
T01 << 1462358827.26512289 Construct density (113.84537s) stopped
T01 >> 1462358827.26743007 Symmetrize density (0.02873s) started
T01 << 1462358827.26746297 Symmetrize density (0.02876s) stopped
T01 << 1462358827.26791096 Pseudo density (1140.50669s) stopped
T01 >> 1462358827.26793003 Atomic density matrices (157.19421s) started
T01 << 1462358827.51567793 Atomic density matrices (157.44196s) stopped
T01 >> 1462358827.51571393 Multipole moments (2.56659s) started
T01 << 1462358827.51982307 Multipole moments (2.57069s) stopped
T01 >> 1462358827.51984501 Normalize (0.70391s) started
T01 << 1462358827.52099109 Normalize (0.70505s) stopped
T01 >> 1462358827.52102590 Mix (76.23722s) started
T01 << 1462358827.64382410 Mix (76.36002s) stopped
T01 << 1462358827.64389706 Density (1377.62868s) stopped
T01 >> 1462358827.64401507 Hamiltonian (15487.67606s) started
T01 >> 1462358827.64403605 vbar (9.36044s) started
T01 << 1462358827.65864897 vbar (9.37505s) stopped
T01 >> 1462358827.65871310 XC 3D grid (6704.09782s) started
T01 >> 1462358827.84163499 van der Waals (6471.64236s) started
T01 >> 1462358827.88235402 semilocal (1453.35213s) started
T01 << 1462358830.10650706 semilocal (1455.57629s) stopped
T01 >> 1462358830.13722205 redistribute (700.17452s) started
T01 << 1462358830.52776408 redistribute (700.56506s) stopped
T01 >> 1462358830.52783489 libvdwxc nonlocal (4268.79640s) started
T01 << 1462358837.22130704 libvdwxc nonlocal (4275.48988s) stopped
T01 >> 1462358837.22136497 redistribute (700.56510s) started
T01 << 1462358837.89330006 redistribute (701.23703s) stopped
T01 << 1462358837.89495993 van der Waals (6481.69569s) stopped
T01 << 1462358838.06884003 XC 3D grid (6714.50795s) stopped
T01 >> 1462358838.06889296 Poisson (1352.69040s) started
T01 << 1462358840.42388606 Poisson (1355.04539s) stopped
T01 >> 1462358840.42398596 Hartree integrate/restrict (53.15094s) started
T01 << 1462358840.44268799 Hartree integrate/restrict (53.16964s) stopped
T01 >> 1462358840.44279790 Hartree integrate/restrict (53.16972s) started
T01 << 1462358840.50546503 Hartree integrate/restrict (53.23238s) stopped
T01 >> 1462358840.52848792 Atomic (4120.12585s) started
T01 >> 1462358840.53892899 XC Correction (4111.61622s) started
T01 << 1462358846.82903004 XC Correction (4117.90632s) stopped
T01 << 1462358846.83204389 Atomic (4126.42941s) stopped
T01 >> 1462358846.83214808 Communicate (3234.37825s) started
T01 << 1462358851.75812101 Communicate (3239.30423s) stopped
T01 << 1462358851.75814509 Hamiltonian (15511.79019s) stopped
T01 >> 1462358851.75820994 LCAO eigensolver (5589.02805s) started
T01 >> 1462358851.75822306 Potential matrix (180.81823s) started
T01 << 1462358852.02923107 Potential matrix (181.08923s) stopped
T01 >> 1462358852.02929807 DistributedAtomicCorrection (930.33671s) started
T01 << 1462358853.35527396 DistributedAtomicCorrection (931.66269s) stopped
T01 >> 1462358853.35532308 Distribute overlap matrix (815.89527s) started
T01 >> 1462358853.35534406 blocked summation (773.92806s) started
T01 << 1462358854.51605606 blocked summation (775.08877s) stopped
T01 >> 1462358854.51738906 Scalapack redistribute (40.85075s) started
T01 << 1462358854.57585001 Scalapack redistribute (40.90921s) stopped
T01 << 1462358854.57593799 Distribute overlap matrix (817.11588s) stopped
T01 >> 1462358854.57652497 Blacs Orbital Layouts (1917.67234s) started
T01 >> 1462358854.57870102 General diagonalize (1879.13169s) started
T01 << 1462358857.29277611 General diagonalize (1881.84577s) stopped
T01 >> 1462358857.29284191 Redistribute coefs (2.11514s) started
T01 << 1462358857.29599595 Redistribute coefs (2.11830s) stopped
T01 >> 1462358857.29604411 Send coefs to domains (35.31373s) started
T01 << 1462358857.34786701 Send coefs to domains (35.36556s) stopped
T01 << 1462358857.34842801 Blacs Orbital Layouts (1920.44424s) stopped
T01 >> 1462358857.34847903 Calculate projections (1743.71063s) started
T01 << 1462358859.78685093 Calculate projections (1746.14900s) stopped
T01 << 1462358859.78712606 LCAO eigensolver (5597.05696s) stopped
T01 >> 1462358859.78783393 Density (1377.62870s) started
T01 >> 1462358859.78784704 Pseudo density (1140.50671s) started
T01 >> 1462358859.78836298 Calculate density matrix (1025.03003s) started
T01 << 1462358861.41312408 Calculate density matrix (1026.65479s) stopped
T01 >> 1462358861.41320992 Construct density (113.84540s) started
T01 << 1462358861.59680104 Construct density (114.02899s) stopped
T01 >> 1462358861.59907603 Symmetrize density (0.02877s) started
T01 << 1462358861.59910989 Symmetrize density (0.02881s) stopped
T01 << 1462358861.59954906 Pseudo density (1142.31841s) stopped
T01 >> 1462358861.59956908 Atomic density matrices (157.44199s) started
T01 << 1462358861.84563398 Atomic density matrices (157.68805s) stopped
T01 >> 1462358861.84567499 Multipole moments (2.57071s) started
T01 << 1462358861.84980106 Multipole moments (2.57484s) stopped
T01 >> 1462358861.84982300 Normalize (0.70508s) started
T01 << 1462358861.85095501 Normalize (0.70621s) stopped
T01 >> 1462358861.85099006 Mix (76.36009s) started
T01 << 1462358861.97241497 Mix (76.48151s) stopped
T01 << 1462358861.97251511 Density (1379.81338s) stopped
T01 >> 1462358861.97264910 Hamiltonian (15511.79021s) started
T01 >> 1462358861.97266698 vbar (9.37508s) started
T01 << 1462358861.98778200 vbar (9.39020s) stopped
T01 >> 1462358861.98784590 XC 3D grid (6714.50798s) started
T01 >> 1462358862.17240810 van der Waals (6481.69578s) started
T01 >> 1462358862.21229792 semilocal (1455.57634s) started
T01 << 1462358864.45536900 semilocal (1457.81941s) stopped
T01 >> 1462358864.48623705 redistribute (701.23709s) started
T01 << 1462358864.85781908 redistribute (701.60867s) stopped
T01 >> 1462358864.85788989 libvdwxc nonlocal (4275.48991s) started
T01 << 1462358871.52785397 libvdwxc nonlocal (4282.15988s) stopped
T01 >> 1462358871.52793288 redistribute (701.60871s) started
T01 << 1462358872.19606400 redistribute (702.27684s) stopped
T01 << 1462358872.19758606 van der Waals (6491.72096s) stopped
T01 << 1462358872.36966205 XC 3D grid (6724.88980s) stopped
T01 >> 1462358872.36971211 Poisson (1355.04547s) started
T01 << 1462358874.13772702 Poisson (1356.81349s) stopped
T01 >> 1462358874.13779902 Hartree integrate/restrict (53.23241s) started
T01 << 1462358874.15660191 Hartree integrate/restrict (53.25122s) stopped
T01 >> 1462358874.15666008 Hartree integrate/restrict (53.25125s) started
T01 << 1462358874.21936107 Hartree integrate/restrict (53.31396s) stopped
T01 >> 1462358874.24150705 Atomic (4126.42942s) started
T01 >> 1462358874.25196695 XC Correction (4117.90634s) started
T01 << 1462358880.56679201 XC Correction (4124.22117s) stopped
T01 << 1462358880.56979990 Atomic (4132.75772s) stopped
T01 >> 1462358880.56990099 Communicate (3239.30424s) started
T01 << 1462358885.51742697 Communicate (3244.25177s) stopped
T01 << 1462358885.51745009 Hamiltonian (15535.33501s) stopped
T01 >> 1462358885.51753902 LCAO eigensolver (5597.05698s) started
T01 >> 1462358885.51755190 Potential matrix (181.08927s) started
T01 << 1462358885.78644300 Potential matrix (181.35816s) stopped
T01 >> 1462358885.78650904 DistributedAtomicCorrection (931.66271s) started
T01 << 1462358887.12530994 DistributedAtomicCorrection (933.00151s) stopped
T01 >> 1462358887.12535906 Distribute overlap matrix (817.11589s) started
T01 >> 1462358887.12538004 blocked summation (775.08881s) started
T01 << 1462358888.27284503 blocked summation (776.23627s) stopped
T01 >> 1462358888.27448106 Scalapack redistribute (40.90924s) started
T01 << 1462358888.33411908 Scalapack redistribute (40.96888s) stopped
T01 << 1462358888.33420897 Distribute overlap matrix (818.32474s) stopped
T01 >> 1462358888.33482695 Blacs Orbital Layouts (1920.44426s) started
T01 >> 1462358888.33631802 General diagonalize (1881.84581s) started
T01 << 1462358891.06023502 General diagonalize (1884.56972s) stopped
T01 >> 1462358891.06029892 Redistribute coefs (2.11834s) started
T01 << 1462358891.06401300 Redistribute coefs (2.12205s) stopped
T01 >> 1462358891.06406093 Send coefs to domains (35.36560s) started
T01 << 1462358891.11503696 Send coefs to domains (35.41658s) stopped
T01 << 1462358891.11538696 Blacs Orbital Layouts (1923.22482s) stopped
T01 >> 1462358891.11544299 Calculate projections (1746.14906s) started
T01 << 1462358893.55393791 Calculate projections (1748.58755s) stopped
T01 << 1462358893.55421400 LCAO eigensolver (5605.09366s) stopped
T01 >> 1462358893.55494094 Density (1379.81340s) started
T01 >> 1462358893.55495405 Pseudo density (1142.31842s) started
T01 >> 1462358893.55547309 Calculate density matrix (1026.65483s) started
T01 << 1462358895.17404389 Calculate density matrix (1028.27340s) stopped
T01 >> 1462358895.17413211 Construct density (114.02902s) started
T01 << 1462358895.35725093 Construct density (114.21214s) stopped
T01 >> 1462358895.35954595 Symmetrize density (0.02882s) started
T01 << 1462358895.35957909 Symmetrize density (0.02885s) stopped
T01 << 1462358895.36003399 Pseudo density (1144.12350s) stopped
T01 >> 1462358895.36005402 Atomic density matrices (157.68808s) started
T01 << 1462358895.60606599 Atomic density matrices (157.93409s) stopped
T01 >> 1462358895.60610294 Multipole moments (2.57485s) started
T01 << 1462358895.61022091 Multipole moments (2.57897s) stopped
T01 >> 1462358895.61024308 Normalize (0.70623s) started
T01 << 1462358895.61138201 Normalize (0.70737s) stopped
T01 >> 1462358895.61141706 Mix (76.48161s) started
T01 << 1462358895.73310089 Mix (76.60330s) stopped
T01 << 1462358895.73316097 Density (1381.99162s) stopped
T01 >> 1462358895.73329306 Hamiltonian (15535.33504s) started
T01 >> 1462358895.73331404 vbar (9.39023s) started
T01 << 1462358895.74793410 vbar (9.40485s) stopped
T01 >> 1462358895.74799991 XC 3D grid (6724.88984s) started
T01 >> 1462358895.92726111 van der Waals (6491.72105s) started
T01 >> 1462358895.96947002 semilocal (1457.81949s) started
T01 << 1462358898.19050789 semilocal (1460.04052s) stopped
T01 >> 1462358898.22148299 redistribute (702.27693s) started
T01 << 1462358898.60232496 redistribute (702.65777s) stopped
T01 >> 1462358898.60239697 libvdwxc nonlocal (4282.15993s) started
T01 << 1462358905.27950406 libvdwxc nonlocal (4288.83704s) stopped
T01 >> 1462358905.27958703 redistribute (702.65781s) started
T01 << 1462358905.95406699 redistribute (703.33229s) stopped
T01 << 1462358905.95587707 van der Waals (6501.74966s) stopped
T01 << 1462358906.13038111 XC 3D grid (6735.27222s) stopped
T01 >> 1462358906.13043094 Poisson (1356.81354s) started
T01 << 1462358907.90128303 Poisson (1358.58439s) stopped
T01 >> 1462358907.90137005 Hartree integrate/restrict (53.31399s) started
T01 << 1462358907.92051697 Hartree integrate/restrict (53.33314s) stopped
T01 >> 1462358907.92056894 Hartree integrate/restrict (53.33317s) started
T01 << 1462358907.98236609 Hartree integrate/restrict (53.39497s) stopped
T01 >> 1462358908.00064802 Atomic (4132.75773s) started
T01 >> 1462358908.01107097 XC Correction (4124.22119s) started
T01 << 1462358914.32762790 XC Correction (4130.53775s) stopped
T01 << 1462358914.33061099 Atomic (4139.08770s) stopped
T01 >> 1462358914.33071589 Communicate (3244.25178s) started
T01 << 1462358919.29302192 Communicate (3249.21409s) stopped
T01 << 1462358919.29304600 Hamiltonian (15558.89479s) stopped
T01 >> 1462358919.29310989 LCAO eigensolver (5605.09367s) started
T01 >> 1462358919.29312301 Potential matrix (181.35819s) started
T01 << 1462358919.56224203 Potential matrix (181.62731s) stopped
T01 >> 1462358919.56230903 DistributedAtomicCorrection (933.00154s) started
T01 << 1462358920.90529990 DistributedAtomicCorrection (934.34453s) stopped
T01 >> 1462358920.90534902 Distribute overlap matrix (818.32476s) started
T01 >> 1462358920.90537000 blocked summation (776.23631s) started
T01 << 1462358922.04283094 blocked summation (777.37377s) stopped
T01 >> 1462358922.04507709 Scalapack redistribute (40.96892s) started
T01 << 1462358922.10298204 Scalapack redistribute (41.02682s) stopped
T01 << 1462358922.10308790 Distribute overlap matrix (819.52249s) stopped
T01 >> 1462358922.10373306 Blacs Orbital Layouts (1923.22484s) started
T01 >> 1462358922.10530901 General diagonalize (1884.56976s) started
T01 << 1462358924.84714293 General diagonalize (1887.31159s) stopped
T01 >> 1462358924.84720993 Redistribute coefs (2.12209s) started
T01 << 1462358924.85080600 Redistribute coefs (2.12568s) stopped
T01 >> 1462358924.85085201 Send coefs to domains (35.41662s) started
T01 << 1462358924.90211010 Send coefs to domains (35.46788s) stopped
T01 << 1462358924.90248489 Blacs Orbital Layouts (1926.02359s) stopped
T01 >> 1462358924.90253901 Calculate projections (1748.58761s) started
T01 << 1462358927.34099698 Calculate projections (1751.02607s) stopped
T01 << 1462358927.34143090 LCAO eigensolver (5613.14199s) stopped
T01 >> 1462358927.34215999 Density (1381.99163s) started
T01 >> 1462358927.34217310 Pseudo density (1144.12351s) started
T01 >> 1462358927.34269810 Calculate density matrix (1028.27344s) started
T01 << 1462358928.96341491 Calculate density matrix (1029.89416s) stopped
T01 >> 1462358928.96350098 Construct density (114.21217s) started
T01 << 1462358929.14653397 Construct density (114.39520s) stopped
T01 >> 1462358929.14882302 Symmetrize density (0.02886s) started
T01 << 1462358929.14885712 Symmetrize density (0.02890s) stopped
T01 << 1462358929.14929199 Pseudo density (1145.93063s) stopped
T01 >> 1462358929.14931202 Atomic density matrices (157.93411s) started
T01 << 1462358929.39472890 Atomic density matrices (158.17953s) stopped
T01 >> 1462358929.39476609 Multipole moments (2.57898s) started
T01 << 1462358929.39890790 Multipole moments (2.58313s) stopped
T01 >> 1462358929.39892912 Normalize (0.70740s) started
T01 << 1462358929.40007305 Normalize (0.70854s) stopped
T01 >> 1462358929.40010691 Mix (76.60335s) started
T01 << 1462358929.52295589 Mix (76.72620s) stopped
T01 << 1462358929.52305293 Density (1384.17253s) stopped
T01 >> 1462358929.52318907 Hamiltonian (15558.89481s) started
T01 >> 1462358929.52321100 vbar (9.40489s) started
T01 << 1462358929.53761196 vbar (9.41929s) stopped
T01 >> 1462358929.53769207 XC 3D grid (6735.27226s) started
T01 >> 1462358929.71832705 van der Waals (6501.74976s) started
T01 >> 1462358929.75888205 semilocal (1460.04058s) started
T01 << 1462358931.98709893 semilocal (1462.26879s) stopped
T01 >> 1462358932.01828694 redistribute (703.33240s) started
T01 << 1462358932.40807700 redistribute (703.72219s) stopped
T01 >> 1462358932.40814805 libvdwxc nonlocal (4288.83709s) started
T01 << 1462358939.08003211 libvdwxc nonlocal (4295.50898s) stopped
T01 >> 1462358939.08011293 redistribute (703.72223s) started
T01 << 1462358939.74747992 redistribute (704.38960s) stopped
T01 << 1462358939.74941611 van der Waals (6511.78084s) stopped
T01 << 1462358939.91980410 XC 3D grid (6745.65437s) stopped
T01 >> 1462358939.91986489 Poisson (1358.58446s) started
T01 << 1462358941.69090390 Poisson (1360.35550s) stopped
T01 >> 1462358941.69103098 Hartree integrate/restrict (53.39500s) started
T01 << 1462358941.70987391 Hartree integrate/restrict (53.41385s) stopped
T01 >> 1462358941.71000004 Hartree integrate/restrict (53.41394s) started
T01 << 1462358941.77198410 Hartree integrate/restrict (53.47592s) stopped
T01 >> 1462358941.79607797 Atomic (4139.08771s) started
T01 >> 1462358941.80641294 XC Correction (4130.53778s) started
T01 << 1462358948.11271501 XC Correction (4136.84408s) stopped
T01 << 1462358948.11570001 Atomic (4145.40734s) stopped
T01 >> 1462358948.11579990 Communicate (3249.21410s) started
T01 << 1462358953.04725194 Communicate (3254.14556s) stopped
T01 << 1462358953.04727602 Hamiltonian (15582.41889s) stopped
T01 >> 1462358953.04733896 LCAO eigensolver (5613.14201s) started
T01 >> 1462358953.04735088 Potential matrix (181.62734s) started
T01 << 1462358953.31769300 Potential matrix (181.89769s) stopped
T01 >> 1462358953.31776810 DistributedAtomicCorrection (934.34456s) started
T01 << 1462358954.66161299 DistributedAtomicCorrection (935.68840s) stopped
T01 >> 1462358954.66166496 Distribute overlap matrix (819.52251s) started
T01 >> 1462358954.66168594 blocked summation (777.37381s) started
T01 << 1462358955.83580303 blocked summation (778.54793s) stopped
T01 >> 1462358955.83740807 Scalapack redistribute (41.02687s) started
T01 << 1462358955.89597988 Scalapack redistribute (41.08544s) stopped
T01 << 1462358955.89606810 Distribute overlap matrix (820.75691s) stopped
T01 >> 1462358955.89667201 Blacs Orbital Layouts (1926.02361s) started
T01 >> 1462358955.89884996 General diagonalize (1887.31163s) started
T01 << 1462358958.62724400 General diagonalize (1890.04002s) stopped
T01 >> 1462358958.62730908 Redistribute coefs (2.12572s) started
T01 << 1462358958.63024998 Redistribute coefs (2.12866s) stopped
T01 >> 1462358958.63029909 Send coefs to domains (35.46792s) started
T01 << 1462358958.68197489 Send coefs to domains (35.51960s) stopped
T01 << 1462358958.68253589 Blacs Orbital Layouts (1928.80947s) stopped
T01 >> 1462358958.68259406 Calculate projections (1751.02613s) started
T01 << 1462358961.12138700 Calculate projections (1753.46492s) stopped
T01 << 1462358961.12166595 LCAO eigensolver (5621.21634s) stopped
T01 >> 1462358961.12238002 Density (1384.17255s) started
T01 >> 1462358961.12239289 Pseudo density (1145.93065s) started
T01 >> 1462358961.12291193 Calculate density matrix (1029.89420s) started
T01 << 1462358962.74322701 Calculate density matrix (1031.51452s) stopped
T01 >> 1462358962.74330997 Construct density (114.39522s) started
T01 << 1462358962.92692590 Construct density (114.57884s) stopped
T01 >> 1462358962.92920804 Symmetrize density (0.02891s) started
T01 << 1462358962.92923999 Symmetrize density (0.02894s) stopped
T01 << 1462358962.92969203 Pseudo density (1147.73795s) stopped
T01 >> 1462358962.92971110 Atomic density matrices (158.17956s) started
T01 << 1462358963.17624402 Atomic density matrices (158.42609s) stopped
T01 >> 1462358963.17628002 Multipole moments (2.58314s) started
T01 << 1462358963.18041492 Multipole moments (2.58727s) stopped
T01 >> 1462358963.18043709 Normalize (0.70857s) started
T01 << 1462358963.18155503 Normalize (0.70969s) stopped
T01 >> 1462358963.18159199 Mix (76.72629s) started
T01 << 1462358963.30311990 Mix (76.84782s) stopped
T01 << 1462358963.30322194 Density (1386.35339s) stopped
T01 >> 1462358963.30335402 Hamiltonian (15582.41891s) started
T01 >> 1462358963.30337596 vbar (9.41934s) started
T01 << 1462358963.31873107 vbar (9.43470s) stopped
T01 >> 1462358963.31879210 XC 3D grid (6745.65441s) started
T01 >> 1462358963.49849606 van der Waals (6511.78097s) started
T01 >> 1462358963.53895593 semilocal (1462.26889s) started
T01 << 1462358965.76976109 semilocal (1464.49969s) stopped
T01 >> 1462358965.80099106 redistribute (704.38969s) started
T01 << 1462358966.17523694 redistribute (704.76394s) stopped
T01 >> 1462358966.17530799 libvdwxc nonlocal (4295.50903s) started
T01 << 1462358972.84942889 libvdwxc nonlocal (4302.18315s) stopped
T01 >> 1462358972.84948993 redistribute (704.76398s) started
T01 << 1462358973.51211190 redistribute (705.42660s) stopped
T01 << 1462358973.51390696 van der Waals (6521.79638s) stopped
T01 << 1462358973.68739295 XC 3D grid (6756.02302s) stopped
T01 >> 1462358973.68743801 Poisson (1360.35560s) started
T01 << 1462358975.45424604 Poisson (1362.12241s) stopped
T01 >> 1462358975.45432997 Hartree integrate/restrict (53.47595s) started
T01 << 1462358975.47339892 Hartree integrate/restrict (53.49502s) stopped
T01 >> 1462358975.47344708 Hartree integrate/restrict (53.49506s) started
T01 << 1462358975.53616190 Hartree integrate/restrict (53.55777s) stopped
T01 >> 1462358975.55922794 Atomic (4145.40735s) started
T01 >> 1462358975.56944704 XC Correction (4136.84410s) started
T01 << 1462358981.85396791 XC Correction (4143.12863s) stopped
T01 << 1462358981.85694003 Atomic (4151.70506s) stopped
T01 >> 1462358981.85703802 Communicate (3254.14557s) started
T01 << 1462358986.76397991 Communicate (3259.05251s) stopped
T01 << 1462358986.76400304 Hamiltonian (15605.87956s) stopped
T01 >> 1462358986.76406789 LCAO eigensolver (5621.21636s) started
T01 >> 1462358986.76408100 Potential matrix (181.89772s) started
T01 << 1462358987.03425097 Potential matrix (182.16789s) stopped
T01 >> 1462358987.03431892 DistributedAtomicCorrection (935.68843s) started
T01 << 1462358988.37203598 DistributedAtomicCorrection (937.02615s) stopped
T01 >> 1462358988.37208509 Distribute overlap matrix (820.75692s) started
T01 >> 1462358988.37210608 blocked summation (778.54797s) started
T01 << 1462358989.63019705 blocked summation (779.80606s) stopped
T01 >> 1462358989.63184309 Scalapack redistribute (41.08548s) started
T01 << 1462358989.69044209 Scalapack redistribute (41.14408s) stopped
T01 << 1462358989.69052792 Distribute overlap matrix (822.07537s) stopped
T01 >> 1462358989.69113111 Blacs Orbital Layouts (1928.80949s) started
T01 >> 1462358989.69260192 General diagonalize (1890.04006s) started
T01 << 1462358992.43355989 General diagonalize (1892.78102s) stopped
T01 >> 1462358992.43362689 Redistribute coefs (2.12870s) started
T01 << 1462358992.43720603 Redistribute coefs (2.13228s) stopped
T01 >> 1462358992.43725300 Send coefs to domains (35.51964s) started
T01 << 1462358992.48892212 Send coefs to domains (35.57131s) stopped
T01 << 1462358992.48927689 Blacs Orbital Layouts (1931.60764s) stopped
T01 >> 1462358992.48933506 Calculate projections (1753.46498s) started
T01 << 1462358994.92793202 Calculate projections (1755.90357s) stopped
T01 << 1462358994.92820907 LCAO eigensolver (5629.38050s) stopped
T01 >> 1462358994.92893410 Density (1386.35341s) started
T01 >> 1462358994.92894697 Pseudo density (1147.73796s) started
T01 >> 1462358994.92946100 Calculate density matrix (1031.51456s) started
T01 << 1462358996.55841708 Calculate density matrix (1033.14351s) stopped
T01 >> 1462358996.55850101 Construct density (114.57887s) started
T01 << 1462358996.74162102 Construct density (114.76199s) stopped
T01 >> 1462358996.74391294 Symmetrize density (0.02895s) started
T01 << 1462358996.74394608 Symmetrize density (0.02898s) stopped
T01 << 1462358996.74438190 Pseudo density (1149.55340s) stopped
T01 >> 1462358996.74440193 Atomic density matrices (158.42611s) started
T01 << 1462358996.99108410 Atomic density matrices (158.67280s) stopped
T01 >> 1462358996.99112010 Multipole moments (2.58729s) started
T01 << 1462358996.99532294 Multipole moments (2.59149s) stopped
T01 >> 1462358996.99534512 Normalize (0.70971s) started
T01 << 1462358996.99647403 Normalize (0.71084s) stopped
T01 >> 1462358996.99650788 Mix (76.84792s) started
T01 << 1462358997.11931491 Mix (76.97073s) stopped
T01 << 1462358997.11940002 Density (1388.54387s) stopped
T01 >> 1462358997.11952090 Hamiltonian (15605.87957s) started
T01 >> 1462358997.11954308 vbar (9.43473s) started
T01 << 1462358997.13425899 vbar (9.44944s) stopped
T01 >> 1462358997.13434196 XC 3D grid (6756.02305s) started
T01 >> 1462358997.31381011 van der Waals (6521.79646s) started
T01 >> 1462358997.35558391 semilocal (1464.49980s) started
T01 << 1462358999.57329512 semilocal (1466.71751s) stopped
T01 >> 1462358999.60441589 redistribute (705.42671s) started
T01 << 1462358999.99597406 redistribute (705.81827s) stopped
T01 >> 1462358999.99607110 libvdwxc nonlocal (4302.18319s) started
T01 << 1462359006.67248106 libvdwxc nonlocal (4308.85960s) stopped
T01 >> 1462359006.67256594 redistribute (705.81833s) started
T01 << 1462359007.35238004 redistribute (706.49815s) stopped
T01 << 1462359007.35401511 van der Waals (6531.83667s) stopped
T01 << 1462359007.52524900 XC 3D grid (6766.41396s) stopped
T01 >> 1462359007.52529907 Poisson (1362.12247s) started
T01 << 1462359009.29539990 Poisson (1363.89257s) stopped
T01 >> 1462359009.29547691 Hartree integrate/restrict (53.55781s) started
T01 << 1462359009.31446695 Hartree integrate/restrict (53.57680s) stopped
T01 >> 1462359009.31452203 Hartree integrate/restrict (53.57683s) started
T01 << 1462359009.38205004 Hartree integrate/restrict (53.64436s) stopped
T01 >> 1462359009.39880204 Atomic (4151.70508s) started
T01 >> 1462359009.40920496 XC Correction (4143.12865s) started
T01 << 1462359015.70285296 XC Correction (4149.42230s) stopped
T01 << 1462359015.70586300 Atomic (4158.01214s) stopped
T01 >> 1462359015.70596194 Communicate (3259.05253s) started
T01 << 1462359020.67558503 Communicate (3264.02215s) stopped
T01 << 1462359020.67560792 Hamiltonian (15629.43566s) stopped
T01 >> 1462359020.67567396 LCAO eigensolver (5629.38052s) started
T01 >> 1462359020.67568707 Potential matrix (182.16793s) started
T01 << 1462359020.94674397 Potential matrix (182.43899s) stopped
T01 >> 1462359020.94681001 DistributedAtomicCorrection (937.02618s) started
T01 << 1462359022.28730989 DistributedAtomicCorrection (938.36668s) stopped
T01 >> 1462359022.28735900 Distribute overlap matrix (822.07538s) started
T01 >> 1462359022.28737998 blocked summation (779.80610s) started
T01 << 1462359023.51933098 blocked summation (781.03805s) stopped
T01 >> 1462359023.52096605 Scalapack redistribute (41.14411s) started
T01 << 1462359023.57884312 Scalapack redistribute (41.20199s) stopped
T01 << 1462359023.57893491 Distribute overlap matrix (823.36695s) stopped
T01 >> 1462359023.57960701 Blacs Orbital Layouts (1931.60766s) started
T01 >> 1462359023.58135390 General diagonalize (1892.78106s) started
T01 << 1462359026.30360198 General diagonalize (1895.50331s) stopped
T01 >> 1462359026.30367208 Redistribute coefs (2.13231s) started
T01 << 1462359026.30729008 Redistribute coefs (2.13593s) stopped
T01 >> 1462359026.30733705 Send coefs to domains (35.57135s) started
T01 << 1462359026.35947800 Send coefs to domains (35.62349s) stopped
T01 << 1462359026.35982203 Blacs Orbital Layouts (1934.38787s) stopped
T01 >> 1462359026.35987306 Calculate projections (1755.90363s) started
T01 << 1462359028.79835296 Calculate projections (1758.34211s) stopped
T01 << 1462359028.79862690 LCAO eigensolver (5637.50347s) stopped
T01 >> 1462359028.79934406 Density (1388.54389s) started
T01 >> 1462359028.79935789 Pseudo density (1149.55341s) started
T01 >> 1462359028.79988790 Calculate density matrix (1033.14356s) started
T01 << 1462359030.42786407 Calculate density matrix (1034.77153s) stopped
T01 >> 1462359030.42794704 Construct density (114.76202s) started
T01 << 1462359030.61162806 Construct density (114.94570s) stopped
T01 >> 1462359030.61392903 Symmetrize density (0.02900s) started
T01 << 1462359030.61396194 Symmetrize density (0.02903s) stopped
T01 << 1462359030.61439610 Pseudo density (1151.36845s) stopped
T01 >> 1462359030.61441493 Atomic density matrices (158.67282s) started
T01 << 1462359030.86214304 Atomic density matrices (158.92055s) stopped
T01 >> 1462359030.86217904 Multipole moments (2.59151s) started
T01 << 1462359030.86638403 Multipole moments (2.59571s) stopped
T01 >> 1462359030.86640596 Normalize (0.71087s) started
T01 << 1462359030.86755490 Normalize (0.71201s) stopped
T01 >> 1462359030.86758900 Mix (76.97081s) started
T01 << 1462359030.98900890 Mix (77.09223s) stopped
T01 << 1462359030.98910499 Density (1390.73365s) stopped
T01 >> 1462359030.98923802 Hamiltonian (15629.43567s) started
T01 >> 1462359030.98925805 vbar (9.44949s) started
T01 << 1462359031.00436711 vbar (9.46460s) stopped
T01 >> 1462359031.00443292 XC 3D grid (6766.41399s) started
T01 >> 1462359031.18169999 van der Waals (6531.83674s) started
T01 >> 1462359031.22200704 semilocal (1466.71763s) started
T01 << 1462359033.42528105 semilocal (1468.92090s) stopped
T01 >> 1462359033.45709991 redistribute (706.49821s) started
T01 << 1462359033.84947801 redistribute (706.89059s) stopped
T01 >> 1462359033.84954906 libvdwxc nonlocal (4308.85966s) started
T01 << 1462359040.54310489 libvdwxc nonlocal (4315.55322s) stopped
T01 >> 1462359040.54316592 redistribute (706.89062s) started
T01 << 1462359041.21268606 redistribute (707.56015s) stopped
T01 << 1462359041.21407700 van der Waals (6541.86912s) stopped
T01 << 1462359041.38528609 XC 3D grid (6776.79485s) stopped
T01 >> 1462359041.38534904 Poisson (1363.89263s) started
T01 << 1462359042.57902002 Poisson (1365.08630s) stopped
T01 >> 1462359042.57911897 Hartree integrate/restrict (53.64439s) started
T01 << 1462359042.59784102 Hartree integrate/restrict (53.66312s) stopped
T01 >> 1462359042.59796810 Hartree integrate/restrict (53.66321s) started
T01 << 1462359042.66066790 Hartree integrate/restrict (53.72591s) stopped
T01 >> 1462359042.68396211 Atomic (4158.01216s) started
T01 >> 1462359042.69444704 XC Correction (4149.42232s) started
T01 << 1462359048.98709798 XC Correction (4155.71497s) stopped
T01 << 1462359048.99008989 Atomic (4164.31829s) stopped
T01 >> 1462359048.99018908 Communicate (3264.02217s) started
T01 << 1462359053.94134998 Communicate (3268.97333s) stopped
T01 << 1462359053.94137311 Hamiltonian (15652.38780s) stopped
T01 >> 1462359053.94143701 LCAO eigensolver (5637.50349s) started
T01 >> 1462359053.94145012 Potential matrix (182.43902s) started
T01 << 1462359054.21203399 Potential matrix (182.70960s) stopped
T01 >> 1462359054.21210098 DistributedAtomicCorrection (938.36670s) started
T01 << 1462359055.55484295 DistributedAtomicCorrection (939.70945s) stopped
T01 >> 1462359055.55489111 Distribute overlap matrix (823.36697s) started
T01 >> 1462359055.55491209 blocked summation (781.03809s) started
T01 << 1462359056.77979708 blocked summation (782.26297s) stopped
T01 >> 1462359056.78125501 Scalapack redistribute (41.20202s) started
T01 << 1462359056.84006906 Scalapack redistribute (41.26084s) stopped
T01 << 1462359056.84015894 Distribute overlap matrix (824.65223s) stopped
T01 >> 1462359056.84075499 Blacs Orbital Layouts (1934.38789s) started
T01 >> 1462359056.84291506 General diagonalize (1895.50335s) started
T01 << 1462359059.61136198 General diagonalize (1898.27179s) stopped
T01 >> 1462359059.61142802 Redistribute coefs (2.13597s) started
T01 << 1462359059.61451888 Redistribute coefs (2.13906s) stopped
T01 >> 1462359059.61456704 Send coefs to domains (35.62354s) started
T01 << 1462359059.66648602 Send coefs to domains (35.67546s) stopped
T01 << 1462359059.66702509 Blacs Orbital Layouts (1937.21416s) stopped
T01 >> 1462359059.66707897 Calculate projections (1758.34217s) started
T01 << 1462359062.10549688 Calculate projections (1760.78059s) stopped
T01 << 1462359062.10577607 LCAO eigensolver (5645.66783s) stopped
T01 << 1462359062.10648608 SCF-cycle (22689.37708s) stopped
T01 >> 1462359063.03306007 Force calculation (1304.71214s) started
T01 >> 1462359063.03312397 LCAO forces (808.22743s) started
T01 >> 1462359063.03347707 Initial (0.00096s) started
T01 << 1462359063.03348804 Initial (0.00097s) stopped
T01 >> 1462359063.03783202 Get density matrix (157.94323s) started
T01 << 1462359063.64495611 Get density matrix (158.55036s) stopped
T01 >> 1462359063.64503407 Potential (58.10422s) started
T01 << 1462359065.08628011 Potential (59.54546s) stopped
T01 >> 1462359065.08633208 Get density matrix (158.55040s) started
T01 << 1462359068.34925699 Get density matrix (161.81332s) stopped
T01 >> 1462359068.34939504 Prepare TCI loop (79.08957s) started
T01 >> 1462359068.34987807 Get neighbors (74.01987s) started
T01 << 1462359070.19169307 Get neighbors (75.86169s) stopped
T01 >> 1462359070.19191003 broadcast dH (5.04019s) started
T01 << 1462359070.20225501 broadcast dH (5.05054s) stopped
T01 << 1462359070.20230007 Prepare TCI loop (80.94248s) stopped
T01 >> 1462359070.20234799 Not so complicated loop (113.55536s) started
T01 << 1462359072.92739797 Not so complicated loop (116.28041s) stopped
T01 >> 1462359073.05454612 Complicated loop (393.74989s) started
T01 << 1462359082.68113089 Complicated loop (403.37647s) stopped
T01 >> 1462359082.69616294 Wait for sum (0.00236s) started
T01 << 1462359082.69620895 Wait for sum (0.00241s) stopped
T01 << 1462359082.69622111 LCAO forces (827.89053s) stopped
T01 << 1462359095.02231002 Force calculation (1336.70139s) stopped
T01 >> 1462359095.04061389 Initialization (2157.02595s) started
T01 << 1462359095.04081988 Initialization (2157.02615s) stopped
T01 >> 1462359095.04109907 Initialization (2157.02617s) started
T01 << 1462359095.04124188 Initialization (2157.02631s) stopped
T01 >> 1462359095.04138994 Initialization (2157.02633s) started
T01 << 1462359095.04153109 Initialization (2157.02647s) stopped
T01 >> 1462359115.39359903 Initialization (2157.02649s) started
T01 >> 1462359115.44352794 Basic WFS set positions (4.17882s) started
T01 >> 1462359115.44355392 Redistribute (0.08541s) started
T01 << 1462359115.44874096 Redistribute (0.09060s) stopped
T01 << 1462359115.54912496 Basic WFS set positions (4.28442s) stopped
T01 >> 1462359115.54917002 Basis functions set positions (17.77205s) started
T01 << 1462359115.95742297 Basis functions set positions (18.18030s) stopped
T01 >> 1462359115.95829892 TCI: Calculate S, T, P (646.21875s) started
T01 << 1462359131.18790197 TCI: Calculate S, T, P (661.44835s) stopped
T01 >> 1462359131.18799496 blocked summation (172.26159s) started
T01 << 1462359135.26197195 blocked summation (176.33557s) stopped
T01 >> 1462359135.26378202 Scalapack redistribute (10.33670s) started
T01 << 1462359135.32229996 Scalapack redistribute (10.39521s) stopped
T01 >> 1462359135.32262301 blocked summation (176.33561s) started
T01 << 1462359135.48435807 blocked summation (176.49734s) stopped
T01 >> 1462359135.48611903 Scalapack redistribute (10.39525s) started
T01 << 1462359135.68491101 Scalapack redistribute (10.59404s) stopped
T01 >> 1462359135.68625998 Redistribute (0.08661s) started
T01 << 1462359135.68724489 Redistribute (0.08759s) stopped
T01 >> 1462359136.60745001 Redistribute (0.08761s) started
T01 << 1462359136.60838699 Redistribute (0.08855s) stopped
T01 >> 1462359136.61899090 LCAO WFS Initialize (1261.33476s) started
T01 >> 1462359136.61901999 Density initialize from wavefunctions (51.20754s) started
T01 >> 1462359136.61943412 Calculate density matrix (29.61820s) started
T01 << 1462359137.32593799 Calculate density matrix (30.32471s) stopped
T01 >> 1462359137.32600307 Construct density (7.36081s) started
T01 << 1462359137.50750089 Construct density (7.54231s) stopped
T01 >> 1462359137.50909305 Symmetrize density (0.00183s) started
T01 << 1462359137.50912499 Symmetrize density (0.00186s) stopped
T01 << 1462359137.85763693 Density initialize from wavefunctions (52.44616s) stopped
T01 >> 1462359137.85821009 Hamiltonian (1209.90739s) started
T01 >> 1462359137.85826707 vbar (0.63431s) started
T01 << 1462359137.87305498 vbar (0.64910s) stopped
T01 >> 1462359137.87313104 XC 3D grid (442.35330s) started
T01 >> 1462359138.05290794 van der Waals (427.01511s) started
T01 >> 1462359138.09386992 semilocal (95.30647s) started
T01 << 1462359140.32095695 semilocal (97.53356s) stopped
T01 >> 1462359140.35192990 redistribute (45.72611s) started
T01 << 1462359140.72817802 redistribute (46.10236s) stopped
T01 >> 1462359140.72824907 libvdwxc nonlocal (282.72209s) started
T01 << 1462359147.45838594 libvdwxc nonlocal (289.45223s) stopped
T01 >> 1462359147.45843601 redistribute (46.10240s) started
T01 << 1462359148.11885905 redistribute (46.76282s) stopped
T01 << 1462359148.12012792 van der Waals (437.08233s) stopped
T01 << 1462359148.29792690 XC 3D grid (452.77810s) stopped
T01 >> 1462359148.29797697 Poisson (202.96580s) started
T01 << 1462359153.00366592 Poisson (207.67149s) stopped
T01 >> 1462359153.00374103 Hartree integrate/restrict (3.46905s) started
T01 << 1462359153.02284408 Hartree integrate/restrict (3.48816s) stopped
T01 >> 1462359153.02292299 Hartree integrate/restrict (3.48821s) started
T01 << 1462359153.08371902 Hartree integrate/restrict (3.54901s) stopped
T01 >> 1462359153.10847807 Atomic (285.00789s) started
T01 >> 1462359153.11892009 XC Correction (284.43373s) started
T01 << 1462359159.62381601 XC Correction (290.93863s) stopped
T01 << 1462359159.62687898 Atomic (291.52629s) stopped
T01 >> 1462359159.62708712 Communicate (274.54091s) started
T01 << 1462359165.74862099 Communicate (280.66245s) stopped
T01 << 1462359165.74864697 Hamiltonian (1237.79783s) stopped
T01 << 1462359165.74869895 LCAO WFS Initialize (1290.46447s) stopped
T01 << 1462359165.76074290 Initialization (2207.39363s) stopped
T01 >> 1462359165.78555703 SCF-cycle (22689.37709s) started
T01 >> 1462359165.78559494 LCAO eigensolver (5645.66785s) started
T01 >> 1462359165.78560805 Potential matrix (182.70964s) started
T01 << 1462359166.05362296 Potential matrix (182.97765s) stopped
T01 >> 1462359166.05369592 DistributedAtomicCorrection (939.70947s) started
T01 << 1462359167.40924311 DistributedAtomicCorrection (941.06502s) stopped
T01 >> 1462359167.40931392 Distribute overlap matrix (824.65224s) started
T01 >> 1462359167.40933609 blocked summation (782.26301s) started
T01 << 1462359168.58416390 blocked summation (783.43784s) stopped
T01 >> 1462359168.58640695 Scalapack redistribute (41.26087s) started
T01 << 1462359168.64410710 Scalapack redistribute (41.31857s) stopped
T01 << 1462359168.64419389 Distribute overlap matrix (825.88712s) stopped
T01 >> 1462359168.64482307 Blacs Orbital Layouts (1937.21418s) started
T01 >> 1462359168.64636207 General diagonalize (1898.27183s) started
T01 << 1462359171.37185788 General diagonalize (1900.99733s) stopped
T01 >> 1462359171.37190795 Redistribute coefs (2.13910s) started
T01 << 1462359171.37464809 Redistribute coefs (2.14184s) stopped
T01 >> 1462359171.37469411 Send coefs to domains (35.67550s) started
T01 << 1462359171.42740393 Send coefs to domains (35.72821s) stopped
T01 << 1462359171.42777705 Blacs Orbital Layouts (1939.99713s) stopped
T01 >> 1462359171.42780805 Calculate projections (1760.78064s) started
T01 << 1462359173.88821101 Calculate projections (1763.24104s) stopped
T01 << 1462359173.88865089 LCAO eigensolver (5653.77090s) stopped
T01 >> 1462359173.88927889 Density (1390.73367s) started
T01 >> 1462359173.88929200 Pseudo density (1151.36846s) started
T01 >> 1462359173.88978004 Calculate density matrix (1034.77157s) started
T01 << 1462359175.48081303 Calculate density matrix (1036.36260s) stopped
T01 >> 1462359175.48088002 Construct density (114.94573s) started
T01 << 1462359175.66268611 Construct density (115.12753s) stopped
T01 >> 1462359175.66407204 Symmetrize density (0.02904s) started
T01 << 1462359175.66410494 Symmetrize density (0.02907s) stopped
T01 << 1462359175.66455793 Pseudo density (1153.14373s) stopped
T01 >> 1462359175.66457701 Atomic density matrices (158.92057s) started
T01 << 1462359175.91399693 Atomic density matrices (159.16999s) stopped
T01 >> 1462359175.91403294 Multipole moments (2.59572s) started
T01 << 1462359175.91831493 Multipole moments (2.60001s) stopped
T01 >> 1462359175.91833711 Normalize (0.71204s) started
T01 << 1462359175.91945791 Normalize (0.71316s) stopped
T01 >> 1462359175.91949201 Mix (77.09232s) started
T01 << 1462359176.02626395 Mix (77.19909s) stopped
T01 << 1462359176.02632189 Density (1392.87072s) stopped
T01 >> 1462359176.02641201 Hamiltonian (15652.38781s) started
T01 >> 1462359176.02643299 vbar (9.46464s) started
T01 << 1462359176.04130197 vbar (9.47951s) stopped
T01 >> 1462359176.04137301 XC 3D grid (6776.79490s) started
T01 >> 1462359176.21833301 van der Waals (6541.86916s) started
T01 >> 1462359176.25914693 semilocal (1468.92101s) started
T01 << 1462359178.49437308 semilocal (1471.15624s) stopped
T01 >> 1462359178.52571893 redistribute (707.56020s) started
T01 << 1462359178.90058088 redistribute (707.93506s) stopped
T01 >> 1462359178.90065193 libvdwxc nonlocal (4315.55325s) started
T01 << 1462359185.59305191 libvdwxc nonlocal (4322.24565s) stopped
T01 >> 1462359185.59315109 redistribute (707.93510s) started
T01 << 1462359186.25417900 redistribute (708.59613s) stopped
T01 << 1462359186.25552297 van der Waals (6551.90635s) stopped
T01 << 1462359186.43484092 XC 3D grid (6787.18836s) stopped
T01 >> 1462359186.43489790 Poisson (1365.08638s) started
T01 << 1462359188.22617698 Poisson (1366.87766s) stopped
T01 >> 1462359188.22630000 Hartree integrate/restrict (53.72594s) started
T01 << 1462359188.24519110 Hartree integrate/restrict (53.74483s) stopped
T01 >> 1462359188.24530005 Hartree integrate/restrict (53.74491s) started
T01 << 1462359188.30822802 Hartree integrate/restrict (53.80784s) stopped
T01 >> 1462359188.33115697 Atomic (4164.31830s) started
T01 >> 1462359188.34120202 XC Correction (4155.71500s) started
T01 << 1462359194.89808512 XC Correction (4162.27188s) stopped
T01 << 1462359194.90106511 Atomic (4170.88821s) stopped
T01 >> 1462359194.90116501 Communicate (3268.97334s) started
T01 << 1462359200.73213911 Communicate (3274.80432s) stopped
T01 << 1462359200.73216200 Hamiltonian (15677.09356s) stopped
T01 >> 1462359200.73222709 LCAO eigensolver (5653.77092s) started
T01 >> 1462359200.73223901 Potential matrix (182.97769s) started
T01 << 1462359201.00319290 Potential matrix (183.24864s) stopped
T01 >> 1462359201.00325704 DistributedAtomicCorrection (941.06505s) started
T01 << 1462359202.35123801 DistributedAtomicCorrection (942.41303s) stopped
T01 >> 1462359202.35130692 Distribute overlap matrix (825.88714s) started
T01 >> 1462359202.35132909 blocked summation (783.43788s) started
T01 << 1462359203.52140594 blocked summation (784.60795s) stopped
T01 >> 1462359203.52345991 Scalapack redistribute (41.31861s) started
T01 << 1462359203.58038092 Scalapack redistribute (41.37553s) stopped
T01 << 1462359203.58048010 Distribute overlap matrix (827.11631s) stopped
T01 >> 1462359203.58112693 Blacs Orbital Layouts (1939.99715s) started
T01 >> 1462359203.58260608 General diagonalize (1900.99737s) started
T01 << 1462359206.28353691 General diagonalize (1903.69830s) stopped
T01 >> 1462359206.28360105 Redistribute coefs (2.14187s) started
T01 << 1462359206.28633308 Redistribute coefs (2.14460s) stopped
T01 >> 1462359206.28641796 Send coefs to domains (35.72826s) started
T01 << 1462359206.33930206 Send coefs to domains (35.78114s) stopped
T01 << 1462359206.33970809 Blacs Orbital Layouts (1942.75573s) stopped
T01 >> 1462359206.33976412 Calculate projections (1763.24110s) started
T01 << 1462359208.79999804 Calculate projections (1765.70134s) stopped
T01 << 1462359208.80043197 LCAO eigensolver (5661.83913s) stopped
T01 >> 1462359208.80107188 Density (1392.87073s) started
T01 >> 1462359208.80108500 Pseudo density (1153.14374s) started
T01 >> 1462359208.80157495 Calculate density matrix (1036.36265s) started
T01 << 1462359210.39071202 Calculate density matrix (1037.95179s) stopped
T01 >> 1462359210.39077806 Construct density (115.12756s) started
T01 << 1462359210.57271695 Construct density (115.30950s) stopped
T01 >> 1462359210.57411909 Symmetrize density (0.02908s) started
T01 << 1462359210.57415295 Symmetrize density (0.02912s) stopped
T01 << 1462359210.57460403 Pseudo density (1154.91726s) stopped
T01 >> 1462359210.57462311 Atomic density matrices (159.17002s) started
T01 << 1462359210.82501602 Atomic density matrices (159.42041s) stopped
T01 >> 1462359210.82505298 Multipole moments (2.60002s) started
T01 << 1462359210.82927203 Multipole moments (2.60424s) stopped
T01 >> 1462359210.82929301 Normalize (0.71318s) started
T01 << 1462359210.83040500 Normalize (0.71430s) stopped
T01 >> 1462359210.83044100 Mix (77.19915s) started
T01 << 1462359210.94079208 Mix (77.30950s) stopped
T01 << 1462359210.94087911 Density (1395.01054s) stopped
T01 >> 1462359210.94097805 Hamiltonian (15677.09358s) started
T01 >> 1462359210.94099808 vbar (9.47955s) started
T01 << 1462359210.95631695 vbar (9.49487s) stopped
T01 >> 1462359210.95637703 XC 3D grid (6787.18841s) started
T01 >> 1462359211.13882899 van der Waals (6551.90639s) started
T01 >> 1462359211.17851496 semilocal (1471.15629s) started
T01 << 1462359213.40976596 semilocal (1473.38754s) stopped
T01 >> 1462359213.44118309 redistribute (708.59617s) started
T01 << 1462359213.81685901 redistribute (708.97185s) stopped
T01 >> 1462359213.81692600 libvdwxc nonlocal (4322.24574s) started
T01 << 1462359220.52201200 libvdwxc nonlocal (4328.95082s) stopped
T01 >> 1462359220.52207208 redistribute (708.97188s) started
T01 << 1462359221.18095899 redistribute (709.63077s) stopped
T01 << 1462359221.18234801 van der Waals (6561.94991s) stopped
T01 << 1462359221.36038995 XC 3D grid (6797.59242s) stopped
T01 >> 1462359221.36043501 Poisson (1366.87775s) started
T01 << 1462359223.15503407 Poisson (1368.67235s) stopped
T01 >> 1462359223.15510798 Hartree integrate/restrict (53.80787s) started
T01 << 1462359223.17417097 Hartree integrate/restrict (53.82693s) stopped
T01 >> 1462359223.17423797 Hartree integrate/restrict (53.82698s) started
T01 << 1462359223.24170709 Hartree integrate/restrict (53.89445s) stopped
T01 >> 1462359223.25891709 Atomic (4170.88823s) started
T01 >> 1462359223.26890707 XC Correction (4162.27190s) started
T01 << 1462359229.54838490 XC Correction (4168.55138s) stopped
T01 << 1462359229.55141306 Atomic (4177.18073s) stopped
T01 >> 1462359229.55151010 Communicate (3274.80433s) started
T01 << 1462359235.02043009 Communicate (3280.27325s) stopped
T01 << 1462359235.02045393 Hamiltonian (15701.17305s) stopped
T01 >> 1462359235.02051902 LCAO eigensolver (5661.83915s) started
T01 >> 1462359235.02053189 Potential matrix (183.24868s) started
T01 << 1462359235.28992105 Potential matrix (183.51806s) stopped
T01 >> 1462359235.28998590 DistributedAtomicCorrection (942.41306s) started
T01 << 1462359236.65439296 DistributedAtomicCorrection (943.77746s) stopped
T01 >> 1462359236.65446401 Distribute overlap matrix (827.11632s) started
T01 >> 1462359236.65448594 blocked summation (784.60799s) started
T01 << 1462359237.80866408 blocked summation (785.76217s) stopped
T01 >> 1462359237.81034899 Scalapack redistribute (41.37558s) started
T01 << 1462359237.86795402 Scalapack redistribute (41.43318s) stopped
T01 << 1462359237.86805201 Distribute overlap matrix (828.32991s) stopped
T01 >> 1462359237.86868596 Blacs Orbital Layouts (1942.75575s) started
T01 >> 1462359237.87024903 General diagonalize (1903.69834s) started
T01 << 1462359240.56591392 General diagonalize (1906.39400s) stopped
T01 >> 1462359240.56597805 Redistribute coefs (2.14464s) started
T01 << 1462359240.56869411 Redistribute coefs (2.14736s) stopped
T01 >> 1462359240.56877804 Send coefs to domains (35.78119s) started
T01 << 1462359240.62127495 Send coefs to domains (35.83369s) stopped
T01 << 1462359240.62168407 Blacs Orbital Layouts (1945.50875s) stopped
T01 >> 1462359240.62174201 Calculate projections (1765.70139s) started
T01 << 1462359243.08203506 Calculate projections (1768.16169s) stopped
T01 << 1462359243.08230996 LCAO eigensolver (5669.90094s) stopped
T01 >> 1462359243.08302593 Density (1395.01056s) started
T01 >> 1462359243.08303905 Pseudo density (1154.91727s) started
T01 >> 1462359243.08353400 Calculate density matrix (1037.95183s) started
T01 << 1462359244.67242098 Calculate density matrix (1039.54071s) stopped
T01 >> 1462359244.67250395 Construct density (115.30953s) started
T01 << 1462359244.85420704 Construct density (115.49123s) stopped
T01 >> 1462359244.85560989 Symmetrize density (0.02913s) started
T01 << 1462359244.85564590 Symmetrize density (0.02917s) stopped
T01 << 1462359244.85609698 Pseudo density (1156.69033s) stopped
T01 >> 1462359244.85611701 Atomic density matrices (159.42043s) started
T01 << 1462359245.10619593 Atomic density matrices (159.67051s) stopped
T01 >> 1462359245.10623288 Multipole moments (2.60425s) started
T01 << 1462359245.11043692 Multipole moments (2.60846s) stopped
T01 >> 1462359245.11046004 Normalize (0.71432s) started
T01 << 1462359245.11157393 Normalize (0.71544s) stopped
T01 >> 1462359245.11160803 Mix (77.30958s) started
T01 << 1462359245.22631407 Mix (77.42429s) stopped
T01 << 1462359245.22642589 Density (1397.15396s) stopped
T01 >> 1462359245.22652793 Hamiltonian (15701.17307s) started
T01 >> 1462359245.22662306 vbar (9.49490s) started
T01 << 1462359245.24158311 vbar (9.50986s) stopped
T01 >> 1462359245.24164796 XC 3D grid (6797.59246s) started
T01 >> 1462359245.42197394 van der Waals (6561.95000s) started
T01 >> 1462359245.46353292 semilocal (1473.38759s) started
T01 << 1462359247.69004107 semilocal (1475.61410s) stopped
T01 >> 1462359247.72037101 redistribute (709.63081s) started
T01 << 1462359248.09290004 redistribute (710.00334s) stopped
T01 >> 1462359248.09296703 libvdwxc nonlocal (4328.95086s) started
T01 << 1462359254.77471495 libvdwxc nonlocal (4335.63261s) stopped
T01 >> 1462359254.77477503 redistribute (710.00338s) started
T01 << 1462359255.43378091 redistribute (710.66238s) stopped
T01 << 1462359255.43501210 van der Waals (6571.96304s) stopped
T01 << 1462359255.61753392 XC 3D grid (6807.96834s) stopped
T01 >> 1462359255.61758399 Poisson (1368.67241s) started
T01 << 1462359257.99344397 Poisson (1371.04827s) stopped
T01 >> 1462359257.99351811 Hartree integrate/restrict (53.89449s) started
T01 << 1462359258.01227808 Hartree integrate/restrict (53.91325s) stopped
T01 >> 1462359258.01234198 Hartree integrate/restrict (53.91329s) started
T01 << 1462359258.07272291 Hartree integrate/restrict (53.97367s) stopped
T01 >> 1462359258.09699988 Atomic (4177.18074s) started
T01 >> 1462359258.10704899 XC Correction (4168.55140s) started
T01 << 1462359264.41410089 XC Correction (4174.85845s) stopped
T01 << 1462359264.41710806 Atomic (4183.50085s) stopped
T01 >> 1462359264.41721106 Communicate (3280.27327s) started
T01 << 1462359269.28095007 Communicate (3285.13701s) stopped
T01 << 1462359269.28097391 Hamiltonian (15725.22751s) stopped
T01 >> 1462359269.28103805 LCAO eigensolver (5669.90096s) started
T01 >> 1462359269.28105092 Potential matrix (183.51810s) started
T01 << 1462359269.54925203 Potential matrix (183.78630s) stopped
T01 >> 1462359269.54931808 DistributedAtomicCorrection (943.77749s) started
T01 << 1462359270.90433693 DistributedAtomicCorrection (945.13251s) stopped
T01 >> 1462359270.90440607 Distribute overlap matrix (828.32992s) started
T01 >> 1462359270.90442705 blocked summation (785.76221s) started
T01 << 1462359272.07396197 blocked summation (786.93174s) stopped
T01 >> 1462359272.07623792 Scalapack redistribute (41.43323s) started
T01 << 1462359272.13426208 Scalapack redistribute (41.49126s) stopped
T01 << 1462359272.13434410 Distribute overlap matrix (829.55986s) stopped
T01 >> 1462359272.13498092 Blacs Orbital Layouts (1945.50877s) started
T01 >> 1462359272.13655210 General diagonalize (1906.39404s) started
T01 << 1462359274.83323598 General diagonalize (1909.09073s) stopped
T01 >> 1462359274.83330107 Redistribute coefs (2.14739s) started
T01 << 1462359274.83608699 Redistribute coefs (2.15018s) stopped
T01 >> 1462359274.83613396 Send coefs to domains (35.83374s) started
T01 << 1462359274.88915801 Send coefs to domains (35.88676s) stopped
T01 << 1462359274.88949895 Blacs Orbital Layouts (1948.26328s) stopped
T01 >> 1462359274.88955212 Calculate projections (1768.16175s) started
T01 << 1462359277.35012698 Calculate projections (1770.62232s) stopped
T01 << 1462359277.35056496 LCAO eigensolver (5677.97048s) stopped
T01 >> 1462359277.35130191 Density (1397.15398s) started
T01 >> 1462359277.35131502 Pseudo density (1156.69035s) started
T01 >> 1462359277.35181403 Calculate density matrix (1039.54075s) started
T01 << 1462359278.94777799 Calculate density matrix (1041.13672s) stopped
T01 >> 1462359278.94786811 Construct density (115.49126s) started
T01 << 1462359279.12969303 Construct density (115.67308s) stopped
T01 >> 1462359279.13112092 Symmetrize density (0.02918s) started
T01 << 1462359279.13115501 Symmetrize density (0.02921s) stopped
T01 << 1462359279.13160896 Pseudo density (1158.47064s) stopped
T01 >> 1462359279.13162899 Atomic density matrices (159.67054s) started
T01 << 1462359279.38070512 Atomic density matrices (159.91962s) stopped
T01 >> 1462359279.38074207 Multipole moments (2.60847s) started
T01 << 1462359279.38494611 Multipole moments (2.61268s) stopped
T01 >> 1462359279.38496804 Normalize (0.71546s) started
T01 << 1462359279.38609290 Normalize (0.71659s) stopped
T01 >> 1462359279.38612700 Mix (77.42440s) started
T01 << 1462359279.50391603 Mix (77.54219s) stopped
T01 << 1462359279.50402904 Density (1399.30671s) stopped
T01 >> 1462359279.50412512 Hamiltonian (15725.22752s) started
T01 >> 1462359279.50414395 vbar (9.50989s) started
T01 << 1462359279.51870489 vbar (9.52446s) stopped
T01 >> 1462359279.51878309 XC 3D grid (6807.96838s) started
T01 >> 1462359279.69498992 van der Waals (6571.96310s) started
T01 >> 1462359279.73674703 semilocal (1475.61419s) started
T01 << 1462359281.96133399 semilocal (1477.83878s) stopped
T01 >> 1462359281.99182796 redistribute (710.66244s) started
T01 << 1462359282.37742496 redistribute (711.04804s) stopped
T01 >> 1462359282.37749290 libvdwxc nonlocal (4335.63264s) started
T01 << 1462359289.07686305 libvdwxc nonlocal (4342.33201s) stopped
T01 >> 1462359289.07693100 redistribute (711.04808s) started
T01 << 1462359289.73398304 redistribute (711.70513s) stopped
T01 << 1462359289.73527098 van der Waals (6582.00338s) stopped
T01 << 1462359289.91498709 XC 3D grid (6818.36458s) stopped
T01 >> 1462359289.91504312 Poisson (1371.04832s) started
T01 << 1462359292.28940797 Poisson (1373.42269s) stopped
T01 >> 1462359292.28950405 Hartree integrate/restrict (53.97371s) started
T01 << 1462359292.30824304 Hartree integrate/restrict (53.99245s) stopped
T01 >> 1462359292.30832696 Hartree integrate/restrict (53.99251s) started
T01 << 1462359292.37040806 Hartree integrate/restrict (54.05459s) stopped
T01 >> 1462359292.39334798 Atomic (4183.50087s) started
T01 >> 1462359292.40336490 XC Correction (4174.85848s) started
T01 << 1462359298.76426792 XC Correction (4181.21938s) stopped
T01 << 1462359298.76726294 Atomic (4189.87478s) stopped
T01 >> 1462359298.76736212 Communicate (3285.13702s) started
T01 << 1462359303.25091004 Communicate (3289.62057s) stopped
T01 << 1462359303.25093293 Hamiltonian (15748.97433s) stopped
T01 >> 1462359303.25099206 LCAO eigensolver (5677.97050s) started
T01 >> 1462359303.25100398 Potential matrix (183.78633s) started
T01 << 1462359303.52220702 Potential matrix (184.05753s) stopped
T01 >> 1462359303.52227402 DistributedAtomicCorrection (945.13254s) started
T01 << 1462359304.88044000 DistributedAtomicCorrection (946.49071s) stopped
T01 >> 1462359304.88050890 Distribute overlap matrix (829.55987s) started
T01 >> 1462359304.88053107 blocked summation (786.93178s) started
T01 << 1462359306.02290297 blocked summation (788.07415s) stopped
T01 >> 1462359306.02490211 Scalapack redistribute (41.49129s) started
T01 << 1462359306.08300209 Scalapack redistribute (41.54939s) stopped
T01 << 1462359306.08310008 Distribute overlap matrix (830.76246s) stopped
T01 >> 1462359306.08375192 Blacs Orbital Layouts (1948.26330s) started
T01 >> 1462359306.08529305 General diagonalize (1909.09076s) started
T01 << 1462359308.79190207 General diagonalize (1911.79737s) stopped
T01 >> 1462359308.79196692 Redistribute coefs (2.15021s) started
T01 << 1462359308.79475594 Redistribute coefs (2.15300s) stopped
T01 >> 1462359308.79483700 Send coefs to domains (35.88680s) started
T01 << 1462359308.84761500 Send coefs to domains (35.93958s) stopped
T01 << 1462359308.84797096 Blacs Orbital Layouts (1951.02752s) stopped
T01 >> 1462359308.84803200 Calculate projections (1770.62238s) started
T01 << 1462359311.30850101 Calculate projections (1773.08285s) stopped
T01 << 1462359311.30893898 LCAO eigensolver (5686.02845s) stopped
T01 >> 1462359311.30967689 Density (1399.30673s) started
T01 >> 1462359311.30969000 Pseudo density (1158.47065s) started
T01 >> 1462359311.31017900 Calculate density matrix (1041.13676s) started
T01 << 1462359312.90242100 Calculate density matrix (1042.72900s) stopped
T01 >> 1462359312.90250897 Construct density (115.67311s) started
T01 << 1462359313.08452010 Construct density (115.85512s) stopped
T01 >> 1462359313.08592296 Symmetrize density (0.02922s) started
T01 << 1462359313.08595705 Symmetrize density (0.02926s) stopped
T01 << 1462359313.08641195 Pseudo density (1160.24738s) stopped
T01 >> 1462359313.08646202 Atomic density matrices (159.91964s) started
T01 << 1462359313.33581090 Atomic density matrices (160.16899s) stopped
T01 >> 1462359313.33584809 Multipole moments (2.61269s) started
T01 << 1462359313.34004211 Multipole moments (2.61689s) stopped
T01 >> 1462359313.34006405 Normalize (0.71661s) started
T01 << 1462359313.34119511 Normalize (0.71774s) stopped
T01 >> 1462359313.34122992 Mix (77.54229s) started
T01 << 1462359313.46291208 Mix (77.66397s) stopped
T01 << 1462359313.46303296 Density (1401.46008s) stopped
T01 >> 1462359313.46314597 Hamiltonian (15748.97435s) started
T01 >> 1462359313.46316600 vbar (9.52450s) started
T01 << 1462359313.47776389 vbar (9.53910s) stopped
T01 >> 1462359313.47784209 XC 3D grid (6818.36463s) started
T01 >> 1462359313.65806293 van der Waals (6582.00344s) started
T01 >> 1462359313.69935894 semilocal (1477.83887s) started
T01 << 1462359315.91520810 semilocal (1480.05472s) stopped
T01 >> 1462359315.94684291 redistribute (711.70518s) started
T01 << 1462359316.32221007 redistribute (712.08054s) stopped
T01 >> 1462359316.32227802 libvdwxc nonlocal (4342.33206s) started
T01 << 1462359323.01778889 libvdwxc nonlocal (4349.02757s) stopped
T01 >> 1462359323.01786900 redistribute (712.08058s) started
T01 << 1462359323.68400908 redistribute (712.74672s) stopped
T01 << 1462359323.68587208 van der Waals (6592.03125s) stopped
T01 << 1462359323.86278892 XC 3D grid (6828.74957s) stopped
T01 >> 1462359323.86284304 Poisson (1373.42276s) started
T01 << 1462359326.23572898 Poisson (1375.79565s) stopped
T01 >> 1462359326.23581696 Hartree integrate/restrict (54.05462s) started
T01 << 1462359326.25509310 Hartree integrate/restrict (54.07390s) stopped
T01 >> 1462359326.25514102 Hartree integrate/restrict (54.07393s) started
T01 << 1462359326.31739712 Hartree integrate/restrict (54.13619s) stopped
T01 >> 1462359326.33489704 Atomic (4189.87480s) started
T01 >> 1462359326.34501410 XC Correction (4181.21941s) started
T01 << 1462359332.73055601 XC Correction (4187.60495s) stopped
T01 << 1462359332.73357606 Atomic (4196.27348s) stopped
T01 >> 1462359332.73368192 Communicate (3289.62059s) started
T01 << 1462359337.16463089 Communicate (3294.05154s) stopped
T01 << 1462359337.16465807 Hamiltonian (15772.67586s) stopped
T01 >> 1462359337.16472006 LCAO eigensolver (5686.02847s) started
T01 >> 1462359337.16473198 Potential matrix (184.05757s) started
T01 << 1462359337.43399811 Potential matrix (184.32683s) stopped
T01 >> 1462359337.43406606 DistributedAtomicCorrection (946.49073s) started
T01 << 1462359338.79409194 DistributedAtomicCorrection (947.85076s) stopped
T01 >> 1462359338.79416203 Distribute overlap matrix (830.76247s) started
T01 >> 1462359338.79418397 blocked summation (788.07419s) started
T01 << 1462359339.93997312 blocked summation (789.21998s) stopped
T01 >> 1462359339.94161797 Scalapack redistribute (41.54944s) started
T01 << 1462359340.00097394 Scalapack redistribute (41.60879s) stopped
T01 << 1462359340.00106001 Distribute overlap matrix (831.96937s) stopped
T01 >> 1462359340.00165892 Blacs Orbital Layouts (1951.02754s) started
T01 >> 1462359340.00315309 General diagonalize (1911.79741s) started
T01 << 1462359342.70034599 General diagonalize (1914.49460s) stopped
T01 >> 1462359342.70040989 Redistribute coefs (2.15304s) started
T01 << 1462359342.70406604 Redistribute coefs (2.15669s) stopped
T01 >> 1462359342.70411205 Send coefs to domains (35.93963s) started
T01 << 1462359342.75664997 Send coefs to domains (35.99217s) stopped
T01 << 1462359342.75699806 Blacs Orbital Layouts (1953.78288s) stopped
T01 >> 1462359342.75705099 Calculate projections (1773.08291s) started
T01 << 1462359345.21737099 Calculate projections (1775.54323s) stopped
T01 << 1462359345.21765089 LCAO eigensolver (5694.08140s) stopped
T01 >> 1462359345.21838403 Density (1401.46010s) started
T01 >> 1462359345.21839690 Pseudo density (1160.24742s) started
T01 >> 1462359345.21888995 Calculate density matrix (1042.72904s) started
T01 << 1462359346.81543207 Calculate density matrix (1044.32559s) stopped
T01 >> 1462359346.81552100 Construct density (115.85515s) started
T01 << 1462359346.99725795 Construct density (116.03688s) stopped
T01 >> 1462359346.99955893 Symmetrize density (0.02927s) started
T01 << 1462359346.99959302 Symmetrize density (0.02930s) stopped
T01 << 1462359347.00005007 Pseudo density (1162.02907s) stopped
T01 >> 1462359347.00007105 Atomic density matrices (160.16901s) started
T01 << 1462359347.25099611 Atomic density matrices (160.41994s) stopped
T01 >> 1462359347.25103307 Multipole moments (2.61690s) started
T01 << 1462359347.25524306 Multipole moments (2.62111s) stopped
T01 >> 1462359347.25526500 Normalize (0.71777s) started
T01 << 1462359347.25637698 Normalize (0.71888s) stopped
T01 >> 1462359347.25641108 Mix (77.66409s) started
T01 << 1462359347.37780499 Mix (77.78548s) stopped
T01 << 1462359347.37789202 Density (1403.61961s) stopped
T01 >> 1462359347.37797904 Hamiltonian (15772.67587s) started
T01 >> 1462359347.37799907 vbar (9.53914s) started
T01 << 1462359347.39249802 vbar (9.55364s) stopped
T01 >> 1462359347.39256501 XC 3D grid (6828.74962s) started
T01 >> 1462359347.57158899 van der Waals (6592.03134s) started
T01 >> 1462359347.61257505 semilocal (1480.05481s) started
T01 << 1462359349.85320592 semilocal (1482.29544s) stopped
T01 >> 1462359349.88235402 redistribute (712.74684s) started
T01 << 1462359350.25524497 redistribute (713.11973s) stopped
T01 >> 1462359350.25531292 libvdwxc nonlocal (4349.02763s) started
T01 << 1462359356.96842408 libvdwxc nonlocal (4355.74074s) stopped
T01 >> 1462359356.96850491 redistribute (713.11977s) started
T01 << 1462359357.64037609 redistribute (713.79164s) stopped
T01 << 1462359357.64177489 van der Waals (6602.10153s) stopped
T01 << 1462359357.81486201 XC 3D grid (6839.17191s) stopped
T01 >> 1462359357.81490707 Poisson (1375.79571s) started
T01 << 1462359360.18790007 Poisson (1378.16871s) stopped
T01 >> 1462359360.18797302 Hartree integrate/restrict (54.13622s) started
T01 << 1462359360.20686698 Hartree integrate/restrict (54.15512s) stopped
T01 >> 1462359360.20692110 Hartree integrate/restrict (54.15515s) started
T01 << 1462359360.26871705 Hartree integrate/restrict (54.21695s) stopped
T01 >> 1462359360.29177189 Atomic (4196.27349s) started
T01 >> 1462359360.30198598 XC Correction (4187.60497s) started
T01 << 1462359366.70722795 XC Correction (4194.01021s) stopped
T01 << 1462359366.71025610 Atomic (4202.69198s) stopped
T01 >> 1462359366.71035409 Communicate (3294.05156s) started
T01 << 1462359371.14476705 Communicate (3298.48597s) stopped
T01 << 1462359371.14478993 Hamiltonian (15796.44268s) stopped
T01 >> 1462359371.14485598 LCAO eigensolver (5694.08142s) started
T01 >> 1462359371.14486909 Potential matrix (184.32687s) started
T01 << 1462359371.41351104 Potential matrix (184.59551s) stopped
T01 >> 1462359371.41357899 DistributedAtomicCorrection (947.85079s) started
T01 << 1462359372.78517389 DistributedAtomicCorrection (949.22238s) stopped
T01 >> 1462359372.78524494 Distribute overlap matrix (831.96938s) started
T01 >> 1462359372.78526592 blocked summation (789.22002s) started
T01 << 1462359373.93333793 blocked summation (790.36809s) stopped
T01 >> 1462359373.93558311 Scalapack redistribute (41.60883s) started
T01 << 1462359373.99468207 Scalapack redistribute (41.66793s) stopped
T01 << 1462359373.99476695 Distribute overlap matrix (833.17890s) stopped
T01 >> 1462359373.99539399 Blacs Orbital Layouts (1953.78290s) started
T01 >> 1462359373.99696302 General diagonalize (1914.49464s) started
T01 << 1462359376.69014502 General diagonalize (1917.18782s) stopped
T01 >> 1462359376.69021106 Redistribute coefs (2.15673s) started
T01 << 1462359376.69328403 Redistribute coefs (2.15980s) stopped
T01 >> 1462359376.69333196 Send coefs to domains (35.99221s) started
T01 << 1462359376.74597502 Send coefs to domains (36.04485s) stopped
T01 << 1462359376.74632502 Blacs Orbital Layouts (1956.53383s) stopped
T01 >> 1462359376.74638009 Calculate projections (1775.54328s) started
T01 << 1462359379.20656300 Calculate projections (1778.00347s) stopped
T01 << 1462359379.20700693 LCAO eigensolver (5702.14357s) stopped
T01 >> 1462359379.20777106 Density (1403.61963s) started
T01 >> 1462359379.20778489 Pseudo density (1162.02909s) started
T01 >> 1462359379.20827389 Calculate density matrix (1044.32563s) started
T01 << 1462359380.81065798 Calculate density matrix (1045.92801s) stopped
T01 >> 1462359380.81075907 Construct density (116.03691s) started
T01 << 1462359380.99247408 Construct density (116.21863s) stopped
T01 >> 1462359380.99387288 Symmetrize density (0.02931s) started
T01 << 1462359380.99390602 Symmetrize density (0.02935s) stopped
T01 << 1462359380.99435496 Pseudo density (1163.81566s) stopped
T01 >> 1462359380.99437404 Atomic density matrices (160.41996s) started
T01 << 1462359381.24507499 Atomic density matrices (160.67066s) stopped
T01 >> 1462359381.24511003 Multipole moments (2.62113s) started
T01 << 1462359381.24932289 Multipole moments (2.62534s) stopped
T01 >> 1462359381.24934411 Normalize (0.71890s) started
T01 << 1462359381.25047994 Normalize (0.72004s) stopped
T01 >> 1462359381.25051498 Mix (77.78557s) started
T01 << 1462359381.37147403 Mix (77.90653s) stopped
T01 << 1462359381.37157989 Density (1405.78344s) stopped
T01 >> 1462359381.37166405 Hamiltonian (15796.44269s) started
T01 >> 1462359381.37168288 vbar (9.55368s) started
T01 << 1462359381.38671398 vbar (9.56871s) stopped
T01 >> 1462359381.38677597 XC 3D grid (6839.17195s) started
T01 >> 1462359381.56209207 van der Waals (6602.10161s) started
T01 >> 1462359381.60339808 semilocal (1482.29550s) started
T01 << 1462359383.80915189 semilocal (1484.50125s) stopped
T01 >> 1462359383.84029794 redistribute (713.79175s) started
T01 << 1462359384.23544097 redistribute (714.18689s) stopped
T01 >> 1462359384.23550892 libvdwxc nonlocal (4355.74079s) started
T01 << 1462359390.94440293 libvdwxc nonlocal (4362.44969s) stopped
T01 >> 1462359390.94446206 redistribute (714.18693s) started
T01 << 1462359391.60965991 redistribute (714.85213s) stopped
T01 << 1462359391.61110091 van der Waals (6612.15062s) stopped
T01 << 1462359391.79172611 XC 3D grid (6849.57690s) stopped
T01 >> 1462359391.79177094 Poisson (1378.16876s) started
T01 << 1462359393.58517098 Poisson (1379.96216s) stopped
T01 >> 1462359393.58524799 Hartree integrate/restrict (54.21700s) started
T01 << 1462359393.60424900 Hartree integrate/restrict (54.23600s) stopped
T01 >> 1462359393.60429597 Hartree integrate/restrict (54.23603s) started
T01 << 1462359393.66539907 Hartree integrate/restrict (54.29713s) stopped
T01 >> 1462359393.68543601 Atomic (4202.69200s) started
T01 >> 1462359393.69558597 XC Correction (4194.01024s) started
T01 << 1462359400.14846802 XC Correction (4200.46312s) stopped
T01 << 1462359400.15148902 Atomic (4209.15805s) stopped
T01 >> 1462359400.15158796 Communicate (3298.48598s) started
T01 << 1462359404.49311209 Communicate (3302.82751s) stopped
T01 << 1462359404.49313402 Hamiltonian (15819.56416s) stopped
T01 >> 1462359404.49319792 LCAO eigensolver (5702.14362s) started
T01 >> 1462359404.49321103 Potential matrix (184.59554s) started
T01 << 1462359404.76520491 Potential matrix (184.86754s) stopped
T01 >> 1462359404.76526999 DistributedAtomicCorrection (949.22241s) started
T01 << 1462359406.12736297 DistributedAtomicCorrection (950.58450s) stopped
T01 >> 1462359406.12743402 Distribute overlap matrix (833.17892s) started
T01 >> 1462359406.12745500 blocked summation (790.36813s) started
T01 << 1462359407.28556395 blocked summation (791.52623s) stopped
T01 >> 1462359407.28782010 Scalapack redistribute (41.66797s) started
T01 << 1462359407.34667802 Scalapack redistribute (41.72682s) stopped
T01 << 1462359407.34676290 Distribute overlap matrix (834.39824s) stopped
T01 >> 1462359407.34735298 Blacs Orbital Layouts (1956.53385s) started
T01 >> 1462359407.34896708 General diagonalize (1917.18786s) started
T01 << 1462359410.08960390 General diagonalize (1919.92850s) stopped
T01 >> 1462359410.08967090 Redistribute coefs (2.15984s) started
T01 << 1462359410.09291911 Redistribute coefs (2.16309s) stopped
T01 >> 1462359410.09296703 Send coefs to domains (36.04490s) started
T01 << 1462359410.14555311 Send coefs to domains (36.09748s) stopped
T01 << 1462359410.14589190 Blacs Orbital Layouts (1959.33238s) stopped
T01 >> 1462359410.14595008 Calculate projections (1778.00353s) started
T01 << 1462359412.60641909 Calculate projections (1780.46400s) stopped
T01 << 1462359412.60686207 LCAO eigensolver (5710.25728s) stopped
T01 >> 1462359412.60756993 Density (1405.78345s) started
T01 >> 1462359412.60758305 Pseudo density (1163.81567s) started
T01 >> 1462359412.60807896 Calculate density matrix (1045.92806s) started
T01 << 1462359414.21230292 Calculate density matrix (1047.53228s) stopped
T01 >> 1462359414.21239209 Construct density (116.21865s) started
T01 << 1462359414.39432502 Construct density (116.40059s) stopped
T01 >> 1462359414.39572001 Symmetrize density (0.02936s) started
T01 << 1462359414.39575410 Symmetrize density (0.02939s) stopped
T01 << 1462359414.39620996 Pseudo density (1165.60430s) stopped
T01 >> 1462359414.39622903 Atomic density matrices (160.67069s) started
T01 << 1462359414.64761400 Atomic density matrices (160.92207s) stopped
T01 >> 1462359414.64765310 Multipole moments (2.62535s) started
T01 << 1462359414.65189290 Multipole moments (2.62959s) stopped
T01 >> 1462359414.65191507 Normalize (0.72006s) started
T01 << 1462359414.65303802 Normalize (0.72119s) stopped
T01 >> 1462359414.65307403 Mix (77.90663s) started
T01 << 1462359414.77479005 Mix (78.02834s) stopped
T01 << 1462359414.77488995 Density (1407.95077s) stopped
T01 >> 1462359414.77498698 Hamiltonian (15819.56418s) started
T01 >> 1462359414.77500796 vbar (9.56874s) started
T01 << 1462359414.78960800 vbar (9.58334s) stopped
T01 >> 1462359414.78970408 XC 3D grid (6849.57693s) started
T01 >> 1462359414.96819592 van der Waals (6612.15067s) started
T01 >> 1462359415.00953889 semilocal (1484.50137s) started
T01 << 1462359417.23365903 semilocal (1486.72549s) stopped
T01 >> 1462359417.26470304 redistribute (714.85218s) started
T01 << 1462359417.64375997 redistribute (715.23123s) stopped
T01 >> 1462359417.64382601 libvdwxc nonlocal (4362.44972s) started
T01 << 1462359424.32593203 libvdwxc nonlocal (4369.13183s) stopped
T01 >> 1462359424.32601404 redistribute (715.23127s) started
T01 << 1462359424.98905802 redistribute (715.89431s) stopped
T01 << 1462359424.99054193 van der Waals (6622.17301s) stopped
T01 << 1462359425.17300797 XC 3D grid (6859.96024s) stopped
T01 >> 1462359425.17306495 Poisson (1379.96222s) started
T01 << 1462359426.96341300 Poisson (1381.75257s) stopped
T01 >> 1462359426.96352506 Hartree integrate/restrict (54.29718s) started
T01 << 1462359426.98253012 Hartree integrate/restrict (54.31618s) stopped
T01 >> 1462359426.98263693 Hartree integrate/restrict (54.31626s) started
T01 << 1462359427.04931211 Hartree integrate/restrict (54.38294s) stopped
T01 >> 1462359427.06694603 Atomic (4209.15806s) started
T01 >> 1462359427.07712507 XC Correction (4200.46314s) started
T01 << 1462359433.38524389 XC Correction (4206.77126s) stopped
T01 << 1462359433.38827205 Atomic (4215.47939s) stopped
T01 >> 1462359433.38837695 Communicate (3302.82752s) started
T01 << 1462359437.90461802 Communicate (3307.34376s) stopped
T01 << 1462359437.90464091 Hamiltonian (15842.69383s) stopped
T01 >> 1462359437.90471005 LCAO eigensolver (5710.25730s) started
T01 >> 1462359437.90472293 Potential matrix (184.86757s) started
T01 << 1462359438.17346597 Potential matrix (185.13631s) stopped
T01 >> 1462359438.17353296 DistributedAtomicCorrection (950.58453s) started
T01 << 1462359439.53106594 DistributedAtomicCorrection (951.94207s) stopped
T01 >> 1462359439.53113389 Distribute overlap matrix (834.39826s) started
T01 >> 1462359439.53115511 blocked summation (791.52627s) started
T01 << 1462359440.68509698 blocked summation (792.68021s) stopped
T01 >> 1462359440.68672800 Scalapack redistribute (41.72686s) started
T01 << 1462359440.74524093 Scalapack redistribute (41.78537s) stopped
T01 << 1462359440.74532509 Distribute overlap matrix (835.61245s) stopped
T01 >> 1462359440.74593496 Blacs Orbital Layouts (1959.33240s) started
T01 >> 1462359440.74739599 General diagonalize (1919.92854s) started
T01 << 1462359443.43097711 General diagonalize (1922.61212s) stopped
T01 >> 1462359443.43104100 Redistribute coefs (2.16312s) started
T01 << 1462359443.43462706 Redistribute coefs (2.16671s) stopped
T01 >> 1462359443.43467593 Send coefs to domains (36.09752s) started
T01 << 1462359443.48646593 Send coefs to domains (36.14931s) stopped
T01 << 1462359443.48680091 Blacs Orbital Layouts (1962.07327s) stopped
T01 >> 1462359443.48685002 Calculate projections (1780.46405s) started
T01 << 1462359445.94708800 Calculate projections (1782.92429s) stopped
T01 << 1462359445.94736099 LCAO eigensolver (5718.29995s) stopped
T01 >> 1462359445.94809508 Density (1407.95080s) started
T01 >> 1462359445.94810796 Pseudo density (1165.60431s) started
T01 >> 1462359445.94859195 Calculate density matrix (1047.53232s) started
T01 << 1462359447.54624701 Calculate density matrix (1049.12998s) stopped
T01 >> 1462359447.54633904 Construct density (116.40061s) started
T01 << 1462359447.72790194 Construct density (116.58218s) stopped
T01 >> 1462359447.72930288 Symmetrize density (0.02940s) started
T01 << 1462359447.72933602 Symmetrize density (0.02944s) stopped
T01 << 1462359447.72979307 Pseudo density (1167.38600s) stopped
T01 >> 1462359447.72981310 Atomic density matrices (160.92209s) started
T01 << 1462359447.97932291 Atomic density matrices (161.17160s) stopped
T01 >> 1462359447.97935891 Multipole moments (2.62961s) started
T01 << 1462359447.98356700 Multipole moments (2.63381s) stopped
T01 >> 1462359447.98358798 Normalize (0.72121s) started
T01 << 1462359447.98471689 Normalize (0.72234s) stopped
T01 >> 1462359447.98475099 Mix (78.02844s) started
T01 << 1462359448.10593700 Mix (78.14962s) stopped
T01 << 1462359448.10599709 Density (1410.10870s) stopped
T01 >> 1462359448.10608697 Hamiltonian (15842.69385s) started
T01 >> 1462359448.10610604 vbar (9.58340s) started
T01 << 1462359448.12109804 vbar (9.59839s) stopped
T01 >> 1462359448.12116599 XC 3D grid (6859.96028s) started
T01 >> 1462359448.30201292 van der Waals (6622.17309s) started
T01 >> 1462359448.34376788 semilocal (1486.72555s) started
T01 << 1462359450.56330395 semilocal (1488.94509s) stopped
T01 >> 1462359450.59401107 redistribute (715.89436s) started
T01 << 1462359450.97345304 redistribute (716.27380s) stopped
T01 >> 1462359450.97351909 libvdwxc nonlocal (4369.13188s) started
T01 << 1462359457.68738008 libvdwxc nonlocal (4375.84574s) stopped
T01 >> 1462359457.68743801 redistribute (716.27384s) started
T01 << 1462359458.34887004 redistribute (716.93527s) stopped
T01 << 1462359458.35005808 van der Waals (6632.22114s) stopped
T01 << 1462359458.53121305 XC 3D grid (6870.37033s) stopped
T01 >> 1462359458.53126502 Poisson (1381.75265s) started
T01 << 1462359460.31982207 Poisson (1383.54121s) stopped
T01 >> 1462359460.31989503 Hartree integrate/restrict (54.38298s) started
T01 << 1462359460.33908606 Hartree integrate/restrict (54.40217s) stopped
T01 >> 1462359460.33914304 Hartree integrate/restrict (54.40221s) started
T01 << 1462359460.39981198 Hartree integrate/restrict (54.46287s) stopped
T01 >> 1462359460.42406988 Atomic (4215.47941s) started
T01 >> 1462359460.43424606 XC Correction (4206.77129s) started
T01 << 1462359466.94690990 XC Correction (4213.28395s) stopped
T01 << 1462359466.94991994 Atomic (4222.00526s) stopped
T01 >> 1462359466.95002103 Communicate (3307.34378s) started
T01 << 1462359471.31438899 Communicate (3311.70815s) stopped
T01 << 1462359471.31441092 Hamiltonian (15865.90217s) stopped
T01 >> 1462359471.31447506 LCAO eigensolver (5718.29997s) started
T01 >> 1462359471.31448793 Potential matrix (185.13635s) started
T01 << 1462359471.58319998 Potential matrix (185.40506s) stopped
T01 >> 1462359471.58326602 DistributedAtomicCorrection (951.94209s) started
T01 << 1462359472.95167208 DistributedAtomicCorrection (953.31050s) stopped
T01 >> 1462359472.95174289 Distribute overlap matrix (835.61246s) started
T01 >> 1462359472.95176411 blocked summation (792.68025s) started
T01 << 1462359474.09895802 blocked summation (793.82744s) stopped
T01 >> 1462359474.10122395 Scalapack redistribute (41.78541s) started
T01 << 1462359474.16074300 Scalapack redistribute (41.84493s) stopped
T01 << 1462359474.16082597 Distribute overlap matrix (836.82154s) stopped
T01 >> 1462359474.16142893 Blacs Orbital Layouts (1962.07329s) started
T01 >> 1462359474.16293097 General diagonalize (1922.61216s) started
T01 << 1462359476.85617995 General diagonalize (1925.30541s) stopped
T01 >> 1462359476.85624409 Redistribute coefs (2.16675s) started
T01 << 1462359476.85905409 Redistribute coefs (2.16956s) stopped
T01 >> 1462359476.85910010 Send coefs to domains (36.14935s) started
T01 << 1462359476.91194701 Send coefs to domains (36.20220s) stopped
T01 << 1462359476.91227889 Blacs Orbital Layouts (1964.82414s) stopped
T01 >> 1462359476.91233110 Calculate projections (1782.92435s) started
T01 << 1462359479.37251902 Calculate projections (1785.38454s) stopped
T01 << 1462359479.37296009 LCAO eigensolver (5726.35846s) stopped
T01 >> 1462359479.37369204 Density (1410.10871s) started
T01 >> 1462359479.37370491 Pseudo density (1167.38601s) started
T01 >> 1462359479.37420201 Calculate density matrix (1049.13002s) started
T01 << 1462359480.96993494 Calculate density matrix (1050.72575s) stopped
T01 >> 1462359480.97002697 Construct density (116.58221s) started
T01 << 1462359481.15182495 Construct density (116.76400s) stopped
T01 >> 1462359481.15325403 Symmetrize density (0.02945s) started
T01 << 1462359481.15328693 Symmetrize density (0.02948s) stopped
T01 << 1462359481.15374708 Pseudo density (1169.16606s) stopped
T01 >> 1462359481.15376592 Atomic density matrices (161.17163s) started
T01 << 1462359481.40456200 Atomic density matrices (161.42242s) stopped
T01 >> 1462359481.40459895 Multipole moments (2.63383s) started
T01 << 1462359481.40884995 Multipole moments (2.63808s) stopped
T01 >> 1462359481.40887189 Normalize (0.72236s) started
T01 << 1462359481.41000104 Normalize (0.72349s) stopped
T01 >> 1462359481.41003609 Mix (78.14968s) started
T01 << 1462359481.53177595 Mix (78.27142s) stopped
T01 << 1462359481.53186703 Density (1412.26689s) stopped
T01 >> 1462359481.53196311 Hamiltonian (15865.90218s) started
T01 >> 1462359481.53198504 vbar (9.59843s) started
T01 << 1462359481.54682398 vbar (9.61327s) stopped
T01 >> 1462359481.54690909 XC 3D grid (6870.37037s) started
T01 >> 1462359481.72511196 van der Waals (6632.22120s) started
T01 >> 1462359481.76559305 semilocal (1488.94519s) started
T01 << 1462359483.99276590 semilocal (1491.17236s) stopped
T01 >> 1462359484.02411389 redistribute (716.93532s) started
T01 << 1462359484.41046500 redistribute (717.32167s) stopped
T01 >> 1462359484.41053605 libvdwxc nonlocal (4375.84578s) started
T01 << 1462359491.10222101 libvdwxc nonlocal (4382.53747s) stopped
T01 >> 1462359491.10230803 redistribute (717.32171s) started
T01 << 1462359491.76739311 redistribute (717.98679s) stopped
T01 << 1462359491.76946306 van der Waals (6642.26555s) stopped
T01 << 1462359491.94384599 XC 3D grid (6880.76731s) stopped
T01 >> 1462359491.94389796 Poisson (1383.54126s) started
T01 << 1462359493.72820997 Poisson (1385.32558s) stopped
T01 >> 1462359493.72828197 Hartree integrate/restrict (54.46293s) started
T01 << 1462359493.74732494 Hartree integrate/restrict (54.48197s) stopped
T01 >> 1462359493.74737191 Hartree integrate/restrict (54.48200s) started
T01 << 1462359493.81508398 Hartree integrate/restrict (54.54971s) stopped
T01 >> 1462359493.83253503 Atomic (4222.00527s) started
T01 >> 1462359493.84271193 XC Correction (4213.28397s) started
T01 << 1462359500.14799190 XC Correction (4219.58925s) stopped
T01 << 1462359500.15101194 Atomic (4228.32375s) stopped
T01 >> 1462359500.15111303 Communicate (3311.70816s) started
T01 << 1462359504.65645695 Communicate (3316.21351s) stopped
T01 << 1462359504.65647888 Hamiltonian (15889.02670s) stopped
T01 >> 1462359504.65654206 LCAO eigensolver (5726.35847s) started
T01 >> 1462359504.65655494 Potential matrix (185.40509s) started
T01 << 1462359504.92623496 Potential matrix (185.67477s) stopped
T01 >> 1462359504.92630196 DistributedAtomicCorrection (953.31053s) started
T01 << 1462359506.29244900 DistributedAtomicCorrection (954.67668s) stopped
T01 >> 1462359506.29251909 Distribute overlap matrix (836.82156s) started
T01 >> 1462359506.29254007 blocked summation (793.82748s) started
T01 << 1462359507.47590709 blocked summation (795.01085s) stopped
T01 >> 1462359507.47814703 Scalapack redistribute (41.84496s) started
T01 << 1462359507.53566408 Scalapack redistribute (41.90248s) stopped
T01 << 1462359507.53574800 Distribute overlap matrix (838.06479s) stopped
T01 >> 1462359507.53633904 Blacs Orbital Layouts (1964.82415s) started
T01 >> 1462359507.53784490 General diagonalize (1925.30545s) started
T01 << 1462359510.22353697 General diagonalize (1927.99114s) stopped
T01 >> 1462359510.22360206 Redistribute coefs (2.16959s) started
T01 << 1462359510.22692704 Redistribute coefs (2.17292s) stopped
T01 >> 1462359510.22697592 Send coefs to domains (36.20224s) started
T01 << 1462359510.27933192 Send coefs to domains (36.25460s) stopped
T01 << 1462359510.27967811 Blacs Orbital Layouts (1967.56749s) stopped
T01 >> 1462359510.27973604 Calculate projections (1785.38459s) started
T01 << 1462359512.73990893 Calculate projections (1787.84477s) stopped
T01 << 1462359512.74034500 LCAO eigensolver (5734.44228s) stopped
T01 >> 1462359512.74107289 Density (1412.26691s) started
T01 >> 1462359512.74108601 Pseudo density (1169.16607s) started
T01 >> 1462359512.74158692 Calculate density matrix (1050.72580s) started
T01 << 1462359514.33638000 Calculate density matrix (1052.32059s) stopped
T01 >> 1462359514.33646798 Construct density (116.76403s) started
T01 << 1462359514.51837492 Construct density (116.94594s) stopped
T01 >> 1462359514.52065992 Symmetrize density (0.02949s) started
T01 << 1462359514.52069306 Symmetrize density (0.02953s) stopped
T01 << 1462359514.52114296 Pseudo density (1170.94613s) stopped
T01 >> 1462359514.52116203 Atomic density matrices (161.42245s) started
T01 << 1462359514.77072001 Atomic density matrices (161.67201s) stopped
T01 >> 1462359514.77075791 Multipole moments (2.63809s) started
T01 << 1462359514.77501988 Multipole moments (2.64236s) stopped
T01 >> 1462359514.77504206 Normalize (0.72352s) started
T01 << 1462359514.77617192 Normalize (0.72465s) stopped
T01 >> 1462359514.77620697 Mix (78.27151s) started
T01 << 1462359514.89887309 Mix (78.39418s) stopped
T01 << 1462359514.89897609 Density (1414.42481s) stopped
T01 >> 1462359514.89907098 Hamiltonian (15889.02671s) started
T01 >> 1462359514.89908910 vbar (9.61332s) started
T01 << 1462359514.91365004 vbar (9.62788s) stopped
T01 >> 1462359514.91373992 XC 3D grid (6880.76734s) started
T01 >> 1462359515.09068203 van der Waals (6642.26564s) started
T01 >> 1462359515.13212705 semilocal (1491.17245s) started
T01 << 1462359517.35525894 semilocal (1493.39558s) stopped
T01 >> 1462359517.38750291 redistribute (717.98693s) started
T01 << 1462359517.76208711 redistribute (718.36151s) stopped
T01 >> 1462359517.76215696 libvdwxc nonlocal (4382.53752s) started
T01 << 1462359524.43499708 libvdwxc nonlocal (4389.21037s) stopped
T01 >> 1462359524.43507504 redistribute (718.36155s) started
T01 << 1462359525.09775209 redistribute (719.02423s) stopped
T01 << 1462359525.09960294 van der Waals (6652.27456s) stopped
T01 << 1462359525.27790093 XC 3D grid (6891.13150s) stopped
T01 >> 1462359525.27796507 Poisson (1385.32563s) started
T01 << 1462359526.48224807 Poisson (1386.52991s) stopped
T01 >> 1462359526.48234510 Hartree integrate/restrict (54.54976s) started
T01 << 1462359526.50138688 Hartree integrate/restrict (54.56880s) stopped
T01 >> 1462359526.50148511 Hartree integrate/restrict (54.56887s) started
T01 << 1462359526.56298399 Hartree integrate/restrict (54.63037s) stopped
T01 >> 1462359526.58199811 Atomic (4228.32377s) started
T01 >> 1462359526.59208393 XC Correction (4219.58928s) started
T01 << 1462359532.90475988 XC Correction (4225.90195s) stopped
T01 << 1462359532.90777802 Atomic (4234.64955s) stopped
T01 >> 1462359532.90787911 Communicate (3316.21352s) started
T01 << 1462359537.55470800 Communicate (3320.86035s) stopped
T01 << 1462359537.55473089 Hamiltonian (15911.68237s) stopped
T01 >> 1462359537.55479407 LCAO eigensolver (5734.44230s) started
T01 >> 1462359537.55480695 Potential matrix (185.67480s) started
T01 << 1462359537.82310295 Potential matrix (185.94310s) stopped
T01 >> 1462359537.82316899 DistributedAtomicCorrection (954.67670s) started
T01 << 1462359539.19111800 DistributedAtomicCorrection (956.04465s) stopped
T01 >> 1462359539.19118905 Distribute overlap matrix (838.06480s) started
T01 >> 1462359539.19121099 blocked summation (795.01089s) started
T01 << 1462359540.31021500 blocked summation (796.12989s) stopped
T01 >> 1462359540.31188107 Scalapack redistribute (41.90252s) started
T01 << 1462359540.37040091 Scalapack redistribute (41.96104s) stopped
T01 << 1462359540.37048292 Distribute overlap matrix (839.24409s) stopped
T01 >> 1462359540.37111211 Blacs Orbital Layouts (1967.56751s) started
T01 >> 1462359540.37262988 General diagonalize (1927.99118s) started
T01 << 1462359543.04260993 General diagonalize (1930.66116s) stopped
T01 >> 1462359543.04267812 Redistribute coefs (2.17296s) started
T01 << 1462359543.04649901 Redistribute coefs (2.17678s) stopped
T01 >> 1462359543.04654503 Send coefs to domains (36.25465s) started
T01 << 1462359543.09843302 Send coefs to domains (36.30653s) stopped
T01 << 1462359543.09876800 Blacs Orbital Layouts (1970.29517s) stopped
T01 >> 1462359543.09881806 Calculate projections (1787.84482s) started
T01 << 1462359545.55908394 Calculate projections (1790.30509s) stopped
T01 << 1462359545.55935907 LCAO eigensolver (5742.44686s) stopped
T01 << 1462359545.56009197 SCF-cycle (23069.15163s) stopped
T01 >> 1462359546.46424294 Force calculation (1336.70142s) started
T01 >> 1462359546.46430492 LCAO forces (827.89054s) started
T01 >> 1462359546.46465707 Initial (0.00098s) started
T01 << 1462359546.46466899 Initial (0.00099s) stopped
T01 >> 1462359546.46903610 Get density matrix (161.81336s) started
T01 << 1462359547.07470298 Get density matrix (162.41903s) stopped
T01 >> 1462359547.07476902 Potential (59.54549s) started
T01 << 1462359548.50999403 Potential (60.98072s) stopped
T01 >> 1462359548.51004601 Get density matrix (162.41907s) started
T01 << 1462359551.78279901 Get density matrix (165.69182s) stopped
T01 >> 1462359551.78292298 Prepare TCI loop (80.94252s) started
T01 >> 1462359551.78339195 Get neighbors (75.86174s) started
T01 << 1462359553.61835289 Get neighbors (77.69670s) stopped
T01 >> 1462359553.61857390 broadcast dH (5.05056s) started
T01 << 1462359553.62879395 broadcast dH (5.06078s) stopped
T01 << 1462359553.62884092 Prepare TCI loop (82.78844s) stopped
T01 >> 1462359553.62885904 Not so complicated loop (116.28045s) started
T01 << 1462359556.34484005 Not so complicated loop (118.99643s) stopped
T01 >> 1462359556.47280312 Complicated loop (403.37652s) started
T01 << 1462359566.09528589 Complicated loop (412.99900s) stopped
T01 >> 1462359566.11041188 Wait for sum (0.00242s) started
T01 << 1462359566.11045909 Wait for sum (0.00247s) stopped
T01 << 1462359566.11047196 LCAO forces (847.53671s) stopped
T01 << 1462359578.49776697 Force calculation (1368.73494s) stopped
T01 >> 1462359578.51563096 Initialization (2207.39365s) started
T01 << 1462359578.51583290 Initialization (2207.39385s) stopped
T01 >> 1462359578.51615310 Initialization (2207.39387s) started
T01 << 1462359578.51628804 Initialization (2207.39400s) stopped
T01 >> 1462359578.51642609 Initialization (2207.39402s) started
T01 << 1462359578.51656008 Initialization (2207.39415s) stopped
T01 >> 1462359598.83527708 Initialization (2207.39417s) started
T01 >> 1462359598.91520905 Basic WFS set positions (4.28444s) started
T01 >> 1462359598.91523600 Redistribute (0.09062s) started
T01 << 1462359598.91538310 Redistribute (0.09076s) stopped
T01 << 1462359599.00991893 Basic WFS set positions (4.37915s) stopped
T01 >> 1462359599.00995302 Basis functions set positions (18.18033s) started
T01 << 1462359599.42741108 Basis functions set positions (18.59779s) stopped
T01 >> 1462359599.42884111 TCI: Calculate S, T, P (661.44840s) started
T01 << 1462359614.71149802 TCI: Calculate S, T, P (676.73105s) stopped
T01 >> 1462359614.71161795 blocked summation (176.49739s) started
T01 << 1462359618.79596305 blocked summation (180.58173s) stopped
T01 >> 1462359618.79786801 Scalapack redistribute (10.59408s) started
T01 << 1462359618.85704708 Scalapack redistribute (10.65326s) stopped
T01 >> 1462359618.85740495 blocked summation (180.58182s) started
T01 << 1462359619.02212000 blocked summation (180.74653s) stopped
T01 >> 1462359619.02394795 Scalapack redistribute (10.65330s) started
T01 << 1462359619.22175193 Scalapack redistribute (10.85110s) stopped
T01 >> 1462359619.22324300 Redistribute (0.08860s) started
T01 << 1462359619.22418809 Redistribute (0.08954s) stopped
T01 >> 1462359620.14707708 Redistribute (0.08956s) started
T01 << 1462359620.14805794 Redistribute (0.09054s) stopped
T01 >> 1462359620.15863705 LCAO WFS Initialize (1290.46448s) started
T01 >> 1462359620.15866995 Density initialize from wavefunctions (52.44621s) started
T01 >> 1462359620.15907502 Calculate density matrix (30.32475s) started
T01 << 1462359620.85941005 Calculate density matrix (31.02509s) stopped
T01 >> 1462359620.85947394 Construct density (7.54234s) started
T01 << 1462359621.04611993 Construct density (7.72899s) stopped
T01 >> 1462359621.04771805 Symmetrize density (0.00187s) started
T01 << 1462359621.04775095 Symmetrize density (0.00190s) stopped
T01 << 1462359621.38862610 Density initialize from wavefunctions (53.67617s) stopped
T01 >> 1462359621.38920808 Hamiltonian (1237.79784s) started
T01 >> 1462359621.38924909 vbar (0.64914s) started
T01 << 1462359621.40410590 vbar (0.66400s) stopped
T01 >> 1462359621.40417504 XC 3D grid (452.77814s) started
T01 >> 1462359621.58553600 van der Waals (437.08239s) started
T01 >> 1462359621.62558699 semilocal (97.53363s) started
T01 << 1462359623.83831906 semilocal (99.74636s) stopped
T01 >> 1462359623.86977005 redistribute (46.76287s) started
T01 << 1462359624.26060796 redistribute (47.15371s) stopped
T01 >> 1462359624.26068211 libvdwxc nonlocal (289.45227s) started
T01 << 1462359630.96280098 libvdwxc nonlocal (296.15438s) stopped
T01 >> 1462359630.96288204 redistribute (47.15375s) started
T01 << 1462359631.60779810 redistribute (47.79866s) stopped
T01 << 1462359631.60933900 van der Waals (447.10619s) stopped
T01 << 1462359631.79007006 XC 3D grid (463.16403s) stopped
T01 >> 1462359631.79011798 Poisson (207.67155s) started
T01 << 1462359636.47645593 Poisson (212.35789s) stopped
T01 >> 1462359636.47653890 Hartree integrate/restrict (3.54904s) started
T01 << 1462359636.49555707 Hartree integrate/restrict (3.56806s) stopped
T01 >> 1462359636.49561405 Hartree integrate/restrict (3.56810s) started
T01 << 1462359636.55644703 Hartree integrate/restrict (3.62893s) stopped
T01 >> 1462359636.57953596 Atomic (291.52631s) started
T01 >> 1462359636.58994794 XC Correction (290.93865s) started
T01 << 1462359643.11040807 XC Correction (297.45911s) stopped
T01 << 1462359643.11347508 Atomic (298.06025s) stopped
T01 >> 1462359643.11369300 Communicate (280.66246s) started
T01 << 1462359649.44224405 Communicate (286.99101s) stopped
T01 << 1462359649.44226789 Hamiltonian (1265.85090s) stopped
T01 << 1462359649.44232202 LCAO WFS Initialize (1319.74817s) stopped
T01 << 1462359649.45433903 Initialization (2258.01323s) stopped
T01 >> 1462359649.47909594 SCF-cycle (23069.15164s) started
T01 >> 1462359649.47913694 LCAO eigensolver (5742.44688s) started
T01 >> 1462359649.47914910 Potential matrix (185.94313s) started
T01 << 1462359649.74786711 Potential matrix (186.21185s) stopped
T01 >> 1462359649.74793506 DistributedAtomicCorrection (956.04468s) started
T01 << 1462359651.09846997 DistributedAtomicCorrection (957.39522s) stopped
T01 >> 1462359651.09853601 Distribute overlap matrix (839.24410s) started
T01 >> 1462359651.09855890 blocked summation (796.12993s) started
T01 << 1462359652.24753308 blocked summation (797.27890s) stopped
T01 >> 1462359652.25001311 Scalapack redistribute (41.96107s) started
T01 << 1462359652.30628991 Scalapack redistribute (42.01735s) stopped
T01 << 1462359652.30636907 Distribute overlap matrix (840.45193s) stopped
T01 >> 1462359652.30700493 Blacs Orbital Layouts (1970.29518s) started
T01 >> 1462359652.30856204 General diagonalize (1930.66120s) started
T01 << 1462359655.00467706 General diagonalize (1933.35731s) stopped
T01 >> 1462359655.00472808 Redistribute coefs (2.17682s) started
T01 << 1462359655.00760007 Redistribute coefs (2.17969s) stopped
T01 >> 1462359655.00764894 Send coefs to domains (36.30658s) started
T01 << 1462359655.06052494 Send coefs to domains (36.35945s) stopped
T01 << 1462359655.06092095 Blacs Orbital Layouts (1973.04910s) stopped
T01 >> 1462359655.06095290 Calculate projections (1790.30515s) started
T01 << 1462359657.52106190 Calculate projections (1792.76525s) stopped
T01 << 1462359657.52149892 LCAO eigensolver (5750.48924s) stopped
T01 >> 1462359657.52214599 Density (1414.42483s) started
T01 >> 1462359657.52215910 Pseudo density (1170.94614s) started
T01 >> 1462359657.52260900 Calculate density matrix (1052.32063s) started
T01 << 1462359659.10389304 Calculate density matrix (1053.90192s) stopped
T01 >> 1462359659.10395908 Construct density (116.94597s) started
T01 << 1462359659.28709507 Construct density (117.12910s) stopped
T01 >> 1462359659.28850794 Symmetrize density (0.02954s) started
T01 << 1462359659.28854108 Symmetrize density (0.02957s) stopped
T01 << 1462359659.28900290 Pseudo density (1172.71299s) stopped
T01 >> 1462359659.28902197 Atomic density matrices (161.67203s) started
T01 << 1462359659.53582001 Atomic density matrices (161.91883s) stopped
T01 >> 1462359659.53585696 Multipole moments (2.64237s) started
T01 << 1462359659.54016209 Multipole moments (2.64668s) stopped
T01 >> 1462359659.54018402 Normalize (0.72467s) started
T01 << 1462359659.54126310 Normalize (0.72575s) stopped
T01 >> 1462359659.54129791 Mix (78.39427s) started
T01 << 1462359659.64694905 Mix (78.49992s) stopped
T01 << 1462359659.64702106 Density (1416.54971s) stopped
T01 >> 1462359659.64711905 Hamiltonian (15911.68238s) started
T01 >> 1462359659.64714098 vbar (9.62793s) started
T01 << 1462359659.66252708 vbar (9.64332s) stopped
T01 >> 1462359659.66258907 XC 3D grid (6891.13155s) started
T01 >> 1462359659.84366608 van der Waals (6652.27466s) started
T01 >> 1462359659.88422108 semilocal (1493.39566s) started
T01 << 1462359662.10047293 semilocal (1495.61192s) stopped
T01 >> 1462359662.13154793 redistribute (719.02432s) started
T01 << 1462359662.52571988 redistribute (719.41849s) stopped
T01 >> 1462359662.52578807 libvdwxc nonlocal (4389.21042s) started
T01 << 1462359669.23392606 libvdwxc nonlocal (4395.91855s) stopped
T01 >> 1462359669.23399210 redistribute (719.41853s) started
T01 << 1462359669.88818312 redistribute (720.07272s) stopped
T01 << 1462359669.88945508 van der Waals (6662.32045s) stopped
T01 << 1462359670.07126594 XC 3D grid (6901.54023s) stopped
T01 >> 1462359670.07132411 Poisson (1386.52999s) started
T01 << 1462359672.42832088 Poisson (1388.88698s) stopped
T01 >> 1462359672.42843890 Hartree integrate/restrict (54.63040s) started
T01 << 1462359672.44715405 Hartree integrate/restrict (54.64912s) stopped
T01 >> 1462359672.44729304 Hartree integrate/restrict (54.64922s) started
T01 << 1462359672.51438904 Hartree integrate/restrict (54.71631s) stopped
T01 >> 1462359672.53306007 Atomic (4234.64957s) started
T01 >> 1462359672.54312706 XC Correction (4225.90198s) started
T01 << 1462359679.08699703 XC Correction (4232.44585s) stopped
T01 << 1462359679.08996892 Atomic (4241.20648s) stopped
T01 >> 1462359679.09007001 Communicate (3320.86037s) started
T01 << 1462359685.07720399 Communicate (3326.84750s) stopped
T01 << 1462359685.07722807 Hamiltonian (15937.11249s) stopped
T01 >> 1462359685.07729101 LCAO eigensolver (5750.48926s) started
T01 >> 1462359685.07730293 Potential matrix (186.21189s) started
T01 << 1462359685.34697890 Potential matrix (186.48156s) stopped
T01 >> 1462359685.34704709 DistributedAtomicCorrection (957.39524s) started
T01 << 1462359686.69412208 DistributedAtomicCorrection (958.74232s) stopped
T01 >> 1462359686.69418812 Distribute overlap matrix (840.45195s) started
T01 >> 1462359686.69420910 blocked summation (797.27894s) started
T01 << 1462359687.84802389 blocked summation (798.43276s) stopped
T01 >> 1462359687.84999609 Scalapack redistribute (42.01738s) started
T01 << 1462359687.90689802 Scalapack redistribute (42.07428s) stopped
T01 << 1462359687.90697598 Distribute overlap matrix (841.66473s) stopped
T01 >> 1462359687.90757608 Blacs Orbital Layouts (1973.04912s) started
T01 >> 1462359687.90975189 General diagonalize (1933.35735s) started
T01 << 1462359690.60090804 General diagonalize (1936.04851s) stopped
T01 >> 1462359690.60097289 Redistribute coefs (2.17972s) started
T01 << 1462359690.60371208 Redistribute coefs (2.18246s) stopped
T01 >> 1462359690.60379505 Send coefs to domains (36.35950s) started
T01 << 1462359690.65646791 Send coefs to domains (36.41217s) stopped
T01 << 1462359690.65705609 Blacs Orbital Layouts (1975.79860s) stopped
T01 >> 1462359690.65711403 Calculate projections (1792.76531s) started
T01 << 1462359693.11727905 Calculate projections (1795.22548s) stopped
T01 << 1462359693.11755800 LCAO eigensolver (5758.52953s) stopped
T01 >> 1462359693.11820889 Density (1416.54972s) started
T01 >> 1462359693.11822200 Pseudo density (1172.71300s) started
T01 >> 1462359693.11867309 Calculate density matrix (1053.90196s) started
T01 << 1462359694.69512200 Calculate density matrix (1055.47841s) stopped
T01 >> 1462359694.69519305 Construct density (117.12913s) started
T01 << 1462359694.87768006 Construct density (117.31162s) stopped
T01 >> 1462359694.87907910 Symmetrize density (0.02958s) started
T01 << 1462359694.87911296 Symmetrize density (0.02962s) stopped
T01 << 1462359694.87956095 Pseudo density (1174.47434s) stopped
T01 >> 1462359694.87958002 Atomic density matrices (161.91886s) started
T01 << 1462359695.12753105 Atomic density matrices (162.16681s) stopped
T01 >> 1462359695.12756896 Multipole moments (2.64669s) started
T01 << 1462359695.13185191 Multipole moments (2.65097s) stopped
T01 >> 1462359695.13187408 Normalize (0.72578s) started
T01 << 1462359695.13296294 Normalize (0.72687s) stopped
T01 >> 1462359695.13299894 Mix (78.49999s) started
T01 << 1462359695.24287701 Mix (78.60987s) stopped
T01 << 1462359695.24300098 Density (1418.67451s) stopped
T01 >> 1462359695.24310994 Hamiltonian (15937.11251s) started
T01 >> 1462359695.24313092 vbar (9.64336s) started
T01 << 1462359695.25823593 vbar (9.65846s) stopped
T01 >> 1462359695.25829911 XC 3D grid (6901.54028s) started
T01 >> 1462359695.43630004 van der Waals (6662.32050s) started
T01 >> 1462359695.47771406 semilocal (1495.61200s) started
T01 << 1462359697.69264889 semilocal (1497.82693s) stopped
T01 >> 1462359697.72359610 redistribute (720.07277s) started
T01 << 1462359698.10862708 redistribute (720.45780s) stopped
T01 >> 1462359698.10869694 libvdwxc nonlocal (4395.91861s) started
T01 << 1462359704.80780697 libvdwxc nonlocal (4402.61772s) stopped
T01 >> 1462359704.80788112 redistribute (720.45784s) started
T01 << 1462359705.46201992 redistribute (721.11198s) stopped
T01 << 1462359705.46331000 van der Waals (6672.34751s) stopped
T01 << 1462359705.64806199 XC 3D grid (6911.93004s) stopped
T01 >> 1462359705.64810801 Poisson (1388.88708s) started
T01 << 1462359707.42919707 Poisson (1390.66816s) stopped
T01 >> 1462359707.42927790 Hartree integrate/restrict (54.71635s) started
T01 << 1462359707.44834399 Hartree integrate/restrict (54.73541s) stopped
T01 >> 1462359707.44841003 Hartree integrate/restrict (54.73546s) started
T01 << 1462359707.51587391 Hartree integrate/restrict (54.80292s) stopped
T01 >> 1462359707.53311992 Atomic (4241.20649s) started
T01 >> 1462359707.54309297 XC Correction (4232.44587s) started
T01 << 1462359713.81754994 XC Correction (4238.72033s) stopped
T01 << 1462359713.82057500 Atomic (4247.49395s) stopped
T01 >> 1462359713.82067704 Communicate (3326.84752s) started
T01 << 1462359719.41991496 Communicate (3332.44675s) stopped
T01 << 1462359719.41993904 Hamiltonian (15961.28934s) stopped
T01 >> 1462359719.42000294 LCAO eigensolver (5758.52955s) started
T01 >> 1462359719.42001605 Potential matrix (186.48160s) started
T01 << 1462359719.68866992 Potential matrix (186.75025s) stopped
T01 >> 1462359719.68873692 DistributedAtomicCorrection (958.74235s) started
T01 << 1462359721.03643394 DistributedAtomicCorrection (960.09004s) stopped
T01 >> 1462359721.03649998 Distribute overlap matrix (841.66475s) started
T01 >> 1462359721.03652096 blocked summation (798.43280s) started
T01 << 1462359722.21025109 blocked summation (799.60653s) stopped
T01 >> 1462359722.21221089 Scalapack redistribute (42.07432s) started
T01 << 1462359722.27289701 Scalapack redistribute (42.13501s) stopped
T01 << 1462359722.27297306 Distribute overlap matrix (842.90122s) stopped
T01 >> 1462359722.27356005 Blacs Orbital Layouts (1975.79862s) started
T01 >> 1462359722.27510905 General diagonalize (1936.04855s) started
T01 << 1462359724.95667505 General diagonalize (1938.73011s) stopped
T01 >> 1462359724.95674109 Redistribute coefs (2.18250s) started
T01 << 1462359724.95958591 Redistribute coefs (2.18534s) stopped
T01 >> 1462359724.95963311 Send coefs to domains (36.41221s) started
T01 << 1462359725.01269698 Send coefs to domains (36.46527s) stopped
T01 << 1462359725.01311398 Blacs Orbital Layouts (1978.53817s) stopped
T01 >> 1462359725.01317310 Calculate projections (1795.22554s) started
T01 << 1462359727.47333097 Calculate projections (1797.68569s) stopped
T01 << 1462359727.47360802 LCAO eigensolver (5766.58315s) stopped
T01 >> 1462359727.47431707 Density (1418.67454s) started
T01 >> 1462359727.47433090 Pseudo density (1174.47435s) started
T01 >> 1462359727.47477508 Calculate density matrix (1055.47845s) started
T01 << 1462359729.06436300 Calculate density matrix (1057.06804s) stopped
T01 >> 1462359729.06444693 Construct density (117.31165s) started
T01 << 1462359729.24709511 Construct density (117.49430s) stopped
T01 >> 1462359729.24849796 Symmetrize density (0.02963s) started
T01 << 1462359729.24853301 Symmetrize density (0.02966s) stopped
T01 << 1462359729.24899411 Pseudo density (1176.24902s) stopped
T01 >> 1462359729.24901390 Atomic density matrices (162.16683s) started
T01 << 1462359729.49572992 Atomic density matrices (162.41355s) stopped
T01 >> 1462359729.49576712 Multipole moments (2.65099s) started
T01 << 1462359729.50003505 Multipole moments (2.65526s) stopped
T01 >> 1462359729.50005794 Normalize (0.72689s) started
T01 << 1462359729.50112891 Normalize (0.72796s) stopped
T01 >> 1462359729.50116491 Mix (78.60999s) started
T01 << 1462359729.61460805 Mix (78.72343s) stopped
T01 << 1462359729.61466408 Density (1420.81488s) stopped
T01 >> 1462359729.61475611 Hamiltonian (15961.28935s) started
T01 >> 1462359729.61477399 vbar (9.65849s) started
T01 << 1462359729.62953305 vbar (9.67325s) stopped
T01 >> 1462359729.62960792 XC 3D grid (6911.93007s) started
T01 >> 1462359729.80725288 van der Waals (6672.34754s) started
T01 >> 1462359729.84824800 semilocal (1497.82705s) started
T01 << 1462359732.07684898 semilocal (1500.05565s) stopped
T01 >> 1462359732.10777092 redistribute (721.11203s) started
T01 << 1462359732.49326611 redistribute (721.49752s) stopped
T01 >> 1462359732.49333310 libvdwxc nonlocal (4402.61776s) started
T01 << 1462359739.18238592 libvdwxc nonlocal (4409.30682s) stopped
T01 >> 1462359739.18246102 redistribute (721.49756s) started
T01 << 1462359739.83641911 redistribute (722.15152s) stopped
T01 << 1462359739.83773994 van der Waals (6682.37803s) stopped
T01 << 1462359740.02338409 XC 3D grid (6922.32385s) stopped
T01 >> 1462359740.02343392 Poisson (1390.66823s) started
T01 << 1462359742.38640404 Poisson (1393.03120s) stopped
T01 >> 1462359742.38647509 Hartree integrate/restrict (54.80296s) started
T01 << 1462359742.40563297 Hartree integrate/restrict (54.82212s) stopped
T01 >> 1462359742.40568590 Hartree integrate/restrict (54.82215s) started
T01 << 1462359742.46610999 Hartree integrate/restrict (54.88258s) stopped
T01 >> 1462359742.48560500 Atomic (4247.49396s) started
T01 >> 1462359742.49575305 XC Correction (4238.72035s) started
T01 << 1462359748.82298493 XC Correction (4245.04758s) stopped
T01 << 1462359748.82598710 Atomic (4253.83435s) stopped
T01 >> 1462359748.82608795 Communicate (3332.44677s) started
T01 << 1462359753.82964492 Communicate (3337.45033s) stopped
T01 << 1462359753.82966900 Hamiltonian (15985.50426s) stopped
T01 >> 1462359753.82973504 LCAO eigensolver (5766.58317s) started
T01 >> 1462359753.82974792 Potential matrix (186.75028s) started
T01 << 1462359754.09928012 Potential matrix (187.01982s) stopped
T01 >> 1462359754.09934711 DistributedAtomicCorrection (960.09007s) started
T01 << 1462359755.44704509 DistributedAtomicCorrection (961.43777s) stopped
T01 >> 1462359755.44711208 Distribute overlap matrix (842.90123s) started
T01 >> 1462359755.44713306 blocked summation (799.60657s) started
T01 << 1462359756.60967398 blocked summation (800.76911s) stopped
T01 >> 1462359756.61213994 Scalapack redistribute (42.13504s) started
T01 << 1462359756.66911006 Scalapack redistribute (42.19201s) stopped
T01 << 1462359756.66918707 Distribute overlap matrix (844.12331s) stopped
T01 >> 1462359756.66981292 Blacs Orbital Layouts (1978.53819s) started
T01 >> 1462359756.67134595 General diagonalize (1938.73015s) started
T01 << 1462359759.37263894 General diagonalize (1941.43144s) stopped
T01 >> 1462359759.37270904 Redistribute coefs (2.18538s) started
T01 << 1462359759.37554502 Redistribute coefs (2.18821s) stopped
T01 >> 1462359759.37562704 Send coefs to domains (36.46532s) started
T01 << 1462359759.42889404 Send coefs to domains (36.51859s) stopped
T01 << 1462359759.42926407 Blacs Orbital Layouts (1981.29764s) stopped
T01 >> 1462359759.42932701 Calculate projections (1797.68575s) started
T01 << 1462359761.88961911 Calculate projections (1800.14604s) stopped
T01 << 1462359761.89005899 LCAO eigensolver (5774.64349s) stopped
T01 >> 1462359761.89077997 Density (1420.81490s) started
T01 >> 1462359761.89079404 Pseudo density (1176.24903s) started
T01 >> 1462359761.89123106 Calculate density matrix (1057.06808s) started
T01 << 1462359763.47196388 Calculate density matrix (1058.64881s) stopped
T01 >> 1462359763.47204900 Construct density (117.49432s) started
T01 << 1462359763.65507293 Construct density (117.67735s) stopped
T01 >> 1462359763.65649104 Symmetrize density (0.02967s) started
T01 << 1462359763.65652394 Symmetrize density (0.02971s) stopped
T01 << 1462359763.65698409 Pseudo density (1178.01522s) stopped
T01 >> 1462359763.65700412 Atomic density matrices (162.41357s) started
T01 << 1462359763.90289807 Atomic density matrices (162.65947s) stopped
T01 >> 1462359763.90293598 Multipole moments (2.65527s) started
T01 << 1462359763.90719390 Multipole moments (2.65953s) stopped
T01 >> 1462359763.90721607 Normalize (0.72799s) started
T01 << 1462359763.90828896 Normalize (0.72906s) stopped
T01 >> 1462359763.90832400 Mix (78.72349s) started
T01 << 1462359764.02604508 Mix (78.84121s) stopped
T01 << 1462359764.02617311 Density (1422.95029s) stopped
T01 >> 1462359764.02627611 Hamiltonian (15985.50428s) started
T01 >> 1462359764.02629709 vbar (9.67330s) started
T01 << 1462359764.04078698 vbar (9.68778s) stopped
T01 >> 1462359764.04086208 XC 3D grid (6922.32389s) started
T01 >> 1462359764.21703506 van der Waals (6682.37808s) started
T01 >> 1462359764.25863910 semilocal (1500.05574s) started
T01 << 1462359766.47468805 semilocal (1502.27179s) stopped
T01 >> 1462359766.50484109 redistribute (722.15156s) started
T01 << 1462359766.89552212 redistribute (722.54224s) stopped
T01 >> 1462359766.89558792 libvdwxc nonlocal (4409.30687s) started
T01 << 1462359773.58353710 libvdwxc nonlocal (4415.99482s) stopped
T01 >> 1462359773.58359599 redistribute (722.54228s) started
T01 << 1462359774.24472189 redistribute (723.20340s) stopped
T01 << 1462359774.24630189 van der Waals (6692.40735s) stopped
T01 << 1462359774.42401600 XC 3D grid (6932.70704s) stopped
T01 >> 1462359774.42408490 Poisson (1393.03125s) started
T01 << 1462359776.77872491 Poisson (1395.38589s) stopped
T01 >> 1462359776.77884412 Hartree integrate/restrict (54.88263s) started
T01 << 1462359776.79778695 Hartree integrate/restrict (54.90157s) stopped
T01 >> 1462359776.79789805 Hartree integrate/restrict (54.90165s) started
T01 << 1462359776.86027002 Hartree integrate/restrict (54.96402s) stopped
T01 >> 1462359776.88302708 Atomic (4253.83436s) started
T01 >> 1462359776.89312100 XC Correction (4245.04761s) started
T01 << 1462359783.24356294 XC Correction (4251.39805s) stopped
T01 << 1462359783.24660397 Atomic (4260.19794s) stopped
T01 >> 1462359783.24671102 Communicate (3337.45034s) started
T01 << 1462359788.02762508 Communicate (3342.23126s) stopped
T01 << 1462359788.02765107 Hamiltonian (16009.50565s) stopped
T01 >> 1462359788.02771497 LCAO eigensolver (5774.64351s) started
T01 >> 1462359788.02772689 Potential matrix (187.01985s) started
T01 << 1462359788.29822993 Potential matrix (187.29035s) stopped
T01 >> 1462359788.29829693 DistributedAtomicCorrection (961.43780s) started
T01 << 1462359789.64772892 DistributedAtomicCorrection (962.78723s) stopped
T01 >> 1462359789.64779496 Distribute overlap matrix (844.12332s) started
T01 >> 1462359789.64781594 blocked summation (800.76915s) started
T01 << 1462359790.80134296 blocked summation (801.92268s) stopped
T01 >> 1462359790.80278397 Scalapack redistribute (42.19205s) started
T01 << 1462359790.86128306 Scalapack redistribute (42.25054s) stopped
T01 << 1462359790.86136198 Distribute overlap matrix (845.33688s) stopped
T01 >> 1462359790.86195207 Blacs Orbital Layouts (1981.29766s) started
T01 >> 1462359790.86414695 General diagonalize (1941.43148s) started
T01 << 1462359793.55223489 General diagonalize (1944.11957s) stopped
T01 >> 1462359793.55230188 Redistribute coefs (2.18825s) started
T01 << 1462359793.55562901 Redistribute coefs (2.19158s) stopped
T01 >> 1462359793.55567908 Send coefs to domains (36.51863s) started
T01 << 1462359793.60745192 Send coefs to domains (36.57040s) stopped
T01 << 1462359793.60799599 Blacs Orbital Layouts (1984.04370s) stopped
T01 >> 1462359793.60805106 Calculate projections (1800.14610s) started
T01 << 1462359796.06837606 Calculate projections (1802.60643s) stopped
T01 << 1462359796.06865311 LCAO eigensolver (5782.68445s) stopped
T01 >> 1462359796.06938195 Density (1422.95031s) started
T01 >> 1462359796.06939602 Pseudo density (1178.01524s) started
T01 >> 1462359796.06984711 Calculate density matrix (1058.64886s) started
T01 << 1462359797.65614009 Calculate density matrix (1060.23515s) stopped
T01 >> 1462359797.65622807 Construct density (117.67737s) started
T01 << 1462359797.83877707 Construct density (117.85992s) stopped
T01 >> 1462359797.84106588 Symmetrize density (0.02972s) started
T01 << 1462359797.84109998 Symmetrize density (0.02975s) stopped
T01 << 1462359797.84155107 Pseudo density (1179.78739s) stopped
T01 >> 1462359797.84156990 Atomic density matrices (162.65949s) started
T01 << 1462359798.08713102 Atomic density matrices (162.90505s) stopped
T01 >> 1462359798.08716798 Multipole moments (2.65954s) started
T01 << 1462359798.09140396 Multipole moments (2.66378s) stopped
T01 >> 1462359798.09142590 Normalize (0.72909s) started
T01 << 1462359798.09248495 Normalize (0.73015s) stopped
T01 >> 1462359798.09252000 Mix (78.84133s) started
T01 << 1462359798.21204305 Mix (78.96085s) stopped
T01 << 1462359798.21216607 Density (1425.09309s) stopped
T01 >> 1462359798.21227098 Hamiltonian (16009.50566s) started
T01 >> 1462359798.21229100 vbar (9.68783s) started
T01 << 1462359798.22733593 vbar (9.70287s) stopped
T01 >> 1462359798.22739697 XC 3D grid (6932.70710s) started
T01 >> 1462359798.40720105 van der Waals (6692.40743s) started
T01 >> 1462359798.44817400 semilocal (1502.27185s) started
T01 << 1462359800.66298294 semilocal (1504.48666s) stopped
T01 >> 1462359800.69298291 redistribute (723.20351s) started
T01 << 1462359801.08309007 redistribute (723.59361s) stopped
T01 >> 1462359801.08315802 libvdwxc nonlocal (4415.99485s) started
T01 << 1462359807.77349591 libvdwxc nonlocal (4422.68519s) stopped
T01 >> 1462359807.77358603 redistribute (723.59365s) started
T01 << 1462359808.45198393 redistribute (724.27205s) stopped
T01 << 1462359808.45349789 van der Waals (6702.45373s) stopped
T01 << 1462359808.62619305 XC 3D grid (6943.10589s) stopped
T01 >> 1462359808.62624311 Poisson (1395.38598s) started
T01 << 1462359810.97407007 Poisson (1397.73381s) stopped
T01 >> 1462359810.97413898 Hartree integrate/restrict (54.96406s) started
T01 << 1462359810.99327707 Hartree integrate/restrict (54.98320s) stopped
T01 >> 1462359810.99335408 Hartree integrate/restrict (54.98325s) started
T01 << 1462359811.05560994 Hartree integrate/restrict (55.04551s) stopped
T01 >> 1462359811.07375789 Atomic (4260.19796s) started
T01 >> 1462359811.08397508 XC Correction (4251.39807s) started
T01 << 1462359817.42097902 XC Correction (4257.73508s) stopped
T01 << 1462359817.42399311 Atomic (4266.54819s) stopped
T01 >> 1462359817.42409706 Communicate (3342.23127s) started
T01 << 1462359822.25719810 Communicate (3347.06437s) stopped
T01 << 1462359822.25722194 Hamiltonian (16033.55062s) stopped
T01 >> 1462359822.25728512 LCAO eigensolver (5782.68447s) started
T01 >> 1462359822.25729799 Potential matrix (187.29039s) started
T01 << 1462359822.52650094 Potential matrix (187.55959s) stopped
T01 >> 1462359822.52656794 DistributedAtomicCorrection (962.78726s) started
T01 << 1462359823.88689399 DistributedAtomicCorrection (964.14758s) stopped
T01 >> 1462359823.88696289 Distribute overlap matrix (845.33690s) started
T01 >> 1462359823.88698411 blocked summation (801.92271s) started
T01 << 1462359825.00923300 blocked summation (803.04496s) stopped
T01 >> 1462359825.01090288 Scalapack redistribute (42.25058s) started
T01 << 1462359825.06902289 Scalapack redistribute (42.30870s) stopped
T01 << 1462359825.06910491 Distribute overlap matrix (846.51904s) stopped
T01 >> 1462359825.06977105 Blacs Orbital Layouts (1984.04372s) started
T01 >> 1462359825.07152796 General diagonalize (1944.11961s) started
T01 << 1462359827.77363110 General diagonalize (1946.82171s) stopped
T01 >> 1462359827.77370000 Redistribute coefs (2.19162s) started
T01 << 1462359827.77749109 Redistribute coefs (2.19541s) stopped
T01 >> 1462359827.77753711 Send coefs to domains (36.57044s) started
T01 << 1462359827.82908797 Send coefs to domains (36.62199s) stopped
T01 << 1462359827.82942891 Blacs Orbital Layouts (1986.80338s) stopped
T01 >> 1462359827.82948399 Calculate projections (1802.60649s) started
T01 << 1462359830.28964496 Calculate projections (1805.06665s) stopped
T01 << 1462359830.28992009 LCAO eigensolver (5790.71710s) stopped
T01 >> 1462359830.29065108 Density (1425.09311s) started
T01 >> 1462359830.29066491 Pseudo density (1179.78741s) started
T01 >> 1462359830.29110503 Calculate density matrix (1060.23519s) started
T01 << 1462359831.87461591 Calculate density matrix (1061.81870s) stopped
T01 >> 1462359831.87470198 Construct density (117.85995s) started
T01 << 1462359832.05724597 Construct density (118.04249s) stopped
T01 >> 1462359832.05953312 Symmetrize density (0.02976s) started
T01 << 1462359832.05956602 Symmetrize density (0.02979s) stopped
T01 << 1462359832.06002307 Pseudo density (1181.55676s) stopped
T01 >> 1462359832.06004310 Atomic density matrices (162.90508s) started
T01 << 1462359832.30654693 Atomic density matrices (163.15158s) stopped
T01 >> 1462359832.30658388 Multipole moments (2.66380s) started
T01 << 1462359832.31083393 Multipole moments (2.66805s) stopped
T01 >> 1462359832.31085706 Normalize (0.73017s) started
T01 << 1462359832.31193304 Normalize (0.73125s) stopped
T01 >> 1462359832.31196904 Mix (78.96097s) started
T01 << 1462359832.43239307 Mix (79.08139s) stopped
T01 << 1462359832.43245602 Density (1427.23492s) stopped
T01 >> 1462359832.43255496 Hamiltonian (16033.55063s) started
T01 >> 1462359832.43257499 vbar (9.70291s) started
T01 << 1462359832.44758511 vbar (9.71792s) stopped
T01 >> 1462359832.44766593 XC 3D grid (6943.10593s) started
T01 >> 1462359832.62445402 van der Waals (6702.45379s) started
T01 >> 1462359832.66548204 semilocal (1504.48675s) started
T01 << 1462359834.87618494 semilocal (1506.69745s) stopped
T01 >> 1462359834.90652609 redistribute (724.27211s) started
T01 << 1462359835.30393100 redistribute (724.66952s) stopped
T01 >> 1462359835.30399895 libvdwxc nonlocal (4422.68525s) started
T01 << 1462359841.97177601 libvdwxc nonlocal (4429.35303s) stopped
T01 >> 1462359841.97184396 redistribute (724.66956s) started
T01 << 1462359842.64500093 redistribute (725.34271s) stopped
T01 << 1462359842.64662004 van der Waals (6712.47595s) stopped
T01 << 1462359842.82105899 XC 3D grid (6953.47932s) stopped
T01 >> 1462359842.82110500 Poisson (1397.73386s) started
T01 << 1462359844.60438609 Poisson (1399.51714s) stopped
T01 >> 1462359844.60446000 Hartree integrate/restrict (55.04554s) started
T01 << 1462359844.62367105 Hartree integrate/restrict (55.06475s) stopped
T01 >> 1462359844.62371707 Hartree integrate/restrict (55.06478s) started
T01 << 1462359844.68573308 Hartree integrate/restrict (55.12680s) stopped
T01 >> 1462359844.70804000 Atomic (4266.54821s) started
T01 >> 1462359844.71836901 XC Correction (4257.73510s) started
T01 << 1462359851.06561708 XC Correction (4264.08235s) stopped
T01 << 1462359851.06864691 Atomic (4272.90882s) stopped
T01 >> 1462359851.06874704 Communicate (3347.06439s) started
T01 << 1462359855.89821410 Communicate (3351.89386s) stopped
T01 << 1462359855.89823890 Hamiltonian (16057.01631s) stopped
T01 >> 1462359855.89830399 LCAO eigensolver (5790.71712s) started
T01 >> 1462359855.89831710 Potential matrix (187.55962s) started
T01 << 1462359856.16839600 Potential matrix (187.82970s) stopped
T01 >> 1462359856.16846299 DistributedAtomicCorrection (964.14761s) started
T01 << 1462359857.53139901 DistributedAtomicCorrection (965.51055s) stopped
T01 >> 1462359857.53146601 Distribute overlap matrix (846.51905s) started
T01 >> 1462359857.53148794 blocked summation (803.04500s) started
T01 << 1462359858.65974212 blocked summation (804.17326s) stopped
T01 >> 1462359858.66141200 Scalapack redistribute (42.30873s) started
T01 << 1462359858.72078109 Scalapack redistribute (42.36810s) stopped
T01 << 1462359858.72086310 Distribute overlap matrix (847.70845s) stopped
T01 >> 1462359858.72145605 Blacs Orbital Layouts (1986.80340s) started
T01 >> 1462359858.72299910 General diagonalize (1946.82176s) started
T01 << 1462359861.43941593 General diagonalize (1949.53817s) stopped
T01 >> 1462359861.43948293 Redistribute coefs (2.19544s) started
T01 << 1462359861.44342303 Redistribute coefs (2.19938s) stopped
T01 >> 1462359861.44347000 Send coefs to domains (36.62204s) started
T01 << 1462359861.49566507 Send coefs to domains (36.67423s) stopped
T01 << 1462359861.49600792 Blacs Orbital Layouts (1989.57795s) stopped
T01 >> 1462359861.49606490 Calculate projections (1805.06670s) started
T01 << 1462359863.95639396 Calculate projections (1807.52703s) stopped
T01 << 1462359863.95667791 LCAO eigensolver (5798.77549s) stopped
T01 >> 1462359863.95739889 Density (1427.23493s) started
T01 >> 1462359863.95741200 Pseudo density (1181.55678s) started
T01 >> 1462359863.95786190 Calculate density matrix (1061.81875s) started
T01 << 1462359865.53803110 Calculate density matrix (1063.39891s) stopped
T01 >> 1462359865.53811789 Construct density (118.04252s) started
T01 << 1462359865.72045302 Construct density (118.22486s) stopped
T01 >> 1462359865.72274899 Symmetrize density (0.02981s) started
T01 << 1462359865.72278094 Symmetrize density (0.02984s) stopped
T01 << 1462359865.72323203 Pseudo density (1183.32260s) stopped
T01 >> 1462359865.72325110 Atomic density matrices (163.15161s) started
T01 << 1462359865.97033691 Atomic density matrices (163.39869s) stopped
T01 >> 1462359865.97037292 Multipole moments (2.66806s) started
T01 << 1462359865.97461104 Multipole moments (2.67230s) stopped
T01 >> 1462359865.97463298 Normalize (0.73127s) started
T01 << 1462359865.97572803 Normalize (0.73237s) stopped
T01 >> 1462359865.97576499 Mix (79.08146s) started
T01 << 1462359866.09643412 Mix (79.20213s) stopped
T01 << 1462359866.09653711 Density (1429.37407s) stopped
T01 >> 1462359866.09663296 Hamiltonian (16057.01632s) started
T01 >> 1462359866.09665799 vbar (9.71796s) started
T01 << 1462359866.11184812 vbar (9.73315s) stopped
T01 >> 1462359866.11191392 XC 3D grid (6953.47936s) started
T01 >> 1462359866.29117703 van der Waals (6712.47603s) started
T01 >> 1462359866.33272600 semilocal (1506.69755s) started
T01 << 1462359868.54073811 semilocal (1508.90556s) stopped
T01 >> 1462359868.57158899 redistribute (725.34282s) started
T01 << 1462359868.96755791 redistribute (725.73879s) stopped
T01 >> 1462359868.96762490 libvdwxc nonlocal (4429.35307s) started
T01 << 1462359875.66094995 libvdwxc nonlocal (4436.04640s) stopped
T01 >> 1462359875.66102290 redistribute (725.73883s) started
T01 << 1462359876.33351588 redistribute (726.41132s) stopped
T01 << 1462359876.33510995 van der Waals (6722.51996s) stopped
T01 << 1462359876.51015210 XC 3D grid (6963.87760s) stopped
T01 >> 1462359876.51021791 Poisson (1399.51719s) started
T01 << 1462359878.86470699 Poisson (1401.87168s) stopped
T01 >> 1462359878.86482811 Hartree integrate/restrict (55.12683s) started
T01 << 1462359878.88373804 Hartree integrate/restrict (55.14574s) stopped
T01 >> 1462359878.88383293 Hartree integrate/restrict (55.14581s) started
T01 << 1462359878.94589591 Hartree integrate/restrict (55.20787s) stopped
T01 >> 1462359878.96930289 Atomic (4272.90883s) started
T01 >> 1462359878.97959495 XC Correction (4264.08237s) started
T01 << 1462359885.35095692 XC Correction (4270.45374s) stopped
T01 << 1462359885.35398698 Atomic (4279.29352s) stopped
T01 >> 1462359885.35408902 Communicate (3351.89387s) started
T01 << 1462359890.13460493 Communicate (3356.67439s) stopped
T01 << 1462359890.13462806 Hamiltonian (16081.05432s) stopped
T01 >> 1462359890.13469505 LCAO eigensolver (5798.77551s) started
T01 >> 1462359890.13470888 Potential matrix (187.82974s) started
T01 << 1462359890.40543389 Potential matrix (188.10046s) stopped
T01 >> 1462359890.40550208 DistributedAtomicCorrection (965.51058s) started
T01 << 1462359891.76695800 DistributedAtomicCorrection (966.87203s) stopped
T01 >> 1462359891.76702309 Distribute overlap matrix (847.70846s) started
T01 >> 1462359891.76704502 blocked summation (804.17329s) started
T01 << 1462359892.91775703 blocked summation (805.32401s) stopped
T01 >> 1462359892.91999412 Scalapack redistribute (42.36814s) started
T01 << 1462359892.97660398 Scalapack redistribute (42.42475s) stopped
T01 << 1462359892.97668910 Distribute overlap matrix (848.91813s) stopped
T01 >> 1462359892.97731209 Blacs Orbital Layouts (1989.57797s) started
T01 >> 1462359892.97886610 General diagonalize (1949.53821s) started
T01 << 1462359895.71145606 General diagonalize (1952.27080s) stopped
T01 >> 1462359895.71152091 Redistribute coefs (2.19942s) started
T01 << 1462359895.71479607 Redistribute coefs (2.20269s) stopped
T01 >> 1462359895.71484494 Send coefs to domains (36.67427s) started
T01 << 1462359895.76701403 Send coefs to domains (36.72644s) stopped
T01 << 1462359895.76735306 Blacs Orbital Layouts (1992.36801s) stopped
T01 >> 1462359895.76740599 Calculate projections (1807.52709s) started
T01 << 1462359898.22772408 Calculate projections (1809.98741s) stopped
T01 << 1462359898.22815800 LCAO eigensolver (5806.86898s) stopped
T01 >> 1462359898.22890711 Density (1429.37409s) started
T01 >> 1462359898.22891998 Pseudo density (1183.32261s) started
T01 >> 1462359898.22937012 Calculate density matrix (1063.39895s) started
T01 << 1462359899.81461501 Calculate density matrix (1064.98420s) stopped
T01 >> 1462359899.81470799 Construct density (118.22489s) started
T01 << 1462359899.99732900 Construct density (118.40751s) stopped
T01 >> 1462359899.99961400 Symmetrize density (0.02985s) started
T01 << 1462359899.99964905 Symmetrize density (0.02988s) stopped
T01 << 1462359900.00010204 Pseudo density (1185.09379s) stopped
T01 >> 1462359900.00012207 Atomic density matrices (163.39872s) started
T01 << 1462359900.24709892 Atomic density matrices (163.64569s) stopped
T01 >> 1462359900.24713612 Multipole moments (2.67231s) started
T01 << 1462359900.25141191 Multipole moments (2.67659s) stopped
T01 >> 1462359900.25143409 Normalize (0.73240s) started
T01 << 1462359900.25251508 Normalize (0.73348s) stopped
T01 >> 1462359900.25254989 Mix (79.20222s) started
T01 << 1462359900.37322497 Mix (79.32290s) stopped
T01 << 1462359900.37330198 Density (1431.51848s) stopped
T01 >> 1462359900.37340307 Hamiltonian (16081.05433s) started
T01 >> 1462359900.37342405 vbar (9.73319s) started
T01 << 1462359900.38814402 vbar (9.74791s) stopped
T01 >> 1462359900.38822699 XC 3D grid (6963.87765s) started
T01 >> 1462359900.55964899 van der Waals (6722.52003s) started
T01 >> 1462359900.60129309 semilocal (1508.90572s) started
T01 << 1462359902.80856895 semilocal (1511.11299s) stopped
T01 >> 1462359902.84067202 redistribute (726.41137s) started
T01 << 1462359903.23536992 redistribute (726.80607s) stopped
T01 >> 1462359903.23543692 libvdwxc nonlocal (4436.04645s) started
T01 << 1462359909.90945911 libvdwxc nonlocal (4442.72047s) stopped
T01 >> 1462359909.90951800 redistribute (726.80611s) started
T01 << 1462359910.58941889 redistribute (727.48601s) stopped
T01 << 1462359910.59108210 van der Waals (6732.55146s) stopped
T01 << 1462359910.76521492 XC 3D grid (6974.25463s) stopped
T01 >> 1462359910.76526093 Poisson (1401.87178s) started
T01 << 1462359913.12468696 Poisson (1404.23120s) stopped
T01 >> 1462359913.12476301 Hartree integrate/restrict (55.20791s) started
T01 << 1462359913.14363599 Hartree integrate/restrict (55.22678s) stopped
T01 >> 1462359913.14369297 Hartree integrate/restrict (55.22682s) started
T01 << 1462359913.21206498 Hartree integrate/restrict (55.29519s) stopped
T01 >> 1462359913.22850299 Atomic (4279.29353s) started
T01 >> 1462359913.23869705 XC Correction (4270.45376s) started
T01 << 1462359919.56059790 XC Correction (4276.77566s) stopped
T01 << 1462359919.56360102 Atomic (4285.62863s) stopped
T01 >> 1462359919.56370401 Communicate (3356.67440s) started
T01 << 1462359924.36614895 Communicate (3361.47685s) stopped
T01 << 1462359924.36617208 Hamiltonian (16105.04710s) stopped
T01 >> 1462359924.36623693 LCAO eigensolver (5806.86899s) started
T01 >> 1462359924.36625004 Potential matrix (188.10049s) started
T01 << 1462359924.63569808 Potential matrix (188.36994s) stopped
T01 >> 1462359924.63576603 DistributedAtomicCorrection (966.87206s) started
T01 << 1462359926.00008988 DistributedAtomicCorrection (968.23638s) stopped
T01 >> 1462359926.00015712 Distribute overlap matrix (848.91814s) started
T01 >> 1462359926.00017810 blocked summation (805.32404s) started
T01 << 1462359927.15498805 blocked summation (806.47885s) stopped
T01 >> 1462359927.15666890 Scalapack redistribute (42.42478s) started
T01 << 1462359927.21622801 Scalapack redistribute (42.48434s) stopped
T01 << 1462359927.21631098 Distribute overlap matrix (850.13429s) stopped
T01 >> 1462359927.21697998 Blacs Orbital Layouts (1992.36802s) started
T01 >> 1462359927.21873999 General diagonalize (1952.27084s) started
T01 << 1462359929.93039989 General diagonalize (1954.98250s) stopped
T01 >> 1462359929.93044901 Redistribute coefs (2.20273s) started
T01 << 1462359929.93442202 Redistribute coefs (2.20670s) stopped
T01 >> 1462359929.93446898 Send coefs to domains (36.72648s) started
T01 << 1462359929.98586702 Send coefs to domains (36.77788s) stopped
T01 << 1462359929.98620009 Blacs Orbital Layouts (1995.13724s) stopped
T01 >> 1462359929.98625112 Calculate projections (1809.98747s) started
T01 << 1462359932.44658995 Calculate projections (1812.44781s) stopped
T01 << 1462359932.44686699 LCAO eigensolver (5814.94962s) stopped
T01 >> 1462359932.44760394 Density (1431.51850s) started
T01 >> 1462359932.44761801 Pseudo density (1185.09381s) started
T01 >> 1462359932.44806600 Calculate density matrix (1064.98424s) started
T01 << 1462359934.03284311 Calculate density matrix (1066.56902s) stopped
T01 >> 1462359934.03292894 Construct density (118.40753s) started
T01 << 1462359934.21543002 Construct density (118.59004s) stopped
T01 >> 1462359934.21773005 Symmetrize density (0.02990s) started
T01 << 1462359934.21776390 Symmetrize density (0.02993s) stopped
T01 << 1462359934.21821404 Pseudo density (1186.86441s) stopped
T01 >> 1462359934.21823311 Atomic density matrices (163.64572s) started
T01 << 1462359934.46514702 Atomic density matrices (163.89263s) stopped
T01 >> 1462359934.46518397 Multipole moments (2.67660s) started
T01 << 1462359934.46949792 Multipole moments (2.68092s) stopped
T01 >> 1462359934.46952009 Normalize (0.73350s) started
T01 << 1462359934.47058010 Normalize (0.73456s) stopped
T01 >> 1462359934.47061491 Mix (79.32297s) started
T01 << 1462359934.59154010 Mix (79.44390s) stopped
T01 << 1462359934.59160590 Density (1433.66250s) stopped
T01 >> 1462359934.59169888 Hamiltonian (16105.04711s) started
T01 >> 1462359934.59171891 vbar (9.74795s) started
T01 << 1462359934.60671902 vbar (9.76295s) stopped
T01 >> 1462359934.60682011 XC 3D grid (6974.25467s) started
T01 >> 1462359934.78563094 van der Waals (6732.55155s) started
T01 >> 1462359934.82663488 semilocal (1511.11308s) started
T01 << 1462359937.03354907 semilocal (1513.32000s) stopped
T01 >> 1462359937.06375194 redistribute (727.48608s) started
T01 << 1462359937.45536399 redistribute (727.87769s) stopped
T01 >> 1462359937.45543098 libvdwxc nonlocal (4442.72051s) started
T01 << 1462359944.14088011 libvdwxc nonlocal (4449.40595s) stopped
T01 >> 1462359944.14094090 redistribute (727.87773s) started
T01 << 1462359944.81259990 redistribute (728.54939s) stopped
T01 << 1462359944.81418490 van der Waals (6742.58010s) stopped
T01 << 1462359944.98858500 XC 3D grid (6984.63644s) stopped
T01 >> 1462359944.98862910 Poisson (1404.23126s) started
T01 << 1462359946.76500607 Poisson (1406.00763s) stopped
T01 >> 1462359946.76507401 Hartree integrate/restrict (55.29523s) started
T01 << 1462359946.78418589 Hartree integrate/restrict (55.31435s) stopped
T01 >> 1462359946.78423905 Hartree integrate/restrict (55.31438s) started
T01 << 1462359946.84590197 Hartree integrate/restrict (55.37604s) stopped
T01 >> 1462359946.86956191 Atomic (4285.62865s) started
T01 >> 1462359946.87979007 XC Correction (4276.77568s) started
T01 << 1462359953.19739795 XC Correction (4283.09329s) stopped
T01 << 1462359953.20040894 Atomic (4291.95950s) stopped
T01 >> 1462359953.20051408 Communicate (3361.47686s) started
T01 << 1462359958.06047297 Communicate (3366.33682s) stopped
T01 << 1462359958.06049705 Hamiltonian (16128.51591s) stopped
T01 >> 1462359958.06056094 LCAO eigensolver (5814.94964s) started
T01 >> 1462359958.06057405 Potential matrix (188.36998s) started
T01 << 1462359958.32930398 Potential matrix (188.63871s) stopped
T01 >> 1462359958.32937098 DistributedAtomicCorrection (968.23641s) started
T01 << 1462359959.70698690 DistributedAtomicCorrection (969.61403s) stopped
T01 >> 1462359959.70705509 Distribute overlap matrix (850.13430s) started
T01 >> 1462359959.70707607 blocked summation (806.47889s) started
T01 << 1462359960.84120798 blocked summation (807.61302s) stopped
T01 >> 1462359960.84287000 Scalapack redistribute (42.48438s) started
T01 << 1462359960.90191698 Scalapack redistribute (42.54343s) stopped
T01 << 1462359960.90199590 Distribute overlap matrix (851.32925s) stopped
T01 >> 1462359960.90266991 Blacs Orbital Layouts (1995.13726s) started
T01 >> 1462359960.90441990 General diagonalize (1954.98254s) started
T01 << 1462359963.61120296 General diagonalize (1957.68932s) stopped
T01 >> 1462359963.61126995 Redistribute coefs (2.20674s) started
T01 << 1462359963.61525989 Redistribute coefs (2.21073s) stopped
T01 >> 1462359963.61530805 Send coefs to domains (36.77792s) started
T01 << 1462359963.66736889 Send coefs to domains (36.82998s) stopped
T01 << 1462359963.66771603 Blacs Orbital Layouts (1997.90231s) stopped
T01 >> 1462359963.66776896 Calculate projections (1812.44787s) started
T01 << 1462359966.12790895 Calculate projections (1814.90801s) stopped
T01 << 1462359966.12818599 LCAO eigensolver (5823.01727s) stopped
T01 >> 1462359966.12891507 Density (1433.66252s) started
T01 >> 1462359966.12892795 Pseudo density (1186.86442s) started
T01 >> 1462359966.12936807 Calculate density matrix (1066.56906s) started
T01 << 1462359967.71432805 Calculate density matrix (1068.15402s) stopped
T01 >> 1462359967.71441007 Construct density (118.59006s) started
T01 << 1462359967.89675808 Construct density (118.77241s) stopped
T01 >> 1462359967.89903498 Symmetrize density (0.02994s) started
T01 << 1462359967.89906812 Symmetrize density (0.02998s) stopped
T01 << 1462359967.89952111 Pseudo density (1188.63501s) stopped
T01 >> 1462359967.89954090 Atomic density matrices (163.89266s) started
T01 << 1462359968.14613390 Atomic density matrices (164.13925s) stopped
T01 >> 1462359968.14617109 Multipole moments (2.68093s) started
T01 << 1462359968.15046811 Multipole moments (2.68523s) stopped
T01 >> 1462359968.15049005 Normalize (0.73459s) started
T01 << 1462359968.15156698 Normalize (0.73566s) stopped
T01 >> 1462359968.15160298 Mix (79.44396s) started
T01 << 1462359968.27218008 Mix (79.56454s) stopped
T01 << 1462359968.27229404 Density (1435.80589s) stopped
T01 >> 1462359968.27239490 Hamiltonian (16128.51592s) started
T01 >> 1462359968.27241611 vbar (9.76301s) started
T01 << 1462359968.28759599 vbar (9.77819s) stopped
T01 >> 1462359968.28766298 XC 3D grid (6984.63647s) started
T01 >> 1462359968.46618795 van der Waals (6742.58018s) started
T01 >> 1462359968.50733495 semilocal (1513.32009s) started
T01 << 1462359970.74274611 semilocal (1515.55550s) stopped
T01 >> 1462359970.77248907 redistribute (728.54943s) started
T01 << 1462359971.15531492 redistribute (728.93226s) stopped
T01 >> 1462359971.15538192 libvdwxc nonlocal (4449.40599s) started
T01 << 1462359977.81993198 libvdwxc nonlocal (4456.07054s) stopped
T01 >> 1462359977.81999993 redistribute (728.93230s) started
T01 << 1462359978.48940492 redistribute (729.60170s) stopped
T01 << 1462359978.49083996 van der Waals (6752.60483s) stopped
T01 << 1462359978.66492391 XC 3D grid (6995.01373s) stopped
T01 >> 1462359978.66499090 Poisson (1406.00769s) started
T01 << 1462359980.43964791 Poisson (1407.78234s) stopped
T01 >> 1462359980.43976903 Hartree integrate/restrict (55.37608s) started
T01 << 1462359980.45866609 Hartree integrate/restrict (55.39498s) stopped
T01 >> 1462359980.45875406 Hartree integrate/restrict (55.39504s) started
T01 << 1462359980.52047300 Hartree integrate/restrict (55.45676s) stopped
T01 >> 1462359980.54413509 Atomic (4291.95951s) started
T01 >> 1462359980.55432796 XC Correction (4283.09331s) started
T01 << 1462359986.89947391 XC Correction (4289.43846s) stopped
T01 << 1462359986.90249801 Atomic (4298.31788s) stopped
T01 >> 1462359986.90259910 Communicate (3366.33684s) started
T01 << 1462359991.90168309 Communicate (3371.33592s) stopped
T01 << 1462359991.90170598 Hamiltonian (16152.14523s) stopped
T01 >> 1462359991.90176892 LCAO eigensolver (5823.01729s) started
T01 >> 1462359991.90178204 Potential matrix (188.63874s) started
T01 << 1462359992.17050505 Potential matrix (188.90746s) stopped
T01 >> 1462359992.17057395 DistributedAtomicCorrection (969.61405s) started
T01 << 1462359993.52860093 DistributedAtomicCorrection (970.97208s) stopped
T01 >> 1462359993.52867198 Distribute overlap matrix (851.32926s) started
T01 >> 1462359993.52869511 blocked summation (807.61306s) started
T01 << 1462359994.66397691 blocked summation (808.74835s) stopped
T01 >> 1462359994.66564107 Scalapack redistribute (42.54346s) started
T01 << 1462359994.72402811 Scalapack redistribute (42.60185s) stopped
T01 << 1462359994.72410893 Distribute overlap matrix (852.52469s) stopped
T01 >> 1462359994.72473097 Blacs Orbital Layouts (1997.90233s) started
T01 >> 1462359994.72619510 General diagonalize (1957.68936s) started
T01 << 1462359997.42782807 General diagonalize (1960.39099s) stopped
T01 >> 1462359997.42789507 Redistribute coefs (2.21077s) started
T01 << 1462359997.43162489 Redistribute coefs (2.21450s) stopped
T01 >> 1462359997.43167496 Send coefs to domains (36.83003s) started
T01 << 1462359997.48346806 Send coefs to domains (36.88182s) stopped
T01 << 1462359997.48381305 Blacs Orbital Layouts (2000.66141s) stopped
T01 >> 1462359997.48386693 Calculate projections (1814.90806s) started
T01 << 1462359999.94414902 Calculate projections (1817.36835s) stopped
T01 << 1462359999.94442606 LCAO eigensolver (5831.05994s) stopped
T01 >> 1462359999.94515896 Density (1435.80591s) started
T01 >> 1462359999.94517207 Pseudo density (1188.63502s) started
T01 >> 1462359999.94561410 Calculate density matrix (1068.15406s) started
T01 << 1462360001.53274703 Calculate density matrix (1069.74120s) stopped
T01 >> 1462360001.53283095 Construct density (118.77244s) started
T01 << 1462360001.71526098 Construct density (118.95487s) stopped
T01 >> 1462360001.71755409 Symmetrize density (0.02999s) started
T01 << 1462360001.71758699 Symmetrize density (0.03002s) stopped
T01 << 1462360001.71804905 Pseudo density (1190.40790s) stopped
T01 >> 1462360001.71806908 Atomic density matrices (164.13928s) started
T01 << 1462360001.96489501 Atomic density matrices (164.38610s) stopped
T01 >> 1462360001.96493196 Multipole moments (2.68524s) started
T01 << 1462360001.96925306 Multipole moments (2.68956s) stopped
T01 >> 1462360001.96927500 Normalize (0.73569s) started
T01 << 1462360001.97034693 Normalize (0.73676s) stopped
T01 >> 1462360001.97038388 Mix (79.56465s) started
T01 << 1462360002.09106708 Mix (79.68533s) stopped
T01 << 1462360002.09117007 Density (1437.95192s) stopped
T01 >> 1462360002.09126711 Hamiltonian (16152.14525s) started
T01 >> 1462360002.09128499 vbar (9.77823s) started
T01 << 1462360002.10634995 vbar (9.79329s) stopped
T01 >> 1462360002.10641503 XC 3D grid (6995.01378s) started
T01 >> 1462360002.28053808 van der Waals (6752.60489s) started
T01 >> 1462360002.32203794 semilocal (1515.55557s) started
T01 << 1462360004.53708696 semilocal (1517.77062s) stopped
T01 >> 1462360004.56794095 redistribute (729.60176s) started
T01 << 1462360004.96267390 redistribute (729.99649s) stopped
T01 >> 1462360004.96273994 libvdwxc nonlocal (4456.07059s) started
T01 << 1462360011.63239288 libvdwxc nonlocal (4462.74024s) stopped
T01 >> 1462360011.63245010 redistribute (729.99653s) started
T01 << 1462360012.30472112 redistribute (730.66880s) stopped
T01 << 1462360012.30643892 van der Waals (6762.63079s) stopped
T01 << 1462360012.48037291 XC 3D grid (7005.38774s) stopped
T01 >> 1462360012.48041797 Poisson (1407.78244s) started
T01 << 1462360014.24967408 Poisson (1409.55169s) stopped
T01 >> 1462360014.24975896 Hartree integrate/restrict (55.45680s) started
T01 << 1462360014.26881194 Hartree integrate/restrict (55.47585s) stopped
T01 >> 1462360014.26887703 Hartree integrate/restrict (55.47590s) started
T01 << 1462360014.33127594 Hartree integrate/restrict (55.53829s) stopped
T01 >> 1462360014.35406590 Atomic (4298.31789s) started
T01 >> 1462360014.36422300 XC Correction (4289.43848s) started
T01 << 1462360020.69792199 XC Correction (4295.77218s) stopped
T01 << 1462360020.70092297 Atomic (4304.66475s) stopped
T01 >> 1462360020.70102310 Communicate (3371.33594s) started
T01 << 1462360025.62167501 Communicate (3376.25659s) stopped
T01 << 1462360025.62169695 Hamiltonian (16175.67568s) stopped
T01 >> 1462360025.62175894 LCAO eigensolver (5831.05996s) started
T01 >> 1462360025.62177205 Potential matrix (188.90750s) started
T01 << 1462360025.89099312 Potential matrix (189.17672s) stopped
T01 >> 1462360025.89105797 DistributedAtomicCorrection (970.97211s) started
T01 << 1462360027.25555611 DistributedAtomicCorrection (972.33661s) stopped
T01 >> 1462360027.25562191 Distribute overlap matrix (852.52471s) started
T01 >> 1462360027.25564694 blocked summation (808.74838s) started
T01 << 1462360028.38387609 blocked summation (809.87661s) stopped
T01 >> 1462360028.38552403 Scalapack redistribute (42.60189s) started
T01 << 1462360028.44396901 Scalapack redistribute (42.66033s) stopped
T01 << 1462360028.44405007 Distribute overlap matrix (853.71313s) stopped
T01 >> 1462360028.44471598 Blacs Orbital Layouts (2000.66143s) started
T01 >> 1462360028.44646597 General diagonalize (1960.39103s) started
T01 << 1462360031.14941096 General diagonalize (1963.09398s) stopped
T01 >> 1462360031.14947796 Redistribute coefs (2.21454s) started
T01 << 1462360031.15322399 Redistribute coefs (2.21828s) stopped
T01 >> 1462360031.15327096 Send coefs to domains (36.88186s) started
T01 << 1462360031.20497489 Send coefs to domains (36.93357s) stopped
T01 << 1462360031.20534492 Blacs Orbital Layouts (2003.42205s) stopped
T01 >> 1462360031.20539904 Calculate projections (1817.36841s) started
T01 << 1462360033.66542602 Calculate projections (1819.82843s) stopped
T01 << 1462360033.66570902 LCAO eigensolver (5839.10391s) stopped
T01 >> 1462360033.66643596 Density (1437.95194s) started
T01 >> 1462360033.66644907 Pseudo density (1190.40792s) started
T01 >> 1462360033.66690207 Calculate density matrix (1069.74124s) started
T01 << 1462360035.25160599 Calculate density matrix (1071.32594s) stopped
T01 >> 1462360035.25169611 Construct density (118.95490s) started
T01 << 1462360035.43425989 Construct density (119.13746s) stopped
T01 >> 1462360035.43654990 Symmetrize density (0.03003s) started
T01 << 1462360035.43658400 Symmetrize density (0.03007s) stopped
T01 << 1462360035.43704104 Pseudo density (1192.17851s) stopped
T01 >> 1462360035.43706012 Atomic density matrices (164.38613s) started
T01 << 1462360035.68395805 Atomic density matrices (164.63303s) stopped
T01 >> 1462360035.68399596 Multipole moments (2.68958s) started
T01 << 1462360035.68841910 Multipole moments (2.69400s) stopped
T01 >> 1462360035.68844199 Normalize (0.73679s) started
T01 << 1462360035.68950200 Normalize (0.73785s) stopped
T01 >> 1462360035.68953705 Mix (79.68543s) started
T01 << 1462360035.80991411 Mix (79.80581s) stopped
T01 << 1462360035.80998302 Density (1440.09549s) stopped
T01 >> 1462360035.81007791 Hamiltonian (16175.67569s) started
T01 >> 1462360035.81009889 vbar (9.79333s) started
T01 << 1462360035.82513094 vbar (9.80836s) stopped
T01 >> 1462360035.82521391 XC 3D grid (7005.38778s) started
T01 >> 1462360036.00142193 van der Waals (6762.63088s) started
T01 >> 1462360036.04253793 semilocal (1517.77072s) started
T01 << 1462360038.26394606 semilocal (1519.99213s) stopped
T01 >> 1462360038.29407597 redistribute (730.66887s) started
T01 << 1462360038.68096209 redistribute (731.05575s) stopped
T01 >> 1462360038.68102789 libvdwxc nonlocal (4462.74028s) started
T01 << 1462360045.35570502 libvdwxc nonlocal (4469.41495s) stopped
T01 >> 1462360045.35576797 redistribute (731.05579s) started
T01 << 1462360046.02758288 redistribute (731.72760s) stopped
T01 << 1462360046.02926612 van der Waals (6772.65873s) stopped
T01 << 1462360046.20319200 XC 3D grid (7015.76575s) stopped
T01 >> 1462360046.20323801 Poisson (1409.55176s) started
T01 << 1462360047.97673297 Poisson (1411.32525s) stopped
T01 >> 1462360047.97680593 Hartree integrate/restrict (55.53833s) started
T01 << 1462360047.99586201 Hartree integrate/restrict (55.55739s) stopped
T01 >> 1462360047.99590898 Hartree integrate/restrict (55.55742s) started
T01 << 1462360048.05839610 Hartree integrate/restrict (55.61990s) stopped
T01 >> 1462360048.08092594 Atomic (4304.66477s) started
T01 >> 1462360048.09101009 XC Correction (4295.77221s) started
T01 << 1462360054.40188003 XC Correction (4302.08308s) stopped
T01 << 1462360054.40487790 Atomic (4310.98872s) stopped
T01 >> 1462360054.40498090 Communicate (3376.25660s) started
T01 << 1462360059.40902305 Communicate (3381.26065s) stopped
T01 << 1462360059.40904593 Hamiltonian (16199.27466s) stopped
T01 >> 1462360059.40911007 LCAO eigensolver (5839.10393s) started
T01 >> 1462360059.40912199 Potential matrix (189.17675s) started
T01 << 1462360059.67921591 Potential matrix (189.44684s) stopped
T01 >> 1462360059.67928410 DistributedAtomicCorrection (972.33663s) started
T01 << 1462360061.03795195 DistributedAtomicCorrection (973.69530s) stopped
T01 >> 1462360061.03801894 Distribute overlap matrix (853.71315s) started
T01 >> 1462360061.03803992 blocked summation (809.87665s) started
T01 << 1462360062.17381597 blocked summation (811.01243s) stopped
T01 >> 1462360062.17550206 Scalapack redistribute (42.66037s) started
T01 << 1462360062.23277092 Scalapack redistribute (42.71764s) stopped
T01 << 1462360062.23285103 Distribute overlap matrix (854.90798s) stopped
T01 >> 1462360062.23351693 Blacs Orbital Layouts (2003.42207s) started
T01 >> 1462360062.23526406 General diagonalize (1963.09402s) started
T01 << 1462360064.95287395 General diagonalize (1965.81163s) stopped
T01 >> 1462360064.95293903 Redistribute coefs (2.21832s) started
T01 << 1462360064.95652795 Redistribute coefs (2.22191s) stopped
T01 >> 1462360064.95657706 Send coefs to domains (36.93361s) started
T01 << 1462360065.00857711 Send coefs to domains (36.98561s) stopped
T01 << 1462360065.00895810 Blacs Orbital Layouts (2006.19751s) stopped
T01 >> 1462360065.00901794 Calculate projections (1819.82849s) started
T01 << 1462360067.46945190 Calculate projections (1822.28893s) stopped
T01 << 1462360067.46973109 LCAO eigensolver (5847.16455s) stopped
T01 >> 1462360067.47045994 Density (1440.09550s) started
T01 >> 1462360067.47047305 Pseudo density (1192.17852s) started
T01 >> 1462360067.47091699 Calculate density matrix (1071.32599s) started
T01 << 1462360069.05880690 Calculate density matrix (1072.91388s) stopped
T01 >> 1462360069.05889201 Construct density (119.13749s) started
T01 << 1462360069.24125099 Construct density (119.31985s) stopped
T01 >> 1462360069.24352598 Symmetrize density (0.03008s) started
T01 << 1462360069.24356103 Symmetrize density (0.03011s) stopped
T01 << 1462360069.24401999 Pseudo density (1193.95207s) stopped
T01 >> 1462360069.24403906 Atomic density matrices (164.63305s) started
T01 << 1462360069.49091005 Atomic density matrices (164.87992s) stopped
T01 >> 1462360069.49094701 Multipole moments (2.69402s) started
T01 << 1462360069.49526811 Multipole moments (2.69834s) stopped
T01 >> 1462360069.49529004 Normalize (0.73787s) started
T01 << 1462360069.49636698 Normalize (0.73895s) stopped
T01 >> 1462360069.49640298 Mix (79.80587s) started
T01 << 1462360069.61685705 Mix (79.92633s) stopped
T01 << 1462360069.61699104 Density (1442.24204s) stopped
T01 >> 1462360069.61709499 Hamiltonian (16199.27467s) started
T01 >> 1462360069.61711502 vbar (9.80841s) started
T01 << 1462360069.63262296 vbar (9.82392s) stopped
T01 >> 1462360069.63269210 XC 3D grid (7015.76579s) started
T01 >> 1462360069.80596805 van der Waals (6772.65881s) started
T01 >> 1462360069.84710693 semilocal (1519.99226s) started
T01 << 1462360072.05331397 semilocal (1522.19846s) stopped
T01 >> 1462360072.08386111 redistribute (731.72770s) started
T01 << 1462360072.47754598 redistribute (732.12139s) stopped
T01 >> 1462360072.47761297 libvdwxc nonlocal (4469.41500s) started
T01 << 1462360079.14848208 libvdwxc nonlocal (4476.08587s) stopped
T01 >> 1462360079.14855599 redistribute (732.12143s) started
T01 << 1462360079.81360006 redistribute (732.78647s) stopped
T01 << 1462360079.81515098 van der Waals (6782.66800s) stopped
T01 << 1462360079.99172306 XC 3D grid (7026.12482s) stopped
T01 >> 1462360079.99178910 Poisson (1411.32531s) started
T01 << 1462360081.18763709 Poisson (1412.52116s) stopped
T01 >> 1462360081.18777299 Hartree integrate/restrict (55.61994s) started
T01 << 1462360081.20672393 Hartree integrate/restrict (55.63889s) stopped
T01 >> 1462360081.20687103 Hartree integrate/restrict (55.63900s) started
T01 << 1462360081.26815391 Hartree integrate/restrict (55.70028s) stopped
T01 >> 1462360081.29187799 Atomic (4310.98874s) started
T01 >> 1462360081.30201888 XC Correction (4302.08310s) started
T01 << 1462360087.64037991 XC Correction (4308.42146s) stopped
T01 << 1462360087.64338207 Atomic (4317.34024s) stopped
T01 >> 1462360087.64348197 Communicate (3381.26066s) started
T01 << 1462360092.53428793 Communicate (3386.15147s) stopped
T01 << 1462360092.53431010 Hamiltonian (16222.19188s) stopped
T01 >> 1462360092.53437400 LCAO eigensolver (5847.16457s) started
T01 >> 1462360092.53438711 Potential matrix (189.44688s) started
T01 << 1462360092.80340290 Potential matrix (189.71589s) stopped
T01 >> 1462360092.80346894 DistributedAtomicCorrection (973.69533s) started
T01 << 1462360094.15966511 DistributedAtomicCorrection (975.05153s) stopped
T01 >> 1462360094.15973210 Distribute overlap matrix (854.90799s) started
T01 >> 1462360094.15975308 blocked summation (811.01247s) started
T01 << 1462360095.28857207 blocked summation (812.14128s) stopped
T01 >> 1462360095.29086804 Scalapack redistribute (42.71767s) started
T01 << 1462360095.35039210 Scalapack redistribute (42.77719s) stopped
T01 << 1462360095.35046911 Distribute overlap matrix (856.09873s) stopped
T01 >> 1462360095.35108995 Blacs Orbital Layouts (2006.19753s) started
T01 >> 1462360095.35269499 General diagonalize (1965.81166s) started
T01 << 1462360098.06223798 General diagonalize (1968.52121s) stopped
T01 >> 1462360098.06230497 Redistribute coefs (2.22195s) started
T01 << 1462360098.06530309 Redistribute coefs (2.22495s) stopped
T01 >> 1462360098.06535101 Send coefs to domains (36.98570s) started
T01 << 1462360098.11766601 Send coefs to domains (37.03801s) stopped
T01 << 1462360098.11798811 Blacs Orbital Layouts (2008.96443s) stopped
T01 >> 1462360098.11804008 Calculate projections (1822.28898s) started
T01 << 1462360100.57830691 Calculate projections (1824.74925s) stopped
T01 << 1462360100.57874489 LCAO eigensolver (5855.20894s) stopped
T01 << 1462360100.57945991 SCF-cycle (23520.25200s) stopped
T01 >> 1462360101.48376608 Force calculation (1368.73497s) started
T01 >> 1462360101.48382711 LCAO forces (847.53672s) started
T01 >> 1462360101.48418093 Initial (0.00100s) started
T01 << 1462360101.48419189 Initial (0.00101s) stopped
T01 >> 1462360101.48854899 Get density matrix (165.69186s) started
T01 << 1462360102.08059192 Get density matrix (166.28390s) stopped
T01 >> 1462360102.08066201 Potential (60.98075s) started
T01 << 1462360103.51185203 Potential (62.41194s) stopped
T01 >> 1462360103.51190305 Get density matrix (166.28394s) started
T01 << 1462360106.75369501 Get density matrix (169.52573s) stopped
T01 >> 1462360106.75383210 Prepare TCI loop (82.78845s) started
T01 >> 1462360106.75432706 Get neighbors (77.69675s) started
T01 << 1462360108.60501194 Get neighbors (79.54743s) stopped
T01 >> 1462360108.60523009 broadcast dH (5.06080s) started
T01 << 1462360108.61540198 broadcast dH (5.07097s) stopped
T01 << 1462360108.61544800 Prepare TCI loop (84.65006s) stopped
T01 >> 1462360108.61546612 Not so complicated loop (118.99647s) started
T01 << 1462360111.34107208 Not so complicated loop (121.72208s) stopped
T01 >> 1462360111.46934509 Complicated loop (412.99904s) started
T01 << 1462360121.13600612 Complicated loop (422.66570s) stopped
T01 >> 1462360121.15070105 Wait for sum (0.00248s) started
T01 << 1462360121.15074492 Wait for sum (0.00253s) stopped
T01 << 1462360121.15075898 LCAO forces (867.20365s) stopped
T01 << 1462360133.50431204 Force calculation (1400.75552s) stopped
T01 >> 1462360133.52241206 Initialization (2258.01324s) started
T01 << 1462360133.52260900 Initialization (2258.01344s) stopped
T01 >> 1462360133.52285910 Initialization (2258.01346s) started
T01 << 1462360133.52299404 Initialization (2258.01360s) stopped
T01 >> 1462360133.52313399 Initialization (2258.01361s) started
T01 << 1462360133.52327204 Initialization (2258.01375s) stopped
T01 >> 1462360153.84190202 Initialization (2258.01377s) started
T01 >> 1462360153.93263602 Basic WFS set positions (4.37917s) started
T01 >> 1462360153.93266702 Redistribute (0.09078s) started
T01 << 1462360153.93281388 Redistribute (0.09092s) stopped
T01 << 1462360154.03211594 Basic WFS set positions (4.47865s) stopped
T01 >> 1462360154.03214693 Basis functions set positions (18.59782s) started
T01 << 1462360154.44668102 Basis functions set positions (19.01235s) stopped
T01 >> 1462360154.44755697 TCI: Calculate S, T, P (676.73112s) started
T01 << 1462360169.78659511 TCI: Calculate S, T, P (692.07016s) stopped
T01 >> 1462360169.78669095 blocked summation (180.74660s) started
T01 << 1462360173.71802306 blocked summation (184.67794s) stopped
T01 >> 1462360173.71983409 Scalapack redistribute (10.85114s) started
T01 << 1462360173.77661490 Scalapack redistribute (10.90792s) stopped
T01 >> 1462360173.77699208 blocked summation (184.67798s) started
T01 << 1462360173.93940401 blocked summation (184.84039s) stopped
T01 >> 1462360173.94104409 Scalapack redistribute (10.90799s) started
T01 << 1462360174.14147210 Scalapack redistribute (11.10842s) stopped
T01 >> 1462360174.14287305 Redistribute (0.09059s) started
T01 << 1462360174.14380288 Redistribute (0.09152s) stopped
T01 >> 1462360175.06585407 Redistribute (0.09154s) started
T01 << 1462360175.06681395 Redistribute (0.09250s) stopped
T01 >> 1462360175.07736301 LCAO WFS Initialize (1319.74818s) started
T01 >> 1462360175.07739401 Density initialize from wavefunctions (53.67623s) started
T01 >> 1462360175.07785392 Calculate density matrix (31.02513s) started
T01 << 1462360175.79066706 Calculate density matrix (31.73794s) stopped
T01 >> 1462360175.79073501 Construct density (7.72901s) started
T01 << 1462360175.97416902 Construct density (7.91245s) stopped
T01 >> 1462360175.97573709 Symmetrize density (0.00191s) started
T01 << 1462360175.97577000 Symmetrize density (0.00194s) stopped
T01 << 1462360176.32060695 Density initialize from wavefunctions (54.91944s) stopped
T01 >> 1462360176.32120109 Hamiltonian (1265.85092s) started
T01 >> 1462360176.32124805 vbar (0.66404s) started
T01 << 1462360176.33583093 vbar (0.67862s) stopped
T01 >> 1462360176.33591008 XC 3D grid (463.16407s) started
T01 >> 1462360176.51132202 van der Waals (447.10624s) started
T01 >> 1462360176.55159593 semilocal (99.74646s) started
T01 << 1462360178.78066111 semilocal (101.97553s) stopped
T01 >> 1462360178.81162000 redistribute (47.79870s) started
T01 << 1462360179.18979597 redistribute (48.17688s) stopped
T01 >> 1462360179.18986392 libvdwxc nonlocal (296.15444s) started
T01 << 1462360185.89598298 libvdwxc nonlocal (302.86056s) stopped
T01 >> 1462360185.89603996 redistribute (48.17692s) started
T01 << 1462360186.53617311 redistribute (48.81705s) stopped
T01 << 1462360186.53763390 van der Waals (457.13256s) stopped
T01 << 1462360186.71492410 XC 3D grid (473.54308s) stopped
T01 >> 1462360186.71496892 Poisson (212.35795s) started
T01 << 1462360190.86633301 Poisson (216.50932s) stopped
T01 >> 1462360190.86641693 Hartree integrate/restrict (3.62897s) started
T01 << 1462360190.88549209 Hartree integrate/restrict (3.64805s) stopped
T01 >> 1462360190.88555408 Hartree integrate/restrict (3.64809s) started
T01 << 1462360190.95279694 Hartree integrate/restrict (3.71533s) stopped
T01 >> 1462360190.96978998 Atomic (298.06026s) started
T01 >> 1462360190.98020792 XC Correction (297.45913s) started
T01 << 1462360197.47336888 XC Correction (303.95230s) stopped
T01 << 1462360197.47643495 Atomic (304.56691s) stopped
T01 >> 1462360197.47664905 Communicate (286.99103s) started
T01 << 1462360203.62715793 Communicate (293.14154s) stopped
T01 << 1462360203.62718296 Hamiltonian (1293.15690s) stopped
T01 << 1462360203.62723398 LCAO WFS Initialize (1348.29805s) stopped
T01 << 1462360203.63927293 Initialization (2307.81114s) stopped
T01 >> 1462360203.66411304 SCF-cycle (23520.25202s) started
T01 >> 1462360203.66415310 LCAO eigensolver (5855.20896s) started
T01 >> 1462360203.66416597 Potential matrix (189.71592s) started
T01 << 1462360203.93556809 Potential matrix (189.98733s) stopped
T01 >> 1462360203.93563795 DistributedAtomicCorrection (975.05156s) started
T01 << 1462360205.29707503 DistributedAtomicCorrection (976.41299s) stopped
T01 >> 1462360205.29714704 Distribute overlap matrix (856.09874s) started
T01 >> 1462360205.29716897 blocked summation (812.14132s) started
T01 << 1462360206.45393300 blocked summation (813.29808s) stopped
T01 >> 1462360206.45549393 Scalapack redistribute (42.77723s) started
T01 << 1462360206.51211500 Scalapack redistribute (42.83385s) stopped
T01 << 1462360206.51219606 Distribute overlap matrix (857.31379s) stopped
T01 >> 1462360206.51276493 Blacs Orbital Layouts (2008.96445s) started
T01 >> 1462360206.51366591 General diagonalize (1968.52124s) started
T01 << 1462360209.26663709 General diagonalize (1971.27421s) stopped
T01 >> 1462360209.26669097 Redistribute coefs (2.22498s) started
T01 << 1462360209.26958704 Redistribute coefs (2.22788s) stopped
T01 >> 1462360209.26963305 Send coefs to domains (37.03806s) started
T01 << 1462360209.32157707 Send coefs to domains (37.09000s) stopped
T01 << 1462360209.32163596 Blacs Orbital Layouts (2011.77332s) stopped
T01 >> 1462360209.32166600 Calculate projections (1824.74931s) started
T01 << 1462360211.78185892 Calculate projections (1827.20950s) stopped
T01 << 1462360211.78193998 LCAO eigensolver (5863.32675s) stopped
T01 >> 1462360211.78259993 Density (1442.24205s) started
T01 >> 1462360211.78261209 Pseudo density (1193.95208s) started
T01 >> 1462360211.78313208 Calculate density matrix (1072.91392s) started
T01 << 1462360213.37673402 Calculate density matrix (1074.50752s) stopped
T01 >> 1462360213.37680101 Construct density (119.31988s) started
T01 << 1462360213.56125808 Construct density (119.50433s) stopped
T01 >> 1462360213.56265092 Symmetrize density (0.03012s) started
T01 << 1462360213.56268597 Symmetrize density (0.03016s) stopped
T01 << 1462360213.56313205 Pseudo density (1195.73260s) stopped
T01 >> 1462360213.56315303 Atomic density matrices (164.87995s) started
T01 << 1462360213.80863810 Atomic density matrices (165.12543s) stopped
T01 >> 1462360213.80867696 Multipole moments (2.69835s) started
T01 << 1462360213.81284094 Multipole moments (2.70252s) stopped
T01 >> 1462360213.81286311 Normalize (0.73898s) started
T01 << 1462360213.81400490 Normalize (0.74012s) stopped
T01 >> 1462360213.81404209 Mix (79.92646s) started
T01 << 1462360213.92129207 Mix (80.03371s) stopped
T01 << 1462360213.92135191 Density (1444.38081s) stopped
T01 >> 1462360213.92145705 Hamiltonian (16222.19190s) started
T01 >> 1462360213.92147708 vbar (9.82396s) started
T01 << 1462360213.93663597 vbar (9.83912s) stopped
T01 >> 1462360213.93669891 XC 3D grid (7026.12487s) started
T01 >> 1462360214.11317110 van der Waals (6782.66805s) started
T01 >> 1462360214.15474296 semilocal (1522.19854s) started
T01 << 1462360216.36798596 semilocal (1524.41178s) stopped
T01 >> 1462360216.39841509 redistribute (732.78654s) started
T01 << 1462360216.80422592 redistribute (733.19235s) stopped
T01 >> 1462360216.80429292 libvdwxc nonlocal (4476.08592s) started
T01 << 1462360223.49242902 libvdwxc nonlocal (4482.77405s) stopped
T01 >> 1462360223.49252009 redistribute (733.19239s) started
T01 << 1462360224.14179993 redistribute (733.84167s) stopped
T01 << 1462360224.14299703 van der Waals (6792.69787s) stopped
T01 << 1462360224.32454801 XC 3D grid (7036.51272s) stopped
T01 >> 1462360224.32460690 Poisson (1412.52126s) started
T01 << 1462360226.12513590 Poisson (1414.32179s) stopped
T01 >> 1462360226.12525892 Hartree integrate/restrict (55.70032s) started
T01 << 1462360226.14417505 Hartree integrate/restrict (55.71924s) stopped
T01 >> 1462360226.14429498 Hartree integrate/restrict (55.71932s) started
T01 << 1462360226.21164203 Hartree integrate/restrict (55.78667s) stopped
T01 >> 1462360226.23014092 Atomic (4317.34026s) started
T01 >> 1462360226.24018788 XC Correction (4308.42149s) started
T01 << 1462360232.69529605 XC Correction (4314.87659s) stopped
T01 << 1462360232.69827294 Atomic (4323.80839s) stopped
T01 >> 1462360232.69837403 Communicate (3386.15148s) started
T01 << 1462360238.86459208 Communicate (3392.31770s) stopped
T01 << 1462360238.86461496 Hamiltonian (16247.13505s) stopped
T01 >> 1462360238.86468506 LCAO eigensolver (5863.32676s) started
T01 >> 1462360238.86469889 Potential matrix (189.98736s) started
T01 << 1462360239.13564897 Potential matrix (190.25831s) stopped
T01 >> 1462360239.13571405 DistributedAtomicCorrection (976.41302s) started
T01 << 1462360240.49471092 DistributedAtomicCorrection (977.77202s) stopped
T01 >> 1462360240.49478197 Distribute overlap matrix (857.31380s) started
T01 >> 1462360240.49480295 blocked summation (813.29813s) started
T01 << 1462360241.66271496 blocked summation (814.46604s) stopped
T01 >> 1462360241.66428709 Scalapack redistribute (42.83388s) started
T01 << 1462360241.72257710 Scalapack redistribute (42.89217s) stopped
T01 << 1462360241.72266006 Distribute overlap matrix (858.54168s) stopped
T01 >> 1462360241.72327805 Blacs Orbital Layouts (2011.77333s) started
T01 >> 1462360241.72452092 General diagonalize (1971.27426s) started
T01 << 1462360244.44560289 General diagonalize (1973.99534s) stopped
T01 >> 1462360244.44565797 Redistribute coefs (2.22791s) started
T01 << 1462360244.44868302 Redistribute coefs (2.23094s) stopped
T01 >> 1462360244.44872808 Send coefs to domains (37.09005s) started
T01 << 1462360244.50050092 Send coefs to domains (37.14182s) stopped
T01 << 1462360244.50056195 Blacs Orbital Layouts (2014.55062s) stopped
T01 >> 1462360244.50061393 Calculate projections (1827.20956s) started
T01 << 1462360246.96097112 Calculate projections (1829.66991s) stopped
T01 << 1462360246.96105695 LCAO eigensolver (5871.42313s) stopped
T01 >> 1462360246.96172404 Density (1444.38082s) started
T01 >> 1462360246.96173692 Pseudo density (1195.73262s) started
T01 >> 1462360246.96224689 Calculate density matrix (1074.50757s) started
T01 << 1462360248.55446506 Calculate density matrix (1076.09979s) stopped
T01 >> 1462360248.55453300 Construct density (119.50436s) started
T01 << 1462360248.73943996 Construct density (119.68927s) stopped
T01 >> 1462360248.74083591 Symmetrize density (0.03017s) started
T01 << 1462360248.74087095 Symmetrize density (0.03020s) stopped
T01 << 1462360248.74130702 Pseudo density (1197.51219s) stopped
T01 >> 1462360248.74132609 Atomic density matrices (165.12546s) started
T01 << 1462360248.98648310 Atomic density matrices (165.37062s) stopped
T01 >> 1462360248.98651910 Multipole moments (2.70253s) started
T01 << 1462360248.99078798 Multipole moments (2.70680s) stopped
T01 >> 1462360248.99080992 Normalize (0.74014s) started
T01 << 1462360248.99194407 Normalize (0.74128s) stopped
T01 >> 1462360248.99198103 Mix (80.03376s) started
T01 << 1462360249.10363507 Mix (80.14542s) stopped
T01 << 1462360249.10374904 Density (1446.52285s) stopped
T01 >> 1462360249.10386610 Hamiltonian (16247.13507s) started
T01 >> 1462360249.10388708 vbar (9.83915s) started
T01 << 1462360249.11880898 vbar (9.85407s) stopped
T01 >> 1462360249.11886907 XC 3D grid (7036.51277s) started
T01 >> 1462360249.29988503 van der Waals (6792.69791s) started
T01 >> 1462360249.34186792 semilocal (1524.41187s) started
T01 << 1462360251.55047393 semilocal (1526.62048s) stopped
T01 >> 1462360251.58137202 redistribute (733.84172s) started
T01 << 1462360251.97012711 redistribute (734.23047s) stopped
T01 >> 1462360251.97019410 libvdwxc nonlocal (4482.77412s) started
T01 << 1462360258.65903497 libvdwxc nonlocal (4489.46296s) stopped
T01 >> 1462360258.65909290 redistribute (734.23051s) started
T01 << 1462360259.31244302 redistribute (734.88386s) stopped
T01 << 1462360259.31369209 van der Waals (6802.71172s) stopped
T01 << 1462360259.49746299 XC 3D grid (7046.89136s) stopped
T01 >> 1462360259.49751306 Poisson (1414.32188s) started
T01 << 1462360261.29591107 Poisson (1416.12028s) stopped
T01 >> 1462360261.29599404 Hartree integrate/restrict (55.78672s) started
T01 << 1462360261.31530690 Hartree integrate/restrict (55.80603s) stopped
T01 >> 1462360261.31535602 Hartree integrate/restrict (55.80606s) started
T01 << 1462360261.37732100 Hartree integrate/restrict (55.86803s) stopped
T01 >> 1462360261.39583397 Atomic (4323.80841s) started
T01 >> 1462360261.40575290 XC Correction (4314.87662s) started
T01 << 1462360267.56270409 XC Correction (4321.03357s) stopped
T01 << 1462360267.56572104 Atomic (4329.97829s) stopped
T01 >> 1462360267.56581998 Communicate (3392.31772s) started
T01 << 1462360273.30085301 Communicate (3398.05275s) stopped
T01 << 1462360273.30087590 Hamiltonian (16271.33208s) stopped
T01 >> 1462360273.30094290 LCAO eigensolver (5871.42314s) started
T01 >> 1462360273.30095506 Potential matrix (190.25834s) started
T01 << 1462360273.57175207 Potential matrix (190.52914s) stopped
T01 >> 1462360273.57181692 DistributedAtomicCorrection (977.77205s) started
T01 << 1462360274.92605495 DistributedAtomicCorrection (979.12628s) stopped
T01 >> 1462360274.92612600 Distribute overlap matrix (858.54169s) started
T01 >> 1462360274.92614698 blocked summation (814.46608s) started
T01 << 1462360276.09353089 blocked summation (815.63346s) stopped
T01 >> 1462360276.09506702 Scalapack redistribute (42.89221s) started
T01 << 1462360276.15082097 Scalapack redistribute (42.94796s) stopped
T01 << 1462360276.15090394 Distribute overlap matrix (859.76647s) stopped
T01 >> 1462360276.15146208 Blacs Orbital Layouts (2014.55063s) started
T01 >> 1462360276.15240407 General diagonalize (1973.99538s) started
T01 << 1462360278.89393210 General diagonalize (1976.73691s) stopped
T01 >> 1462360278.89399695 Redistribute coefs (2.23097s) started
T01 << 1462360278.89695907 Redistribute coefs (2.23394s) stopped
T01 >> 1462360278.89704108 Send coefs to domains (37.14187s) started
T01 << 1462360278.94992590 Send coefs to domains (37.19475s) stopped
T01 << 1462360278.94998288 Blacs Orbital Layouts (2017.34915s) stopped
T01 >> 1462360278.95003295 Calculate projections (1829.66997s) started
T01 << 1462360281.41025496 Calculate projections (1832.13019s) stopped
T01 << 1462360281.41034007 LCAO eigensolver (5879.53254s) stopped
T01 >> 1462360281.41108489 Density (1446.52287s) started
T01 >> 1462360281.41109800 Pseudo density (1197.51220s) started
T01 >> 1462360281.41160607 Calculate density matrix (1076.09983s) started
T01 << 1462360283.01070189 Calculate density matrix (1077.69893s) stopped
T01 >> 1462360283.01078391 Construct density (119.68930s) started
T01 << 1462360283.19512796 Construct density (119.87364s) stopped
T01 >> 1462360283.19651890 Symmetrize density (0.03022s) started
T01 << 1462360283.19655108 Symmetrize density (0.03025s) stopped
T01 << 1462360283.19699502 Pseudo density (1199.29810s) stopped
T01 >> 1462360283.19701505 Atomic density matrices (165.37064s) started
T01 << 1462360283.44134903 Atomic density matrices (165.61497s) stopped
T01 >> 1462360283.44138503 Multipole moments (2.70681s) started
T01 << 1462360283.44561505 Multipole moments (2.71104s) stopped
T01 >> 1462360283.44563603 Normalize (0.74131s) started
T01 << 1462360283.44678211 Normalize (0.74245s) stopped
T01 >> 1462360283.44681692 Mix (80.14552s) started
T01 << 1462360283.56128812 Mix (80.26000s) stopped
T01 << 1462360283.56138992 Density (1448.67318s) stopped
T01 >> 1462360283.56150007 Hamiltonian (16271.33209s) started
T01 >> 1462360283.56152010 vbar (9.85411s) started
T01 << 1462360283.57672095 vbar (9.86931s) stopped
T01 >> 1462360283.57678390 XC 3D grid (7046.89140s) started
T01 >> 1462360283.75566912 van der Waals (6802.71176s) started
T01 >> 1462360283.79748297 semilocal (1526.62059s) started
T01 << 1462360286.02388692 semilocal (1528.84700s) stopped
T01 >> 1462360286.05485797 redistribute (734.88390s) started
T01 << 1462360286.42973495 redistribute (735.25878s) stopped
T01 >> 1462360286.42980409 libvdwxc nonlocal (4489.46300s) started
T01 << 1462360293.12205100 libvdwxc nonlocal (4496.15524s) stopped
T01 >> 1462360293.12211108 redistribute (735.25882s) started
T01 << 1462360293.77839088 redistribute (735.91510s) stopped
T01 << 1462360293.77984500 van der Waals (6812.73593s) stopped
T01 << 1462360293.96089911 XC 3D grid (7057.27551s) stopped
T01 >> 1462360293.96095395 Poisson (1416.12034s) started
T01 << 1462360296.34909606 Poisson (1418.50849s) stopped
T01 >> 1462360296.34916806 Hartree integrate/restrict (55.86806s) started
T01 << 1462360296.36825991 Hartree integrate/restrict (55.88715s) stopped
T01 >> 1462360296.36830807 Hartree integrate/restrict (55.88718s) started
T01 << 1462360296.42984796 Hartree integrate/restrict (55.94872s) stopped
T01 >> 1462360296.45148897 Atomic (4329.97831s) started
T01 >> 1462360296.46144509 XC Correction (4321.03359s) started
T01 << 1462360302.64137602 XC Correction (4327.21352s) stopped
T01 << 1462360302.64437103 Atomic (4336.17119s) stopped
T01 >> 1462360302.64447188 Communicate (3398.05276s) started
T01 << 1462360307.68987894 Communicate (3403.09817s) stopped
T01 << 1462360307.68990302 Hamiltonian (16295.46050s) stopped
T01 >> 1462360307.68996692 LCAO eigensolver (5879.53255s) started
T01 >> 1462360307.68998098 Potential matrix (190.52917s) started
T01 << 1462360307.95966601 Potential matrix (190.79886s) stopped
T01 >> 1462360307.95973301 DistributedAtomicCorrection (979.12631s) started
T01 << 1462360309.31136203 DistributedAtomicCorrection (980.47794s) stopped
T01 >> 1462360309.31143308 Distribute overlap matrix (859.76648s) started
T01 >> 1462360309.31145501 blocked summation (815.63350s) started
T01 << 1462360310.51174593 blocked summation (816.83380s) stopped
T01 >> 1462360310.51337004 Scalapack redistribute (42.94800s) started
T01 << 1462360310.57191300 Scalapack redistribute (43.00654s) stopped
T01 << 1462360310.57199311 Distribute overlap matrix (861.02704s) stopped
T01 >> 1462360310.57256699 Blacs Orbital Layouts (2017.34916s) started
T01 >> 1462360310.57346296 General diagonalize (1976.73695s) started
T01 << 1462360313.29592896 General diagonalize (1979.45941s) stopped
T01 >> 1462360313.29599190 Redistribute coefs (2.23397s) started
T01 << 1462360313.29900289 Redistribute coefs (2.23698s) stopped
T01 >> 1462360313.29908609 Send coefs to domains (37.19480s) started
T01 << 1462360313.35087395 Send coefs to domains (37.24659s) stopped
T01 << 1462360313.35092807 Blacs Orbital Layouts (2020.12752s) stopped
T01 >> 1462360313.35098910 Calculate projections (1832.13025s) started
T01 << 1462360315.81116199 Calculate projections (1834.59042s) stopped
T01 << 1462360315.81124806 LCAO eigensolver (5887.65383s) stopped
T01 >> 1462360315.81200004 Density (1448.67319s) started
T01 >> 1462360315.81201291 Pseudo density (1199.29811s) started
T01 >> 1462360315.81252193 Calculate density matrix (1077.69897s) started
T01 << 1462360317.41192198 Calculate density matrix (1079.29837s) stopped
T01 >> 1462360317.41201091 Construct density (119.87367s) started
T01 << 1462360317.59647608 Construct density (120.05813s) stopped
T01 >> 1462360317.59785008 Symmetrize density (0.03026s) started
T01 << 1462360317.59788299 Symmetrize density (0.03029s) stopped
T01 << 1462360317.59831905 Pseudo density (1201.08442s) stopped
T01 >> 1462360317.59833908 Atomic density matrices (165.61500s) started
T01 << 1462360317.84357810 Atomic density matrices (165.86024s) stopped
T01 >> 1462360317.84361410 Multipole moments (2.71106s) started
T01 << 1462360317.84787798 Multipole moments (2.71532s) stopped
T01 >> 1462360317.84789896 Normalize (0.74248s) started
T01 << 1462360317.84904408 Normalize (0.74362s) stopped
T01 >> 1462360317.84907889 Mix (80.26009s) started
T01 << 1462360317.96752191 Mix (80.37853s) stopped
T01 << 1462360317.96763611 Density (1450.82883s) stopped
T01 >> 1462360317.96774292 Hamiltonian (16295.46051s) started
T01 >> 1462360317.96776295 vbar (9.86934s) started
T01 << 1462360317.98256493 vbar (9.88414s) stopped
T01 >> 1462360317.98262691 XC 3D grid (7057.27555s) started
T01 >> 1462360318.15768909 van der Waals (6812.73597s) started
T01 >> 1462360318.20022202 semilocal (1528.84708s) started
T01 << 1462360320.41794801 semilocal (1531.06480s) stopped
T01 >> 1462360320.45019889 redistribute (735.91515s) started
T01 << 1462360320.84582496 redistribute (736.31077s) stopped
T01 >> 1462360320.84589291 libvdwxc nonlocal (4496.15528s) started
T01 << 1462360327.54382610 libvdwxc nonlocal (4502.85321s) stopped
T01 >> 1462360327.54391098 redistribute (736.31081s) started
T01 << 1462360328.19126296 redistribute (736.95816s) stopped
T01 << 1462360328.19236302 van der Waals (6822.77065s) stopped
T01 << 1462360328.37392402 XC 3D grid (7067.66685s) stopped
T01 >> 1462360328.37398195 Poisson (1418.50854s) started
T01 << 1462360330.75880909 Poisson (1420.89336s) stopped
T01 >> 1462360330.75890398 Hartree integrate/restrict (55.94876s) started
T01 << 1462360330.77769709 Hartree integrate/restrict (55.96756s) stopped
T01 >> 1462360330.77783608 Hartree integrate/restrict (55.96765s) started
T01 << 1462360330.84062099 Hartree integrate/restrict (56.03044s) stopped
T01 >> 1462360330.86349201 Atomic (4336.17121s) started
T01 >> 1462360330.87347007 XC Correction (4327.21355s) started
T01 << 1462360337.11245394 XC Correction (4333.45253s) stopped
T01 << 1462360337.11544299 Atomic (4342.42316s) stopped
T01 >> 1462360337.11554289 Communicate (3403.09819s) started
T01 << 1462360341.88027191 Communicate (3407.86292s) stopped
T01 << 1462360341.88029504 Hamiltonian (16319.37306s) stopped
T01 >> 1462360341.88035989 LCAO eigensolver (5887.65385s) started
T01 >> 1462360341.88037205 Potential matrix (190.79889s) started
T01 << 1462360342.15071893 Potential matrix (191.06924s) stopped
T01 >> 1462360342.15078712 DistributedAtomicCorrection (980.47797s) started
T01 << 1462360343.52137709 DistributedAtomicCorrection (981.84856s) stopped
T01 >> 1462360343.52144909 Distribute overlap matrix (861.02707s) started
T01 >> 1462360343.52147102 blocked summation (816.83384s) started
T01 << 1462360344.65126896 blocked summation (817.96363s) stopped
T01 >> 1462360344.65271902 Scalapack redistribute (43.00657s) started
T01 << 1462360344.71073389 Scalapack redistribute (43.06459s) stopped
T01 << 1462360344.71081996 Distribute overlap matrix (862.21644s) stopped
T01 >> 1462360344.71143508 Blacs Orbital Layouts (2020.12754s) started
T01 >> 1462360344.71277094 General diagonalize (1979.45945s) started
T01 << 1462360347.45860600 General diagonalize (1982.20528s) stopped
T01 >> 1462360347.45867205 Redistribute coefs (2.23701s) started
T01 << 1462360347.46239400 Redistribute coefs (2.24074s) stopped
T01 >> 1462360347.46244001 Send coefs to domains (37.24663s) started
T01 << 1462360347.51426506 Send coefs to domains (37.29845s) stopped
T01 << 1462360347.51461196 Blacs Orbital Layouts (2022.93071s) stopped
T01 >> 1462360347.51467609 Calculate projections (1834.59048s) started
T01 << 1462360349.97487712 Calculate projections (1837.05068s) stopped
T01 << 1462360349.97496009 LCAO eigensolver (5895.74845s) stopped
T01 >> 1462360349.97570491 Density (1450.82885s) started
T01 >> 1462360349.97571898 Pseudo density (1201.08443s) started
T01 >> 1462360349.97623301 Calculate density matrix (1079.29841s) started
T01 << 1462360351.57895088 Calculate density matrix (1080.90113s) stopped
T01 >> 1462360351.57903790 Construct density (120.05816s) started
T01 << 1462360351.76381707 Construct density (120.24294s) stopped
T01 >> 1462360351.76518989 Symmetrize density (0.03030s) started
T01 << 1462360351.76522303 Symmetrize density (0.03034s) stopped
T01 << 1462360351.76566601 Pseudo density (1202.87438s) stopped
T01 >> 1462360351.76568604 Atomic density matrices (165.86026s) started
T01 << 1462360352.01094890 Atomic density matrices (166.10552s) stopped
T01 >> 1462360352.01098490 Multipole moments (2.71534s) started
T01 << 1462360352.01523304 Multipole moments (2.71958s) stopped
T01 >> 1462360352.01525497 Normalize (0.74365s) started
T01 << 1462360352.01639104 Normalize (0.74478s) stopped
T01 >> 1462360352.01642704 Mix (80.37864s) started
T01 << 1462360352.13741589 Mix (80.49963s) stopped
T01 << 1462360352.13747501 Density (1452.99062s) stopped
T01 >> 1462360352.13758802 Hamiltonian (16319.37307s) started
T01 >> 1462360352.13760710 vbar (9.88418s) started
T01 << 1462360352.15235090 vbar (9.89892s) stopped
T01 >> 1462360352.15242004 XC 3D grid (7067.66689s) started
T01 >> 1462360352.33486891 van der Waals (6822.77070s) started
T01 >> 1462360352.37558007 semilocal (1531.06489s) started
T01 << 1462360354.60836506 semilocal (1533.29768s) stopped
T01 >> 1462360354.63954091 redistribute (736.95821s) started
T01 << 1462360355.01264095 redistribute (737.33131s) stopped
T01 >> 1462360355.01271105 libvdwxc nonlocal (4502.85327s) started
T01 << 1462360361.69668698 libvdwxc nonlocal (4509.53725s) stopped
T01 >> 1462360361.69674611 redistribute (737.33135s) started
T01 << 1462360362.36163092 redistribute (737.99623s) stopped
T01 << 1462360362.36320496 van der Waals (6832.79903s) stopped
T01 << 1462360362.53653002 XC 3D grid (7078.05100s) stopped
T01 >> 1462360362.53658104 Poisson (1420.89343s) started
T01 << 1462360364.91121411 Poisson (1423.26807s) stopped
T01 >> 1462360364.91130400 Hartree integrate/restrict (56.03047s) started
T01 << 1462360364.93050194 Hartree integrate/restrict (56.04967s) stopped
T01 >> 1462360364.93056893 Hartree integrate/restrict (56.04972s) started
T01 << 1462360364.99300098 Hartree integrate/restrict (56.11215s) stopped
T01 >> 1462360365.01084995 Atomic (4342.42318s) started
T01 >> 1462360365.02105403 XC Correction (4333.45255s) started
T01 << 1462360371.32136607 XC Correction (4339.75286s) stopped
T01 << 1462360371.32439303 Atomic (4348.73672s) stopped
T01 >> 1462360371.32449508 Communicate (3407.86293s) started
T01 << 1462360376.06898689 Communicate (3412.60742s) stopped
T01 << 1462360376.06901002 Hamiltonian (16343.30449s) stopped
T01 >> 1462360376.06907201 LCAO eigensolver (5895.74846s) started
T01 >> 1462360376.06908488 Potential matrix (191.06927s) started
T01 << 1462360376.34158707 Potential matrix (191.34177s) stopped
T01 >> 1462360376.34169888 DistributedAtomicCorrection (981.84858s) started
T01 << 1462360377.69047999 DistributedAtomicCorrection (983.19736s) stopped
T01 >> 1462360377.69055200 Distribute overlap matrix (862.21645s) started
T01 >> 1462360377.69057393 blocked summation (817.96368s) started
T01 << 1462360378.83008409 blocked summation (819.10319s) stopped
T01 >> 1462360378.83172202 Scalapack redistribute (43.06463s) started
T01 << 1462360378.89106703 Scalapack redistribute (43.12397s) stopped
T01 << 1462360378.89115810 Distribute overlap matrix (863.41706s) stopped
T01 >> 1462360378.89176607 Blacs Orbital Layouts (2022.93073s) started
T01 >> 1462360378.89311910 General diagonalize (1982.20533s) started
T01 << 1462360381.62003994 General diagonalize (1984.93225s) stopped
T01 >> 1462360381.62010288 Redistribute coefs (2.24077s) started
T01 << 1462360381.62380910 Redistribute coefs (2.24448s) stopped
T01 >> 1462360381.62385511 Send coefs to domains (37.29850s) started
T01 << 1462360381.67529392 Send coefs to domains (37.34994s) stopped
T01 << 1462360381.67562795 Blacs Orbital Layouts (2025.71459s) stopped
T01 >> 1462360381.67569494 Calculate projections (1837.05074s) started
T01 << 1462360384.13617110 Calculate projections (1839.51121s) stopped
T01 << 1462360384.13644695 LCAO eigensolver (5903.81584s) stopped
T01 >> 1462360384.13718390 Density (1452.99064s) started
T01 >> 1462360384.13719702 Pseudo density (1202.87439s) started
T01 >> 1462360384.13771105 Calculate density matrix (1080.90117s) started
T01 << 1462360385.74289107 Calculate density matrix (1082.50635s) stopped
T01 >> 1462360385.74297810 Construct density (120.24297s) started
T01 << 1462360385.92724490 Construct density (120.42723s) stopped
T01 >> 1462360385.92953992 Symmetrize density (0.03035s) started
T01 << 1462360385.92957401 Symmetrize density (0.03038s) stopped
T01 << 1462360385.93001699 Pseudo density (1204.66721s) stopped
T01 >> 1462360385.93003607 Atomic density matrices (166.10555s) started
T01 << 1462360386.17346811 Atomic density matrices (166.34898s) stopped
T01 >> 1462360386.17350292 Multipole moments (2.71960s) started
T01 << 1462360386.17778611 Multipole moments (2.72388s) stopped
T01 >> 1462360386.17780805 Normalize (0.74481s) started
T01 << 1462360386.17895794 Normalize (0.74596s) stopped
T01 >> 1462360386.17899394 Mix (80.49969s) started
T01 << 1462360386.30136895 Mix (80.62207s) stopped
T01 << 1462360386.30148101 Density (1455.15493s) stopped
T01 >> 1462360386.30160308 Hamiltonian (16343.30451s) started
T01 >> 1462360386.30162311 vbar (9.89896s) started
T01 << 1462360386.31620598 vbar (9.91354s) stopped
T01 >> 1462360386.31628299 XC 3D grid (7078.05104s) started
T01 >> 1462360386.49780107 van der Waals (6832.79913s) started
T01 >> 1462360386.53783202 semilocal (1533.29774s) started
T01 << 1462360388.75724602 semilocal (1535.51715s) stopped
T01 >> 1462360388.78652096 redistribute (737.99635s) started
T01 << 1462360389.18062806 redistribute (738.39045s) stopped
T01 >> 1462360389.18069911 libvdwxc nonlocal (4509.53728s) started
T01 << 1462360395.87062407 libvdwxc nonlocal (4516.22721s) stopped
T01 >> 1462360395.87069297 redistribute (738.39050s) started
T01 << 1462360396.53443098 redistribute (739.05423s) stopped
T01 << 1462360396.53575897 van der Waals (6842.83709s) stopped
T01 << 1462360396.70911002 XC 3D grid (7088.44387s) stopped
T01 >> 1462360396.70916104 Poisson (1423.26814s) started
T01 << 1462360398.50020599 Poisson (1425.05918s) stopped
T01 >> 1462360398.50028110 Hartree integrate/restrict (56.11219s) started
T01 << 1462360398.51937604 Hartree integrate/restrict (56.13128s) stopped
T01 >> 1462360398.51942992 Hartree integrate/restrict (56.13132s) started
T01 << 1462360398.58151793 Hartree integrate/restrict (56.19340s) stopped
T01 >> 1462360398.59989905 Atomic (4348.73674s) started
T01 >> 1462360398.61019111 XC Correction (4339.75289s) started
T01 << 1462360404.92280889 XC Correction (4346.06550s) stopped
T01 << 1462360404.92583203 Atomic (4355.06267s) stopped
T01 >> 1462360404.92593002 Communicate (3412.60744s) started
T01 << 1462360409.68706703 Communicate (3417.36858s) stopped
T01 << 1462360409.68708992 Hamiltonian (16366.68999s) stopped
T01 >> 1462360409.68715596 LCAO eigensolver (5903.81585s) started
T01 >> 1462360409.68716788 Potential matrix (191.34185s) started
T01 << 1462360409.95778298 Potential matrix (191.61247s) stopped
T01 >> 1462360409.95784807 DistributedAtomicCorrection (983.19739s) started
T01 << 1462360411.30731797 DistributedAtomicCorrection (984.54686s) stopped
T01 >> 1462360411.30738902 Distribute overlap matrix (863.41707s) started
T01 >> 1462360411.30741000 blocked summation (819.10322s) started
T01 << 1462360412.44202709 blocked summation (820.23784s) stopped
T01 >> 1462360412.44363308 Scalapack redistribute (43.12401s) started
T01 << 1462360412.50386190 Scalapack redistribute (43.18424s) stopped
T01 << 1462360412.50395703 Distribute overlap matrix (864.61364s) stopped
T01 >> 1462360412.50455689 Blacs Orbital Layouts (2025.71462s) started
T01 >> 1462360412.50590396 General diagonalize (1984.93229s) started
T01 << 1462360415.22188210 General diagonalize (1987.64826s) stopped
T01 >> 1462360415.22194505 Redistribute coefs (2.24451s) started
T01 << 1462360415.22562790 Redistribute coefs (2.24820s) stopped
T01 >> 1462360415.22567701 Send coefs to domains (37.34998s) started
T01 << 1462360415.27700710 Send coefs to domains (37.40131s) stopped
T01 << 1462360415.27732992 Blacs Orbital Layouts (2028.48739s) stopped
T01 >> 1462360415.27739692 Calculate projections (1839.51127s) started
T01 << 1462360417.73762012 Calculate projections (1841.97149s) stopped
T01 << 1462360417.73790193 LCAO eigensolver (5911.86660s) stopped
T01 >> 1462360417.73863101 Density (1455.15495s) started
T01 >> 1462360417.73864889 Pseudo density (1204.66723s) started
T01 >> 1462360417.73917198 Calculate density matrix (1082.50639s) started
T01 << 1462360419.34151793 Calculate density matrix (1084.10874s) stopped
T01 >> 1462360419.34160089 Construct density (120.42726s) started
T01 << 1462360419.52567196 Construct density (120.61133s) stopped
T01 >> 1462360419.52793193 Symmetrize density (0.03039s) started
T01 << 1462360419.52796507 Symmetrize density (0.03043s) stopped
T01 << 1462360419.52839994 Pseudo density (1206.45698s) stopped
T01 >> 1462360419.52841997 Atomic density matrices (166.34900s) started
T01 << 1462360419.77308393 Atomic density matrices (166.59367s) stopped
T01 >> 1462360419.77311993 Multipole moments (2.72390s) started
T01 << 1462360419.77741408 Multipole moments (2.72819s) stopped
T01 >> 1462360419.77743506 Normalize (0.74598s) started
T01 << 1462360419.77857709 Normalize (0.74713s) stopped
T01 >> 1462360419.77861190 Mix (80.62217s) started
T01 << 1462360419.90020204 Mix (80.74376s) stopped
T01 << 1462360419.90030694 Density (1457.31663s) stopped
T01 >> 1462360419.90043712 Hamiltonian (16366.69001s) started
T01 >> 1462360419.90045905 vbar (9.91359s) started
T01 << 1462360419.91613007 vbar (9.92926s) stopped
T01 >> 1462360419.91620302 XC 3D grid (7088.44391s) started
T01 >> 1462360420.09543991 van der Waals (6842.83714s) started
T01 >> 1462360420.13789296 semilocal (1535.51724s) started
T01 << 1462360422.36295104 semilocal (1537.74229s) stopped
T01 >> 1462360422.39474297 redistribute (739.05429s) started
T01 << 1462360422.77103710 redistribute (739.43059s) stopped
T01 >> 1462360422.77110505 libvdwxc nonlocal (4516.22725s) started
T01 << 1462360429.44467998 libvdwxc nonlocal (4522.90083s) stopped
T01 >> 1462360429.44476199 redistribute (739.43063s) started
T01 << 1462360430.12038207 redistribute (740.10625s) stopped
T01 << 1462360430.12168789 van der Waals (6852.86339s) stopped
T01 << 1462360430.29489708 XC 3D grid (7098.82260s) stopped
T01 >> 1462360430.29496002 Poisson (1425.05924s) started
T01 << 1462360432.67007494 Poisson (1427.43435s) stopped
T01 >> 1462360432.67019200 Hartree integrate/restrict (56.19345s) started
T01 << 1462360432.68915510 Hartree integrate/restrict (56.21241s) stopped
T01 >> 1462360432.68927097 Hartree integrate/restrict (56.21249s) started
T01 << 1462360432.75224495 Hartree integrate/restrict (56.27547s) stopped
T01 >> 1462360432.77000690 Atomic (4355.06269s) started
T01 >> 1462360432.78033400 XC Correction (4346.06553s) started
T01 << 1462360439.08614111 XC Correction (4352.37134s) stopped
T01 << 1462360439.08918691 Atomic (4361.38187s) stopped
T01 >> 1462360439.08928895 Communicate (3417.36859s) started
T01 << 1462360443.78239393 Communicate (3422.06170s) stopped
T01 << 1462360443.78241706 Hamiltonian (16390.57199s) stopped
T01 >> 1462360443.78248310 LCAO eigensolver (5911.86662s) started
T01 >> 1462360443.78249598 Potential matrix (191.61250s) started
T01 << 1462360444.05457592 Potential matrix (191.88458s) stopped
T01 >> 1462360444.05464602 DistributedAtomicCorrection (984.54689s) started
T01 << 1462360445.40450311 DistributedAtomicCorrection (985.89675s) stopped
T01 >> 1462360445.40457296 Distribute overlap matrix (864.61365s) started
T01 >> 1462360445.40459394 blocked summation (820.23788s) started
T01 << 1462360446.54882312 blocked summation (821.38211s) stopped
T01 >> 1462360446.55056810 Scalapack redistribute (43.18428s) started
T01 << 1462360446.60870790 Scalapack redistribute (43.24242s) stopped
T01 << 1462360446.60879707 Distribute overlap matrix (865.81787s) stopped
T01 >> 1462360446.60936809 Blacs Orbital Layouts (2028.48741s) started
T01 >> 1462360446.61077309 General diagonalize (1987.64830s) started
T01 << 1462360449.32967401 General diagonalize (1990.36721s) stopped
T01 >> 1462360449.32973790 Redistribute coefs (2.24824s) started
T01 << 1462360449.33350492 Redistribute coefs (2.25200s) stopped
T01 >> 1462360449.33355188 Send coefs to domains (37.40136s) started
T01 << 1462360449.38439703 Send coefs to domains (37.45220s) stopped
T01 << 1462360449.38472605 Blacs Orbital Layouts (2031.26277s) stopped
T01 >> 1462360449.38479304 Calculate projections (1841.97156s) started
T01 << 1462360451.84530807 Calculate projections (1844.43207s) stopped
T01 << 1462360451.84558797 LCAO eigensolver (5919.92972s) stopped
T01 >> 1462360451.84645104 Density (1457.31665s) started
T01 >> 1462360451.84646392 Pseudo density (1206.45699s) started
T01 >> 1462360451.84697795 Calculate density matrix (1084.10878s) started
T01 << 1462360453.44448495 Calculate density matrix (1085.70629s) stopped
T01 >> 1462360453.44457102 Construct density (120.61136s) started
T01 << 1462360453.62857389 Construct density (120.79537s) stopped
T01 >> 1462360453.63096309 Symmetrize density (0.03044s) started
T01 << 1462360453.63099599 Symmetrize density (0.03047s) stopped
T01 << 1462360453.63142896 Pseudo density (1208.24196s) stopped
T01 >> 1462360453.63144994 Atomic density matrices (166.59369s) started
T01 << 1462360453.87639809 Atomic density matrices (166.83864s) stopped
T01 >> 1462360453.87643504 Multipole moments (2.72820s) started
T01 << 1462360453.88071990 Multipole moments (2.73249s) stopped
T01 >> 1462360453.88074207 Normalize (0.74715s) started
T01 << 1462360453.88189197 Normalize (0.74830s) stopped
T01 >> 1462360453.88192701 Mix (80.74386s) started
T01 << 1462360454.00340891 Mix (80.86534s) stopped
T01 << 1462360454.00346708 Density (1459.47366s) stopped
T01 >> 1462360454.00359201 Hamiltonian (16390.57200s) started
T01 >> 1462360454.00361300 vbar (9.92930s) started
T01 << 1462360454.01830196 vbar (9.94399s) stopped
T01 >> 1462360454.01836801 XC 3D grid (7098.82265s) started
T01 >> 1462360454.19748592 van der Waals (6852.86346s) started
T01 >> 1462360454.23910809 semilocal (1537.74240s) started
T01 << 1462360456.47521996 semilocal (1539.97851s) stopped
T01 >> 1462360456.50623608 redistribute (740.10631s) started
T01 << 1462360456.87817192 redistribute (740.47824s) stopped
T01 >> 1462360456.87824011 libvdwxc nonlocal (4522.90089s) started
T01 << 1462360463.56364107 libvdwxc nonlocal (4529.58629s) stopped
T01 >> 1462360463.56370592 redistribute (740.47828s) started
T01 << 1462360464.22709990 redistribute (741.14167s) stopped
T01 << 1462360464.22844100 van der Waals (6862.89441s) stopped
T01 << 1462360464.39874101 XC 3D grid (7109.20302s) stopped
T01 >> 1462360464.39878988 Poisson (1427.43444s) started
T01 << 1462360466.18667006 Poisson (1429.22232s) stopped
T01 >> 1462360466.18673992 Hartree integrate/restrict (56.27553s) started
T01 << 1462360466.20592403 Hartree integrate/restrict (56.29471s) stopped
T01 >> 1462360466.20597100 Hartree integrate/restrict (56.29474s) started
T01 << 1462360466.26869988 Hartree integrate/restrict (56.35747s) stopped
T01 >> 1462360466.28644705 Atomic (4361.38188s) started
T01 >> 1462360466.29684591 XC Correction (4352.37136s) started
T01 << 1462360472.63437009 XC Correction (4358.70888s) stopped
T01 << 1462360472.63739204 Atomic (4367.73283s) stopped
T01 >> 1462360472.63749290 Communicate (3422.06171s) started
T01 << 1462360477.28580308 Communicate (3426.71002s) stopped
T01 << 1462360477.28582501 Hamiltonian (16413.85423s) stopped
T01 >> 1462360477.28588891 LCAO eigensolver (5919.92974s) started
T01 >> 1462360477.28590202 Potential matrix (191.88461s) started
T01 << 1462360477.55498600 Potential matrix (192.15370s) stopped
T01 >> 1462360477.55504990 DistributedAtomicCorrection (985.89678s) started
T01 << 1462360478.90505290 DistributedAtomicCorrection (987.24678s) stopped
T01 >> 1462360478.90512395 Distribute overlap matrix (865.81788s) started
T01 >> 1462360478.90514588 blocked summation (821.38215s) started
T01 << 1462360480.05912304 blocked summation (822.53613s) stopped
T01 >> 1462360480.06077099 Scalapack redistribute (43.24245s) started
T01 << 1462360480.11950302 Scalapack redistribute (43.30119s) stopped
T01 << 1462360480.11960006 Distribute overlap matrix (867.03236s) stopped
T01 >> 1462360480.12019992 Blacs Orbital Layouts (2031.26278s) started
T01 >> 1462360480.12155390 General diagonalize (1990.36724s) started
T01 << 1462360482.82006192 General diagonalize (1993.06575s) stopped
T01 >> 1462360482.82012391 Redistribute coefs (2.25204s) started
T01 << 1462360482.82380104 Redistribute coefs (2.25572s) stopped
T01 >> 1462360482.82384706 Send coefs to domains (37.45224s) started
T01 << 1462360482.87591100 Send coefs to domains (37.50431s) stopped
T01 << 1462360482.87623000 Blacs Orbital Layouts (2034.01881s) stopped
T01 >> 1462360482.87629008 Calculate projections (1844.43213s) started
T01 << 1462360485.33631492 Calculate projections (1846.89215s) stopped
T01 << 1462360485.33659291 LCAO eigensolver (5927.98045s) stopped
T01 >> 1462360485.33733606 Density (1459.47368s) started
T01 >> 1462360485.33734894 Pseudo density (1208.24197s) started
T01 >> 1462360485.33785605 Calculate density matrix (1085.70633s) started
T01 << 1462360486.94301796 Calculate density matrix (1087.31149s) stopped
T01 >> 1462360486.94309998 Construct density (120.79539s) started
T01 << 1462360487.12743711 Construct density (120.97973s) stopped
T01 >> 1462360487.12971091 Symmetrize density (0.03048s) started
T01 << 1462360487.12974405 Symmetrize density (0.03051s) stopped
T01 << 1462360487.13018298 Pseudo density (1210.03481s) stopped
T01 >> 1462360487.13020301 Atomic density matrices (166.83866s) started
T01 << 1462360487.37606311 Atomic density matrices (167.08452s) stopped
T01 >> 1462360487.37609911 Multipole moments (2.73250s) started
T01 << 1462360487.38037610 Multipole moments (2.73678s) stopped
T01 >> 1462360487.38039708 Normalize (0.74833s) started
T01 << 1462360487.38152909 Normalize (0.74946s) stopped
T01 >> 1462360487.38156509 Mix (80.86540s) started
T01 << 1462360487.50465202 Mix (80.98848s) stopped
T01 << 1462360487.50476289 Density (1461.64111s) stopped
T01 >> 1462360487.50489497 Hamiltonian (16413.85425s) started
T01 >> 1462360487.50491595 vbar (9.94403s) started
T01 << 1462360487.51945210 vbar (9.95856s) stopped
T01 >> 1462360487.51953912 XC 3D grid (7109.20306s) started
T01 >> 1462360487.70345807 van der Waals (6862.89451s) started
T01 >> 1462360487.74354696 semilocal (1539.97858s) started
T01 << 1462360489.98847508 semilocal (1542.22351s) stopped
T01 >> 1462360490.02085805 redistribute (741.14178s) started
T01 << 1462360490.39113998 redistribute (741.51206s) stopped
T01 >> 1462360490.39121008 libvdwxc nonlocal (4529.58633s) started
T01 << 1462360497.05709195 libvdwxc nonlocal (4536.25221s) stopped
T01 >> 1462360497.05717111 redistribute (741.51210s) started
T01 << 1462360497.72610402 redistribute (742.18103s) stopped
T01 << 1462360497.72745705 van der Waals (6872.91851s) stopped
T01 << 1462360497.90037107 XC 3D grid (7119.58389s) stopped
T01 >> 1462360497.90042806 Poisson (1429.22237s) started
T01 << 1462360499.69191790 Poisson (1431.01386s) stopped
T01 >> 1462360499.69200492 Hartree integrate/restrict (56.35750s) started
T01 << 1462360499.71100211 Hartree integrate/restrict (56.37650s) stopped
T01 >> 1462360499.71105003 Hartree integrate/restrict (56.37653s) started
T01 << 1462360499.77994609 Hartree integrate/restrict (56.44543s) stopped
T01 >> 1462360499.79254508 Atomic (4367.73284s) started
T01 >> 1462360499.80305195 XC Correction (4358.70891s) started
T01 << 1462360506.30427194 XC Correction (4365.21013s) stopped
T01 << 1462360506.30731392 Atomic (4374.24761s) stopped
T01 >> 1462360506.30741811 Communicate (3426.71004s) started
T01 << 1462360510.79656601 Communicate (3431.19919s) stopped
T01 << 1462360510.79658794 Hamiltonian (16437.14594s) stopped
T01 >> 1462360510.79665494 LCAO eigensolver (5927.98047s) started
T01 >> 1462360510.79666805 Potential matrix (192.15373s) started
T01 << 1462360511.06636190 Potential matrix (192.42342s) stopped
T01 >> 1462360511.06642890 DistributedAtomicCorrection (987.24681s) started
T01 << 1462360512.42695498 DistributedAtomicCorrection (988.60733s) stopped
T01 >> 1462360512.42702603 Distribute overlap matrix (867.03237s) started
T01 >> 1462360512.42704701 blocked summation (822.53616s) started
T01 << 1462360513.55579901 blocked summation (823.66492s) stopped
T01 >> 1462360513.55741811 Scalapack redistribute (43.30122s) started
T01 << 1462360513.61748290 Scalapack redistribute (43.36129s) stopped
T01 << 1462360513.61757898 Distribute overlap matrix (868.22292s) stopped
T01 >> 1462360513.61818099 Blacs Orbital Layouts (2034.01883s) started
T01 >> 1462360513.61953092 General diagonalize (1993.06579s) started
T01 << 1462360516.35460401 General diagonalize (1995.80086s) stopped
T01 >> 1462360516.35467196 Redistribute coefs (2.25575s) started
T01 << 1462360516.35830593 Redistribute coefs (2.25939s) stopped
T01 >> 1462360516.35835195 Send coefs to domains (37.50435s) started
T01 << 1462360516.40949988 Send coefs to domains (37.55550s) stopped
T01 << 1462360516.40980697 Blacs Orbital Layouts (2036.81046s) stopped
T01 >> 1462360516.40986705 Calculate projections (1846.89221s) started
T01 << 1462360518.87008309 Calculate projections (1849.35243s) stopped
T01 << 1462360518.87035990 LCAO eigensolver (5936.05417s) stopped
T01 >> 1462360518.87107897 Density (1461.64113s) started
T01 >> 1462360518.87109208 Pseudo density (1210.03482s) started
T01 >> 1462360518.87160492 Calculate density matrix (1087.31153s) started
T01 << 1462360520.47025394 Calculate density matrix (1088.91018s) stopped
T01 >> 1462360520.47034001 Construct density (120.97976s) started
T01 << 1462360520.65442300 Construct density (121.16384s) stopped
T01 >> 1462360520.65668797 Symmetrize density (0.03052s) started
T01 << 1462360520.65672207 Symmetrize density (0.03056s) stopped
T01 << 1462360520.65715694 Pseudo density (1211.82089s) stopped
T01 >> 1462360520.65717602 Atomic density matrices (167.08455s) started
T01 << 1462360520.90249300 Atomic density matrices (167.32986s) stopped
T01 >> 1462360520.90252900 Multipole moments (2.73679s) started
T01 << 1462360520.90684199 Multipole moments (2.74111s) stopped
T01 >> 1462360520.90686393 Normalize (0.74948s) started
T01 << 1462360520.90800595 Normalize (0.75063s) stopped
T01 >> 1462360520.90804410 Mix (80.98859s) started
T01 << 1462360521.02948308 Mix (81.11003s) stopped
T01 << 1462360521.02957511 Density (1463.79962s) stopped
T01 >> 1462360521.02969909 Hamiltonian (16437.14595s) started
T01 >> 1462360521.02972102 vbar (9.95861s) started
T01 << 1462360521.04508591 vbar (9.97398s) stopped
T01 >> 1462360521.04515004 XC 3D grid (7119.58393s) started
T01 >> 1462360521.22937894 van der Waals (6872.91859s) started
T01 >> 1462360521.27000999 semilocal (1542.22356s) started
T01 << 1462360523.50022602 semilocal (1544.45377s) stopped
T01 >> 1462360523.53061008 redistribute (742.18109s) started
T01 << 1462360523.91603994 redistribute (742.56652s) stopped
T01 >> 1462360523.91610599 libvdwxc nonlocal (4536.25226s) started
T01 << 1462360530.61659908 libvdwxc nonlocal (4542.95276s) stopped
T01 >> 1462360530.61669493 redistribute (742.56656s) started
T01 << 1462360531.28551507 redistribute (743.23538s) stopped
T01 << 1462360531.28682709 van der Waals (6882.97604s) stopped
T01 << 1462360531.46031809 XC 3D grid (7129.99910s) stopped
T01 >> 1462360531.46037006 Poisson (1431.01393s) started
T01 << 1462360533.24978399 Poisson (1432.80334s) stopped
T01 >> 1462360533.24985504 Hartree integrate/restrict (56.44546s) started
T01 << 1462360533.26871705 Hartree integrate/restrict (56.46432s) stopped
T01 >> 1462360533.26881504 Hartree integrate/restrict (56.46439s) started
T01 << 1462360533.33132696 Hartree integrate/restrict (56.52690s) stopped
T01 >> 1462360533.35462809 Atomic (4374.24763s) started
T01 >> 1462360533.36516190 XC Correction (4365.21015s) started
T01 << 1462360539.70179391 XC Correction (4371.54678s) stopped
T01 << 1462360539.70486212 Atomic (4380.59786s) stopped
T01 >> 1462360539.70496511 Communicate (3431.19920s) started
T01 << 1462360544.31954408 Communicate (3435.81378s) stopped
T01 << 1462360544.31956697 Hamiltonian (16460.43582s) stopped
T01 >> 1462360544.31962991 LCAO eigensolver (5936.05419s) started
T01 >> 1462360544.31964207 Potential matrix (192.42346s) started
T01 << 1462360544.59051800 Potential matrix (192.69433s) stopped
T01 >> 1462360544.59058499 DistributedAtomicCorrection (988.60736s) started
T01 << 1462360545.93915701 DistributedAtomicCorrection (989.95593s) stopped
T01 >> 1462360545.93922710 Distribute overlap matrix (868.22294s) started
T01 >> 1462360545.93924904 blocked summation (823.66496s) started
T01 << 1462360547.08724308 blocked summation (824.81295s) stopped
T01 >> 1462360547.08900905 Scalapack redistribute (43.36133s) started
T01 << 1462360547.14724493 Scalapack redistribute (43.41956s) stopped
T01 << 1462360547.14733696 Distribute overlap matrix (869.43105s) stopped
T01 >> 1462360547.14792109 Blacs Orbital Layouts (2036.81048s) started
T01 >> 1462360547.14958596 General diagonalize (1995.80091s) started
T01 << 1462360549.90581894 General diagonalize (1998.55714s) stopped
T01 >> 1462360549.90588403 Redistribute coefs (2.25942s) started
T01 << 1462360549.90954995 Redistribute coefs (2.26309s) stopped
T01 >> 1462360549.90959692 Send coefs to domains (37.55554s) started
T01 << 1462360549.96124005 Send coefs to domains (37.60718s) stopped
T01 << 1462360549.96158004 Blacs Orbital Layouts (2039.62414s) stopped
T01 >> 1462360549.96164799 Calculate projections (1849.35249s) started
T01 << 1462360552.42210293 Calculate projections (1851.81294s) stopped
T01 << 1462360552.42236900 LCAO eigensolver (5944.15693s) stopped
T01 >> 1462360552.42326903 Density (1463.79964s) started
T01 >> 1462360552.42328191 Pseudo density (1211.82090s) started
T01 >> 1462360552.42380309 Calculate density matrix (1088.91023s) started
T01 << 1462360554.02468109 Calculate density matrix (1090.51111s) stopped
T01 >> 1462360554.02476597 Construct density (121.16387s) started
T01 << 1462360554.20886493 Construct density (121.34797s) stopped
T01 >> 1462360554.21125698 Symmetrize density (0.03057s) started
T01 << 1462360554.21129203 Symmetrize density (0.03061s) stopped
T01 << 1462360554.21174407 Pseudo density (1213.60936s) stopped
T01 >> 1462360554.21176291 Atomic density matrices (167.32989s) started
T01 << 1462360554.45682001 Atomic density matrices (167.57495s) stopped
T01 >> 1462360554.45685601 Multipole moments (2.74112s) started
T01 << 1462360554.46114302 Multipole moments (2.74541s) stopped
T01 >> 1462360554.46116495 Normalize (0.75065s) started
T01 << 1462360554.46231389 Normalize (0.75180s) stopped
T01 >> 1462360554.46234989 Mix (81.11012s) started
T01 << 1462360554.58507800 Mix (81.23284s) stopped
T01 << 1462360554.58518100 Density (1465.96155s) stopped
T01 >> 1462360554.58529592 Hamiltonian (16460.43583s) started
T01 >> 1462360554.58538890 vbar (9.97401s) started
T01 << 1462360554.59986711 vbar (9.98849s) stopped
T01 >> 1462360554.59996104 XC 3D grid (7129.99914s) started
T01 >> 1462360554.78353691 van der Waals (6882.97611s) started
T01 >> 1462360554.82388592 semilocal (1544.45388s) started
T01 << 1462360557.04623604 semilocal (1546.67623s) stopped
T01 >> 1462360557.07546806 redistribute (743.23546s) started
T01 << 1462360557.46678400 redistribute (743.62677s) stopped
T01 >> 1462360557.46685195 libvdwxc nonlocal (4542.95283s) started
T01 << 1462360564.16570497 libvdwxc nonlocal (4549.65168s) stopped
T01 >> 1462360564.16576290 redistribute (743.62681s) started
T01 << 1462360564.83103108 redistribute (744.29208s) stopped
T01 << 1462360564.83228803 van der Waals (6893.02486s) stopped
T01 << 1462360565.00500011 XC 3D grid (7140.40418s) stopped
T01 >> 1462360565.00505996 Poisson (1432.80340s) started
T01 << 1462360566.79359889 Poisson (1434.59193s) stopped
T01 >> 1462360566.79369402 Hartree integrate/restrict (56.52694s) started
T01 << 1462360566.81311297 Hartree integrate/restrict (56.54636s) stopped
T01 >> 1462360566.81316090 Hartree integrate/restrict (56.54639s) started
T01 << 1462360566.87522411 Hartree integrate/restrict (56.60845s) stopped
T01 >> 1462360566.89583492 Atomic (4380.59788s) started
T01 >> 1462360566.90616298 XC Correction (4371.54681s) started
T01 << 1462360573.18406796 XC Correction (4377.82471s) stopped
T01 << 1462360573.18712091 Atomic (4386.88917s) stopped
T01 >> 1462360573.18722391 Communicate (3435.81380s) started
T01 << 1462360577.92550707 Communicate (3440.55208s) stopped
T01 << 1462360577.92552900 Hamiltonian (16483.77607s) stopped
T01 >> 1462360577.92559409 LCAO eigensolver (5944.15695s) started
T01 >> 1462360577.92560697 Potential matrix (192.69437s) started
T01 << 1462360578.19674993 Potential matrix (192.96551s) stopped
T01 >> 1462360578.19681811 DistributedAtomicCorrection (989.95596s) started
T01 << 1462360579.54701591 DistributedAtomicCorrection (991.30616s) stopped
T01 >> 1462360579.54708600 Distribute overlap matrix (869.43106s) started
T01 >> 1462360579.54710698 blocked summation (824.81299s) started
T01 << 1462360580.71509695 blocked summation (825.98098s) stopped
T01 >> 1462360580.71668601 Scalapack redistribute (43.41960s) started
T01 << 1462360580.77567410 Scalapack redistribute (43.47859s) stopped
T01 << 1462360580.77576399 Distribute overlap matrix (870.65974s) stopped
T01 >> 1462360580.77635288 Blacs Orbital Layouts (2039.62415s) started
T01 >> 1462360580.77770209 General diagonalize (1998.55718s) started
T01 << 1462360583.47906208 General diagonalize (2001.25854s) stopped
T01 >> 1462360583.47912502 Redistribute coefs (2.26312s) started
T01 << 1462360583.48280001 Redistribute coefs (2.26680s) stopped
T01 >> 1462360583.48284698 Send coefs to domains (37.60722s) started
T01 << 1462360583.53418112 Send coefs to domains (37.65856s) stopped
T01 << 1462360583.53450990 Blacs Orbital Layouts (2042.38231s) stopped
T01 >> 1462360583.53457904 Calculate projections (1851.81300s) started
T01 << 1462360585.99505496 Calculate projections (1854.27347s) stopped
T01 << 1462360585.99533105 LCAO eigensolver (5952.22668s) stopped
T01 >> 1462360585.99606705 Density (1465.96157s) started
T01 >> 1462360585.99607992 Pseudo density (1213.60938s) started
T01 >> 1462360585.99660110 Calculate density matrix (1090.51115s) started
T01 << 1462360587.59677792 Calculate density matrix (1092.11133s) stopped
T01 >> 1462360587.59686208 Construct density (121.34800s) started
T01 << 1462360587.78113389 Construct density (121.53227s) stopped
T01 >> 1462360587.78337193 Symmetrize density (0.03062s) started
T01 << 1462360587.78340507 Symmetrize density (0.03065s) stopped
T01 << 1462360587.78385401 Pseudo density (1215.39715s) stopped
T01 >> 1462360587.78387308 Atomic density matrices (167.57497s) started
T01 << 1462360588.02858710 Atomic density matrices (167.81968s) stopped
T01 >> 1462360588.02862310 Multipole moments (2.74542s) started
T01 << 1462360588.03292894 Multipole moments (2.74973s) stopped
T01 >> 1462360588.03295112 Normalize (0.75183s) started
T01 << 1462360588.03410196 Normalize (0.75298s) stopped
T01 >> 1462360588.03413606 Mix (81.23294s) started
T01 << 1462360588.15696001 Mix (81.35577s) stopped
T01 << 1462360588.15706301 Density (1468.12257s) stopped
T01 >> 1462360588.15718389 Hamiltonian (16483.77608s) started
T01 >> 1462360588.15720606 vbar (9.98854s) started
T01 << 1462360588.17170310 vbar (10.00304s) stopped
T01 >> 1462360588.17177296 XC 3D grid (7140.40422s) started
T01 >> 1462360588.35363603 van der Waals (6893.02490s) started
T01 >> 1462360588.39431000 semilocal (1546.67629s) started
T01 << 1462360590.62216592 semilocal (1548.90415s) stopped
T01 >> 1462360590.65118289 redistribute (744.29213s) started
T01 << 1462360591.03019190 redistribute (744.67114s) stopped
T01 >> 1462360591.03026009 libvdwxc nonlocal (4549.65172s) started
T01 << 1462360597.72613907 libvdwxc nonlocal (4556.34760s) stopped
T01 >> 1462360597.72620511 redistribute (744.67118s) started
T01 << 1462360598.38839197 redistribute (745.33337s) stopped
T01 << 1462360598.38974595 van der Waals (6903.06101s) stopped
T01 << 1462360598.56187296 XC 3D grid (7150.79432s) stopped
T01 >> 1462360598.56191802 Poisson (1434.59201s) started
T01 << 1462360600.35440493 Poisson (1436.38449s) stopped
T01 >> 1462360600.35447907 Hartree integrate/restrict (56.60849s) started
T01 << 1462360600.37356305 Hartree integrate/restrict (56.62757s) stopped
T01 >> 1462360600.37361503 Hartree integrate/restrict (56.62760s) started
T01 << 1462360600.43608499 Hartree integrate/restrict (56.69007s) stopped
T01 >> 1462360600.45423508 Atomic (4386.88918s) started
T01 >> 1462360600.46470809 XC Correction (4377.82473s) started
T01 << 1462360606.77665091 XC Correction (4384.13668s) stopped
T01 << 1462360606.77971911 Atomic (4393.21467s) stopped
T01 >> 1462360606.77982211 Communicate (3440.55209s) started
T01 << 1462360611.47500205 Communicate (3445.24727s) stopped
T01 << 1462360611.47502398 Hamiltonian (16507.09392s) stopped
T01 >> 1462360611.47508788 LCAO eigensolver (5952.22670s) started
T01 >> 1462360611.47510099 Potential matrix (192.96554s) started
T01 << 1462360611.74415493 Potential matrix (193.23460s) stopped
T01 >> 1462360611.74422097 DistributedAtomicCorrection (991.30619s) started
T01 << 1462360613.10720611 DistributedAtomicCorrection (992.66917s) stopped
T01 >> 1462360613.10727596 Distribute overlap matrix (870.65975s) started
T01 >> 1462360613.10729694 blocked summation (825.98102s) started
T01 << 1462360614.27176499 blocked summation (827.14548s) stopped
T01 >> 1462360614.27343297 Scalapack redistribute (43.47862s) started
T01 << 1462360614.33285499 Scalapack redistribute (43.53804s) stopped
T01 << 1462360614.33294892 Distribute overlap matrix (871.88542s) stopped
T01 >> 1462360614.33354998 Blacs Orbital Layouts (2042.38233s) started
T01 >> 1462360614.33489108 General diagonalize (2001.25858s) started
T01 << 1462360617.04246902 General diagonalize (2003.96616s) stopped
T01 >> 1462360617.04253292 Redistribute coefs (2.26684s) started
T01 << 1462360617.04610491 Redistribute coefs (2.27041s) stopped
T01 >> 1462360617.04615211 Send coefs to domains (37.65861s) started
T01 << 1462360617.09805012 Send coefs to domains (37.71050s) stopped
T01 << 1462360617.09840894 Blacs Orbital Layouts (2045.14719s) stopped
T01 >> 1462360617.09846306 Calculate projections (1854.27353s) started
T01 << 1462360619.55861306 Calculate projections (1856.73368s) stopped
T01 << 1462360619.55889511 LCAO eigensolver (5960.31051s) stopped
T01 << 1462360619.55962300 SCF-cycle (23936.14753s) stopped
T01 >> 1462360620.46350098 Force calculation (1400.75554s) started
T01 >> 1462360620.46356511 LCAO forces (867.20366s) started
T01 >> 1462360620.46392608 Initial (0.00102s) started
T01 << 1462360620.46393800 Initial (0.00104s) stopped
T01 >> 1462360620.46830297 Get density matrix (169.52577s) started
T01 << 1462360621.07293606 Get density matrix (170.13041s) stopped
T01 >> 1462360621.07301402 Potential (62.41197s) started
T01 << 1462360622.50791788 Potential (63.84687s) stopped
T01 >> 1462360622.50797105 Get density matrix (170.13044s) started
T01 << 1462360625.80685997 Get density matrix (173.42933s) stopped
T01 >> 1462360625.80700588 Prepare TCI loop (84.65007s) started
T01 >> 1462360625.80749989 Get neighbors (79.54748s) started
T01 << 1462360627.65198708 Get neighbors (81.39197s) stopped
T01 >> 1462360627.65220690 broadcast dH (5.07100s) started
T01 << 1462360627.66241002 broadcast dH (5.08120s) stopped
T01 << 1462360627.66245389 Prepare TCI loop (86.50552s) stopped
T01 >> 1462360627.66247201 Not so complicated loop (121.72212s) started
T01 << 1462360630.39183307 Not so complicated loop (124.45148s) stopped
T01 >> 1462360630.51914406 Complicated loop (422.66575s) started
T01 << 1462360640.19851208 Complicated loop (432.34511s) stopped
T01 >> 1462360640.21315098 Wait for sum (0.00254s) started
T01 << 1462360640.21319509 Wait for sum (0.00259s) stopped
T01 << 1462360640.21320796 LCAO forces (886.95330s) stopped
T01 << 1462360652.60070610 Force calculation (1432.89275s) stopped
T01 >> 1462360652.61870003 Initialization (2307.81115s) started
T01 << 1462360652.61890602 Initialization (2307.81136s) stopped
T01 >> 1462360652.61918211 Initialization (2307.81138s) started
T01 << 1462360652.61932111 Initialization (2307.81152s) stopped
T01 >> 1462360652.61946201 Initialization (2307.81153s) started
T01 << 1462360652.61960101 Initialization (2307.81167s) stopped
T01 >> 1462360672.97219896 Initialization (2307.81169s) started
T01 >> 1462360673.02242088 Basic WFS set positions (4.47867s) started
T01 >> 1462360673.02244711 Redistribute (0.09094s) started
T01 << 1462360673.02778411 Redistribute (0.09628s) stopped
T01 << 1462360673.12677598 Basic WFS set positions (4.58303s) stopped
T01 >> 1462360673.12680888 Basis functions set positions (19.01238s) started
T01 << 1462360673.53914189 Basis functions set positions (19.42472s) stopped
T01 >> 1462360673.53984690 TCI: Calculate S, T, P (692.07019s) started
T01 << 1462360688.75347900 TCI: Calculate S, T, P (707.28382s) stopped
T01 >> 1462360688.75355291 blocked summation (184.84043s) started
T01 << 1462360692.84302998 blocked summation (188.92990s) stopped
T01 >> 1462360692.84485292 Scalapack redistribute (11.10845s) started
T01 << 1462360692.90409708 Scalapack redistribute (11.16770s) stopped
T01 >> 1462360692.90441203 blocked summation (188.92995s) started
T01 << 1462360693.07459402 blocked summation (189.10013s) stopped
T01 >> 1462360693.07633209 Scalapack redistribute (11.16773s) started
T01 << 1462360693.27761507 Scalapack redistribute (11.36902s) stopped
T01 >> 1462360693.27915502 Redistribute (0.09255s) started
T01 << 1462360693.28012705 Redistribute (0.09352s) stopped
T01 >> 1462360694.20134497 Redistribute (0.09353s) started
T01 << 1462360694.20231700 Redistribute (0.09451s) stopped
T01 >> 1462360694.21272612 LCAO WFS Initialize (1348.29806s) started
T01 >> 1462360694.21275592 Density initialize from wavefunctions (54.91949s) started
T01 >> 1462360694.21320796 Calculate density matrix (31.73798s) started
T01 << 1462360694.91885805 Calculate density matrix (32.44363s) stopped
T01 >> 1462360694.91892409 Construct density (7.91247s) started
T01 << 1462360695.10291100 Construct density (8.09646s) stopped
T01 >> 1462360695.10450292 Symmetrize density (0.00196s) started
T01 << 1462360695.10453510 Symmetrize density (0.00199s) stopped
T01 << 1462360695.44639802 Density initialize from wavefunctions (56.15313s) stopped
T01 >> 1462360695.44693589 Hamiltonian (1293.15692s) started
T01 >> 1462360695.44697189 vbar (0.67867s) started
T01 << 1462360695.46290898 vbar (0.69460s) stopped
T01 >> 1462360695.46303511 XC 3D grid (473.54312s) started
T01 >> 1462360695.64441705 van der Waals (457.13261s) started
T01 >> 1462360695.68480301 semilocal (101.97565s) started
T01 << 1462360697.91347194 semilocal (104.20432s) stopped
T01 >> 1462360697.94353294 redistribute (48.81710s) started
T01 << 1462360698.32278991 redistribute (49.19636s) stopped
T01 >> 1462360698.32285905 libvdwxc nonlocal (302.86059s) started
T01 << 1462360705.02622008 libvdwxc nonlocal (309.56396s) stopped
T01 >> 1462360705.02627993 redistribute (49.19639s) started
T01 << 1462360705.67055893 redistribute (49.84067s) stopped
T01 << 1462360705.67180800 van der Waals (467.16000s) stopped
T01 << 1462360705.85430193 XC 3D grid (483.93438s) stopped
T01 >> 1462360705.85435104 Poisson (216.50938s) started
T01 << 1462360710.54480100 Poisson (221.19983s) stopped
T01 >> 1462360710.54488397 Hartree integrate/restrict (3.71536s) started
T01 << 1462360710.56403399 Hartree integrate/restrict (3.73451s) stopped
T01 >> 1462360710.56408691 Hartree integrate/restrict (3.73455s) started
T01 << 1462360710.63117099 Hartree integrate/restrict (3.80163s) stopped
T01 >> 1462360710.64848900 Atomic (304.56692s) started
T01 >> 1462360710.65880108 XC Correction (303.95232s) started
T01 << 1462360716.91517305 XC Correction (310.20869s) stopped
T01 << 1462360716.91820002 Atomic (310.83663s) stopped
T01 >> 1462360716.91841197 Communicate (293.14155s) started
T01 << 1462360723.52456808 Communicate (299.74771s) stopped
T01 << 1462360723.52459192 Hamiltonian (1321.23457s) stopped
T01 << 1462360723.52464104 LCAO WFS Initialize (1377.60998s) stopped
T01 << 1462360723.53668308 Initialization (2358.37617s) stopped
T01 >> 1462360723.56157398 SCF-cycle (23936.14754s) started
T01 >> 1462360723.56161308 LCAO eigensolver (5960.31053s) started
T01 >> 1462360723.56162596 Potential matrix (193.23463s) started
T01 << 1462360723.83193111 Potential matrix (193.50493s) stopped
T01 >> 1462360723.83199811 DistributedAtomicCorrection (992.66920s) started
T01 << 1462360725.17974401 DistributedAtomicCorrection (994.01694s) stopped
T01 >> 1462360725.17979407 Distribute overlap matrix (871.88543s) started
T01 >> 1462360725.17981601 blocked summation (827.14552s) started
T01 << 1462360726.35458302 blocked summation (828.32029s) stopped
T01 >> 1462360726.35624099 Scalapack redistribute (43.53808s) started
T01 << 1462360726.41405892 Scalapack redistribute (43.59590s) stopped
T01 << 1462360726.41412807 Distribute overlap matrix (873.11977s) stopped
T01 >> 1462360726.41476011 Blacs Orbital Layouts (2045.14721s) started
T01 >> 1462360726.41634393 General diagonalize (2003.96620s) started
T01 << 1462360729.13804197 General diagonalize (2006.68789s) stopped
T01 >> 1462360729.13809204 Redistribute coefs (2.27044s) started
T01 << 1462360729.14091897 Redistribute coefs (2.27327s) stopped
T01 >> 1462360729.14096689 Send coefs to domains (37.71055s) started
T01 << 1462360729.19307399 Send coefs to domains (37.76266s) stopped
T01 << 1462360729.19343305 Blacs Orbital Layouts (2047.92588s) stopped
T01 >> 1462360729.19346595 Calculate projections (1856.73374s) started
T01 << 1462360731.63190508 Calculate projections (1859.17218s) stopped
T01 << 1462360731.63217998 LCAO eigensolver (5968.38109s) stopped
T01 >> 1462360731.63281608 Density (1468.12258s) started
T01 >> 1462360731.63282895 Pseudo density (1215.39717s) started
T01 >> 1462360731.63334489 Calculate density matrix (1092.11137s) started
T01 << 1462360733.24483609 Calculate density matrix (1093.72286s) stopped
T01 >> 1462360733.24490499 Construct density (121.53230s) started
T01 << 1462360733.42817998 Construct density (121.71557s) stopped
T01 >> 1462360733.42958403 Symmetrize density (0.03066s) started
T01 << 1462360733.42961788 Symmetrize density (0.03070s) stopped
T01 << 1462360733.43006301 Pseudo density (1217.19440s) stopped
T01 >> 1462360733.43008304 Atomic density matrices (167.81971s) started
T01 << 1462360733.67743707 Atomic density matrices (168.06706s) stopped
T01 >> 1462360733.67747211 Multipole moments (2.74974s) started
T01 << 1462360733.68171096 Multipole moments (2.75398s) stopped
T01 >> 1462360733.68173289 Normalize (0.75300s) started
T01 << 1462360733.68288207 Normalize (0.75415s) stopped
T01 >> 1462360733.68291903 Mix (81.35587s) started
T01 << 1462360733.79045200 Mix (81.46340s) stopped
T01 << 1462360733.79056406 Density (1470.28033s) stopped
T01 >> 1462360733.79066706 Hamiltonian (16507.09393s) started
T01 >> 1462360733.79068494 vbar (10.00308s) started
T01 << 1462360733.80515099 vbar (10.01755s) stopped
T01 >> 1462360733.80521488 XC 3D grid (7150.79436s) started
T01 >> 1462360733.98347211 van der Waals (6903.06109s) started
T01 >> 1462360734.02631402 semilocal (1548.90422s) started
T01 << 1462360736.24092388 semilocal (1551.11883s) stopped
T01 >> 1462360736.27363610 redistribute (745.33345s) started
T01 << 1462360736.66690207 redistribute (745.72672s) stopped
T01 >> 1462360736.66696811 libvdwxc nonlocal (4556.34764s) started
T01 << 1462360743.36770511 libvdwxc nonlocal (4563.04838s) stopped
T01 >> 1462360743.36776495 redistribute (745.72675s) started
T01 << 1462360744.02527499 redistribute (746.38426s) stopped
T01 << 1462360744.02648211 van der Waals (6913.10410s) stopped
T01 << 1462360744.20631909 XC 3D grid (7161.19546s) stopped
T01 >> 1462360744.20638204 Poisson (1436.38455s) started
T01 << 1462360745.99069309 Poisson (1438.16886s) stopped
T01 >> 1462360745.99080896 Hartree integrate/restrict (56.69010s) started
T01 << 1462360746.00973392 Hartree integrate/restrict (56.70903s) stopped
T01 >> 1462360746.00987005 Hartree integrate/restrict (56.70912s) started
T01 << 1462360746.07290292 Hartree integrate/restrict (56.77216s) stopped
T01 >> 1462360746.09552193 Atomic (4393.21468s) started
T01 >> 1462360746.10544109 XC Correction (4384.13670s) started
T01 << 1462360752.33392191 XC Correction (4390.36518s) stopped
T01 << 1462360752.33687091 Atomic (4399.45603s) stopped
T01 >> 1462360752.33697104 Communicate (3445.24729s) started
T01 << 1462360758.64112210 Communicate (3451.55144s) stopped
T01 << 1462360758.64114594 Hamiltonian (16531.94441s) stopped
T01 >> 1462360758.64120889 LCAO eigensolver (5968.38111s) started
T01 >> 1462360758.64122200 Potential matrix (193.50497s) started
T01 << 1462360758.91448808 Potential matrix (193.77823s) stopped
T01 >> 1462360758.91455507 DistributedAtomicCorrection (994.01697s) started
T01 << 1462360760.25323296 DistributedAtomicCorrection (995.35565s) stopped
T01 >> 1462360760.25328207 Distribute overlap matrix (873.11978s) started
T01 >> 1462360760.25330305 blocked summation (828.32033s) started
T01 << 1462360761.43707108 blocked summation (829.50410s) stopped
T01 >> 1462360761.43872499 Scalapack redistribute (43.59593s) started
T01 << 1462360761.49722505 Scalapack redistribute (43.65443s) stopped
T01 << 1462360761.49730611 Distribute overlap matrix (874.36380s) stopped
T01 >> 1462360761.49793601 Blacs Orbital Layouts (2047.92590s) started
T01 >> 1462360761.49942589 General diagonalize (2006.68793s) started
T01 << 1462360764.21549106 General diagonalize (2009.40400s) stopped
T01 >> 1462360764.21555901 Redistribute coefs (2.27331s) started
T01 << 1462360764.21833801 Redistribute coefs (2.27609s) stopped
T01 >> 1462360764.21842003 Send coefs to domains (37.76270s) started
T01 << 1462360764.27101398 Send coefs to domains (37.81530s) stopped
T01 << 1462360764.27135205 Blacs Orbital Layouts (2050.69931s) stopped
T01 >> 1462360764.27140498 Calculate projections (1859.17224s) started
T01 << 1462360766.70983291 Calculate projections (1861.61067s) stopped
T01 << 1462360766.71011305 LCAO eigensolver (5976.45002s) stopped
T01 >> 1462360766.71076012 Density (1470.28035s) started
T01 >> 1462360766.71077299 Pseudo density (1217.19441s) started
T01 >> 1462360766.71128893 Calculate density matrix (1093.72290s) started
T01 << 1462360768.32065392 Calculate density matrix (1095.33227s) stopped
T01 >> 1462360768.32072091 Construct density (121.71560s) started
T01 << 1462360768.50368595 Construct density (121.89857s) stopped
T01 >> 1462360768.50508094 Symmetrize density (0.03071s) started
T01 << 1462360768.50511599 Symmetrize density (0.03074s) stopped
T01 << 1462360768.50555611 Pseudo density (1218.98920s) stopped
T01 >> 1462360768.50557590 Atomic density matrices (168.06709s) started
T01 << 1462360768.75305700 Atomic density matrices (168.31457s) stopped
T01 >> 1462360768.75309300 Multipole moments (2.75399s) started
T01 << 1462360768.75733089 Multipole moments (2.75823s) stopped
T01 >> 1462360768.75735307 Normalize (0.75418s) started
T01 << 1462360768.75850701 Normalize (0.75533s) stopped
T01 >> 1462360768.75854206 Mix (81.46350s) started
T01 << 1462360768.86829710 Mix (81.57326s) stopped
T01 << 1462360768.86835694 Density (1472.43795s) stopped
T01 >> 1462360768.86844993 Hamiltonian (16531.94442s) started
T01 >> 1462360768.86846900 vbar (10.01758s) started
T01 << 1462360768.88336110 vbar (10.03248s) stopped
T01 >> 1462360768.88342595 XC 3D grid (7161.19551s) started
T01 >> 1462360769.05731893 van der Waals (6913.10414s) started
T01 >> 1462360769.09775805 semilocal (1551.11892s) started
T01 << 1462360771.32193208 semilocal (1553.34309s) stopped
T01 >> 1462360771.35498905 redistribute (746.38431s) started
T01 << 1462360771.74235892 redistribute (746.77168s) stopped
T01 >> 1462360771.74242496 libvdwxc nonlocal (4563.04841s) started
T01 << 1462360778.44164610 libvdwxc nonlocal (4569.74763s) stopped
T01 >> 1462360778.44171309 redistribute (746.77172s) started
T01 << 1462360779.09842706 redistribute (747.42843s) stopped
T01 << 1462360779.09974408 van der Waals (6923.14657s) stopped
T01 << 1462360779.28319311 XC 3D grid (7171.59528s) stopped
T01 >> 1462360779.28324604 Poisson (1438.16895s) started
T01 << 1462360781.05899405 Poisson (1439.94470s) stopped
T01 >> 1462360781.05908394 Hartree integrate/restrict (56.77219s) started
T01 << 1462360781.07813001 Hartree integrate/restrict (56.79124s) stopped
T01 >> 1462360781.07822895 Hartree integrate/restrict (56.79131s) started
T01 << 1462360781.14052105 Hartree integrate/restrict (56.85360s) stopped
T01 >> 1462360781.16304207 Atomic (4399.45605s) started
T01 >> 1462360781.17286611 XC Correction (4390.36521s) started
T01 << 1462360787.20167589 XC Correction (4396.39402s) stopped
T01 << 1462360787.20462298 Atomic (4405.49763s) stopped
T01 >> 1462360787.20473099 Communicate (3451.55146s) started
T01 << 1462360793.28400111 Communicate (3457.63073s) stopped
T01 << 1462360793.28402495 Hamiltonian (16556.36000s) stopped
T01 >> 1462360793.28408909 LCAO eigensolver (5976.45004s) started
T01 >> 1462360793.28410292 Potential matrix (193.77827s) started
T01 << 1462360793.55432391 Potential matrix (194.04849s) stopped
T01 >> 1462360793.55439210 DistributedAtomicCorrection (995.35568s) started
T01 << 1462360794.88836908 DistributedAtomicCorrection (996.68966s) stopped
T01 >> 1462360794.88841701 Distribute overlap matrix (874.36382s) started
T01 >> 1462360794.88843799 blocked summation (829.50414s) started
T01 << 1462360796.08060503 blocked summation (830.69631s) stopped
T01 >> 1462360796.08223796 Scalapack redistribute (43.65447s) started
T01 << 1462360796.14156199 Scalapack redistribute (43.71379s) stopped
T01 << 1462360796.14164090 Distribute overlap matrix (875.61704s) stopped
T01 >> 1462360796.14226890 Blacs Orbital Layouts (2050.69933s) started
T01 >> 1462360796.14379811 General diagonalize (2009.40404s) started
T01 << 1462360798.85879111 General diagonalize (2012.11903s) stopped
T01 >> 1462360798.85885692 Redistribute coefs (2.27612s) started
T01 << 1462360798.86161709 Redistribute coefs (2.27888s) stopped
T01 >> 1462360798.86170197 Send coefs to domains (37.81533s) started
T01 << 1462360798.91386008 Send coefs to domains (37.86749s) stopped
T01 << 1462360798.91420698 Blacs Orbital Layouts (2053.47127s) stopped
T01 >> 1462360798.91425991 Calculate projections (1861.61073s) started
T01 << 1462360801.35276198 Calculate projections (1864.04923s) stopped
T01 << 1462360801.35303092 LCAO eigensolver (5984.51898s) stopped
T01 >> 1462360801.35374498 Density (1472.43796s) started
T01 >> 1462360801.35375810 Pseudo density (1218.98921s) started
T01 >> 1462360801.35427308 Calculate density matrix (1095.33231s) started
T01 << 1462360802.96883392 Calculate density matrix (1096.94687s) stopped
T01 >> 1462360802.96892500 Construct density (121.89859s) started
T01 << 1462360803.15248203 Construct density (122.08215s) stopped
T01 >> 1462360803.15388989 Symmetrize density (0.03075s) started
T01 << 1462360803.15392303 Symmetrize density (0.03079s) stopped
T01 << 1462360803.15436292 Pseudo density (1220.78982s) stopped
T01 >> 1462360803.15438199 Atomic density matrices (168.31459s) started
T01 << 1462360803.40097594 Atomic density matrices (168.56118s) stopped
T01 >> 1462360803.40101099 Multipole moments (2.75825s) started
T01 << 1462360803.40524197 Multipole moments (2.76248s) stopped
T01 >> 1462360803.40526390 Normalize (0.75536s) started
T01 << 1462360803.40640306 Normalize (0.75650s) stopped
T01 >> 1462360803.40643907 Mix (81.57332s) started
T01 << 1462360803.52088404 Mix (81.68776s) stopped
T01 << 1462360803.52099204 Density (1474.60521s) stopped
T01 >> 1462360803.52109003 Hamiltonian (16556.36001s) started
T01 >> 1462360803.52110910 vbar (10.03251s) started
T01 << 1462360803.53596902 vbar (10.04737s) stopped
T01 >> 1462360803.53603697 XC 3D grid (7171.59532s) started
T01 >> 1462360803.71529794 van der Waals (6923.14662s) started
T01 >> 1462360803.75640607 semilocal (1553.34318s) started
T01 << 1462360805.97452092 semilocal (1555.56130s) stopped
T01 >> 1462360806.00492311 redistribute (747.42848s) started
T01 << 1462360806.39811802 redistribute (747.82167s) stopped
T01 >> 1462360806.39818501 libvdwxc nonlocal (4569.74768s) started
T01 << 1462360813.09963202 libvdwxc nonlocal (4576.44912s) stopped
T01 >> 1462360813.09974003 redistribute (747.82171s) started
T01 << 1462360813.75203490 redistribute (748.47400s) stopped
T01 << 1462360813.75336504 van der Waals (6933.18468s) stopped
T01 << 1462360813.93377495 XC 3D grid (7181.99306s) stopped
T01 >> 1462360813.93382096 Poisson (1439.94477s) started
T01 << 1462360816.29348397 Poisson (1442.30443s) stopped
T01 >> 1462360816.29357290 Hartree integrate/restrict (56.85363s) started
T01 << 1462360816.31261492 Hartree integrate/restrict (56.87268s) stopped
T01 >> 1462360816.31268907 Hartree integrate/restrict (56.87273s) started
T01 << 1462360816.37407589 Hartree integrate/restrict (56.93412s) stopped
T01 >> 1462360816.39339590 Atomic (4405.49765s) started
T01 >> 1462360816.40327501 XC Correction (4396.39404s) started
T01 << 1462360822.46020508 XC Correction (4402.45097s) stopped
T01 << 1462360822.46315789 Atomic (4411.56741s) stopped
T01 >> 1462360822.46325803 Communicate (3457.63074s) started
T01 << 1462360827.81579900 Communicate (3462.98328s) stopped
T01 << 1462360827.81582308 Hamiltonian (16580.65474s) stopped
T01 >> 1462360827.81588697 LCAO eigensolver (5984.51900s) started
T01 >> 1462360827.81590104 Potential matrix (194.04852s) started
T01 << 1462360828.08673906 Potential matrix (194.31936s) stopped
T01 >> 1462360828.08680296 DistributedAtomicCorrection (996.68968s) started
T01 << 1462360829.43358898 DistributedAtomicCorrection (998.03647s) stopped
T01 >> 1462360829.43363690 Distribute overlap matrix (875.61705s) started
T01 >> 1462360829.43366289 blocked summation (830.69635s) started
T01 << 1462360830.60051990 blocked summation (831.86321s) stopped
T01 >> 1462360830.60218692 Scalapack redistribute (43.71383s) started
T01 << 1462360830.66074705 Scalapack redistribute (43.77239s) stopped
T01 << 1462360830.66082597 Distribute overlap matrix (876.84424s) stopped
T01 >> 1462360830.66144300 Blacs Orbital Layouts (2053.47129s) started
T01 >> 1462360830.66293812 General diagonalize (2012.11907s) started
T01 << 1462360833.36848593 General diagonalize (2014.82461s) stopped
T01 >> 1462360833.36855292 Redistribute coefs (2.27892s) started
T01 << 1462360833.37130809 Redistribute coefs (2.28168s) stopped
T01 >> 1462360833.37139201 Send coefs to domains (37.86753s) started
T01 << 1462360833.42498112 Send coefs to domains (37.92112s) stopped
T01 << 1462360833.42532992 Blacs Orbital Layouts (2056.23517s) stopped
T01 >> 1462360833.42538309 Calculate projections (1864.04928s) started
T01 << 1462360835.86368394 Calculate projections (1866.48759s) stopped
T01 << 1462360835.86396194 LCAO eigensolver (5992.56707s) stopped
T01 >> 1462360835.86468506 Density (1474.60523s) started
T01 >> 1462360835.86469793 Pseudo density (1220.78983s) started
T01 >> 1462360835.86521006 Calculate density matrix (1096.94692s) started
T01 << 1462360837.48211288 Calculate density matrix (1098.56382s) stopped
T01 >> 1462360837.48219609 Construct density (122.08218s) started
T01 << 1462360837.66545010 Construct density (122.26543s) stopped
T01 >> 1462360837.66684389 Symmetrize density (0.03080s) started
T01 << 1462360837.66687608 Symmetrize density (0.03083s) stopped
T01 << 1462360837.66731405 Pseudo density (1222.59245s) stopped
T01 >> 1462360837.66733408 Atomic density matrices (168.56121s) started
T01 << 1462360837.91358995 Atomic density matrices (168.80746s) stopped
T01 >> 1462360837.91362596 Multipole moments (2.76249s) started
T01 << 1462360837.91782999 Multipole moments (2.76670s) stopped
T01 >> 1462360837.91785192 Normalize (0.75652s) started
T01 << 1462360837.91902208 Normalize (0.75769s) stopped
T01 >> 1462360837.91905594 Mix (81.68787s) started
T01 << 1462360838.03691101 Mix (81.80572s) stopped
T01 << 1462360838.03696704 Density (1476.77751s) stopped
T01 >> 1462360838.03706503 Hamiltonian (16580.65475s) started
T01 >> 1462360838.03708506 vbar (10.04741s) started
T01 << 1462360838.05203199 vbar (10.06236s) stopped
T01 >> 1462360838.05210495 XC 3D grid (7181.99309s) started
T01 >> 1462360838.22963500 van der Waals (6933.18473s) started
T01 >> 1462360838.27128696 semilocal (1555.56141s) started
T01 << 1462360840.47870898 semilocal (1557.76883s) stopped
T01 >> 1462360840.51029396 redistribute (748.47405s) started
T01 << 1462360840.89807892 redistribute (748.86183s) stopped
T01 >> 1462360840.89814591 libvdwxc nonlocal (4576.44921s) started
T01 << 1462360847.57761693 libvdwxc nonlocal (4583.12868s) stopped
T01 >> 1462360847.57769108 redistribute (748.86187s) started
T01 << 1462360848.24501896 redistribute (749.52920s) stopped
T01 << 1462360848.24665999 van der Waals (6943.20176s) stopped
T01 << 1462360848.41731811 XC 3D grid (7192.35830s) stopped
T01 >> 1462360848.41737604 Poisson (1442.30450s) started
T01 << 1462360850.77551508 Poisson (1444.66264s) stopped
T01 >> 1462360850.77563405 Hartree integrate/restrict (56.93416s) started
T01 << 1462360850.79456592 Hartree integrate/restrict (56.95310s) stopped
T01 >> 1462360850.79467201 Hartree integrate/restrict (56.95317s) started
T01 << 1462360850.85684800 Hartree integrate/restrict (57.01535s) stopped
T01 >> 1462360850.87931895 Atomic (4411.56743s) started
T01 >> 1462360850.88921309 XC Correction (4402.45099s) started
T01 << 1462360856.98131108 XC Correction (4408.54309s) stopped
T01 << 1462360856.98426104 Atomic (4417.67237s) stopped
T01 >> 1462360856.98436403 Communicate (3462.98330s) started
T01 << 1462360861.86411595 Communicate (3467.86305s) stopped
T01 << 1462360861.86414003 Hamiltonian (16604.48183s) stopped
T01 >> 1462360861.86420393 LCAO eigensolver (5992.56709s) started
T01 >> 1462360861.86421704 Potential matrix (194.31939s) started
T01 << 1462360862.13431907 Potential matrix (194.58949s) stopped
T01 >> 1462360862.13438606 DistributedAtomicCorrection (998.03650s) started
T01 << 1462360863.47849202 DistributedAtomicCorrection (999.38060s) stopped
T01 >> 1462360863.47853994 Distribute overlap matrix (876.84425s) started
T01 >> 1462360863.47856212 blocked summation (831.86325s) started
T01 << 1462360864.63814807 blocked summation (833.02283s) stopped
T01 >> 1462360864.63972998 Scalapack redistribute (43.77242s) started
T01 << 1462360864.69850206 Scalapack redistribute (43.83120s) stopped
T01 << 1462360864.69858193 Distribute overlap matrix (878.06430s) stopped
T01 >> 1462360864.69920397 Blacs Orbital Layouts (2056.23519s) started
T01 >> 1462360864.70077705 General diagonalize (2014.82465s) started
T01 << 1462360867.39713502 General diagonalize (2017.52101s) stopped
T01 >> 1462360867.39720297 Redistribute coefs (2.28171s) started
T01 << 1462360867.40107799 Redistribute coefs (2.28559s) stopped
T01 >> 1462360867.40112400 Send coefs to domains (37.92117s) started
T01 << 1462360867.45305705 Send coefs to domains (37.97310s) stopped
T01 << 1462360867.45339489 Blacs Orbital Layouts (2058.98938s) stopped
T01 >> 1462360867.45344496 Calculate projections (1866.48764s) started
T01 << 1462360869.89200211 Calculate projections (1868.92620s) stopped
T01 << 1462360869.89227700 LCAO eigensolver (6000.59516s) stopped
T01 >> 1462360869.89300394 Density (1476.77752s) started
T01 >> 1462360869.89301610 Pseudo density (1222.59246s) started
T01 >> 1462360869.89353800 Calculate density matrix (1098.56386s) started
T01 << 1462360871.51503301 Calculate density matrix (1100.18536s) stopped
T01 >> 1462360871.51512289 Construct density (122.26546s) started
T01 << 1462360871.69795108 Construct density (122.44829s) stopped
T01 >> 1462360871.70017004 Symmetrize density (0.03084s) started
T01 << 1462360871.70020199 Symmetrize density (0.03087s) stopped
T01 << 1462360871.70063806 Pseudo density (1224.40008s) stopped
T01 >> 1462360871.70066190 Atomic density matrices (168.80749s) started
T01 << 1462360871.94663191 Atomic density matrices (169.05346s) stopped
T01 >> 1462360871.94667411 Multipole moments (2.76671s) started
T01 << 1462360871.95088291 Multipole moments (2.77092s) stopped
T01 >> 1462360871.95090508 Normalize (0.75772s) started
T01 << 1462360871.95206189 Normalize (0.75887s) stopped
T01 >> 1462360871.95209908 Mix (81.80577s) started
T01 << 1462360872.07295799 Mix (81.92663s) stopped
T01 << 1462360872.07305694 Density (1478.95758s) stopped
T01 >> 1462360872.07315493 Hamiltonian (16604.48184s) started
T01 >> 1462360872.07317495 vbar (10.06240s) started
T01 << 1462360872.08829308 vbar (10.07752s) stopped
T01 >> 1462360872.08835793 XC 3D grid (7192.35835s) started
T01 >> 1462360872.26694703 van der Waals (6943.20182s) started
T01 >> 1462360872.30850911 semilocal (1557.76894s) started
T01 << 1462360874.54212308 semilocal (1560.00256s) stopped
T01 >> 1462360874.57188296 redistribute (749.52931s) started
T01 << 1462360874.94613695 redistribute (749.90356s) stopped
T01 >> 1462360874.94620490 libvdwxc nonlocal (4583.12873s) started
T01 << 1462360881.63358402 libvdwxc nonlocal (4589.81611s) stopped
T01 >> 1462360881.63368106 redistribute (749.90360s) started
T01 << 1462360882.31278896 redistribute (750.58271s) stopped
T01 << 1462360882.31436396 van der Waals (6953.24923s) stopped
T01 << 1462360882.48776603 XC 3D grid (7202.75776s) stopped
T01 >> 1462360882.48781610 Poisson (1444.66273s) started
T01 << 1462360884.84203696 Poisson (1447.01695s) stopped
T01 >> 1462360884.84210896 Hartree integrate/restrict (57.01539s) started
T01 << 1462360884.86129189 Hartree integrate/restrict (57.03457s) stopped
T01 >> 1462360884.86137199 Hartree integrate/restrict (57.03462s) started
T01 << 1462360884.92346096 Hartree integrate/restrict (57.09671s) stopped
T01 >> 1462360884.94127893 Atomic (4417.67238s) started
T01 >> 1462360884.95129800 XC Correction (4408.54312s) started
T01 << 1462360891.11488605 XC Correction (4414.70670s) stopped
T01 << 1462360891.11786509 Atomic (4423.84897s) stopped
T01 >> 1462360891.11796808 Communicate (3467.86307s) started
T01 << 1462360895.94838905 Communicate (3472.69349s) stopped
T01 << 1462360895.94841290 Hamiltonian (16628.35710s) stopped
T01 >> 1462360895.94847703 LCAO eigensolver (6000.59518s) started
T01 >> 1462360895.94848990 Potential matrix (194.58953s) started
T01 << 1462360896.21952009 Potential matrix (194.86056s) stopped
T01 >> 1462360896.21958709 DistributedAtomicCorrection (999.38063s) started
T01 << 1462360897.57305098 DistributedAtomicCorrection (1000.73410s) stopped
T01 >> 1462360897.57309890 Distribute overlap matrix (878.06431s) started
T01 >> 1462360897.57312107 blocked summation (833.02287s) started
T01 << 1462360898.71916389 blocked summation (834.16892s) stopped
T01 >> 1462360898.72077990 Scalapack redistribute (43.83123s) started
T01 << 1462360898.77898312 Scalapack redistribute (43.88944s) stopped
T01 << 1462360898.77906203 Distribute overlap matrix (879.27027s) stopped
T01 >> 1462360898.77967310 Blacs Orbital Layouts (2058.98940s) started
T01 >> 1462360898.78123307 General diagonalize (2017.52105s) started
T01 << 1462360901.50682807 General diagonalize (2020.24664s) stopped
T01 >> 1462360901.50689602 Redistribute coefs (2.28562s) started
T01 << 1462360901.51074004 Redistribute coefs (2.28947s) stopped
T01 >> 1462360901.51078606 Send coefs to domains (37.97314s) started
T01 << 1462360901.56262112 Send coefs to domains (38.02498s) stopped
T01 << 1462360901.56295991 Blacs Orbital Layouts (2061.77269s) stopped
T01 >> 1462360901.56301498 Calculate projections (1868.92626s) started
T01 << 1462360904.00171399 Calculate projections (1871.36496s) stopped
T01 << 1462360904.00198793 LCAO eigensolver (6008.64869s) stopped
T01 >> 1462360904.00272703 Density (1478.95759s) started
T01 >> 1462360904.00274110 Pseudo density (1224.40010s) started
T01 >> 1462360904.00325799 Calculate density matrix (1100.18540s) started
T01 << 1462360905.62073207 Calculate density matrix (1101.80288s) stopped
T01 >> 1462360905.62082005 Construct density (122.44831s) started
T01 << 1462360905.80439305 Construct density (122.63189s) stopped
T01 >> 1462360905.80666804 Symmetrize density (0.03089s) started
T01 << 1462360905.80670094 Symmetrize density (0.03092s) stopped
T01 << 1462360905.80714107 Pseudo density (1226.20450s) stopped
T01 >> 1462360905.80715990 Atomic density matrices (169.05349s) started
T01 << 1462360906.05333304 Atomic density matrices (169.29966s) stopped
T01 >> 1462360906.05336905 Multipole moments (2.77094s) started
T01 << 1462360906.05759311 Multipole moments (2.77516s) stopped
T01 >> 1462360906.05761504 Normalize (0.75890s) started
T01 << 1462360906.05877805 Normalize (0.76006s) stopped
T01 >> 1462360906.05881405 Mix (81.92673s) started
T01 << 1462360906.18055606 Mix (82.04847s) stopped
T01 << 1462360906.18065095 Density (1481.13552s) stopped
T01 >> 1462360906.18075204 Hamiltonian (16628.35711s) started
T01 >> 1462360906.18077302 vbar (10.07755s) started
T01 << 1462360906.19537306 vbar (10.09215s) stopped
T01 >> 1462360906.19544005 XC 3D grid (7202.75779s) started
T01 >> 1462360906.37525296 van der Waals (6953.24934s) started
T01 >> 1462360906.41626501 semilocal (1560.00261s) started
T01 << 1462360908.62931895 semilocal (1562.21567s) stopped
T01 >> 1462360908.66065788 redistribute (750.58279s) started
T01 << 1462360909.04640102 redistribute (750.96853s) stopped
T01 >> 1462360909.04646802 libvdwxc nonlocal (4589.81616s) started
T01 << 1462360915.73363996 libvdwxc nonlocal (4596.50333s) stopped
T01 >> 1462360915.73372197 redistribute (750.96857s) started
T01 << 1462360916.39934707 redistribute (751.63419s) stopped
T01 << 1462360916.40077806 van der Waals (6963.27487s) stopped
T01 << 1462360916.57401705 XC 3D grid (7213.13637s) stopped
T01 >> 1462360916.57406712 Poisson (1447.01701s) started
T01 << 1462360918.93385601 Poisson (1449.37679s) stopped
T01 >> 1462360918.93392706 Hartree integrate/restrict (57.09675s) started
T01 << 1462360918.95276093 Hartree integrate/restrict (57.11558s) stopped
T01 >> 1462360918.95281506 Hartree integrate/restrict (57.11562s) started
T01 << 1462360919.01555490 Hartree integrate/restrict (57.17836s) stopped
T01 >> 1462360919.03701091 Atomic (4423.84899s) started
T01 >> 1462360919.04711294 XC Correction (4414.70673s) started
T01 << 1462360925.17834496 XC Correction (4420.83796s) stopped
T01 << 1462360925.18133211 Atomic (4429.99331s) stopped
T01 >> 1462360925.18143511 Communicate (3472.69350s) started
T01 << 1462360930.04025292 Communicate (3477.55232s) stopped
T01 << 1462360930.04027605 Hamiltonian (16652.21663s) stopped
T01 >> 1462360930.04033899 LCAO eigensolver (6008.64871s) started
T01 >> 1462360930.04035211 Potential matrix (194.86059s) started
T01 << 1462360930.31160498 Potential matrix (195.13185s) stopped
T01 >> 1462360930.31167507 DistributedAtomicCorrection (1000.73412s) started
T01 << 1462360931.66705799 DistributedAtomicCorrection (1002.08951s) stopped
T01 >> 1462360931.66710711 Distribute overlap matrix (879.27028s) started
T01 >> 1462360931.66712809 blocked summation (834.16895s) started
T01 << 1462360932.80743194 blocked summation (835.30926s) stopped
T01 >> 1462360932.80911899 Scalapack redistribute (43.88947s) started
T01 << 1462360932.86752892 Scalapack redistribute (43.94788s) stopped
T01 << 1462360932.86760807 Distribute overlap matrix (880.47078s) stopped
T01 >> 1462360932.86823201 Blacs Orbital Layouts (2061.77270s) started
T01 >> 1462360932.86976290 General diagonalize (2020.24668s) started
T01 << 1462360935.56000304 General diagonalize (2022.93692s) stopped
T01 >> 1462360935.56006908 Redistribute coefs (2.28950s) started
T01 << 1462360935.56379390 Redistribute coefs (2.29323s) stopped
T01 >> 1462360935.56386995 Send coefs to domains (38.02502s) started
T01 << 1462360935.61616206 Send coefs to domains (38.07732s) stopped
T01 << 1462360935.61653996 Blacs Orbital Layouts (2064.52101s) stopped
T01 >> 1462360935.61659098 Calculate projections (1871.36501s) started
T01 << 1462360938.05516601 Calculate projections (1873.80359s) stopped
T01 << 1462360938.05543995 LCAO eigensolver (6016.66381s) stopped
T01 >> 1462360938.05634403 Density (1481.13554s) started
T01 >> 1462360938.05635691 Pseudo density (1226.20451s) started
T01 >> 1462360938.05688810 Calculate density matrix (1101.80292s) started
T01 << 1462360939.67963791 Calculate density matrix (1103.42567s) stopped
T01 >> 1462360939.67972803 Construct density (122.63191s) started
T01 << 1462360939.86288810 Construct density (122.81507s) stopped
T01 >> 1462360939.86526990 Symmetrize density (0.03093s) started
T01 << 1462360939.86530304 Symmetrize density (0.03096s) stopped
T01 << 1462360939.86575389 Pseudo density (1228.01391s) stopped
T01 >> 1462360939.86577392 Atomic density matrices (169.29969s) started
T01 << 1462360940.11308789 Atomic density matrices (169.54700s) stopped
T01 >> 1462360940.11312389 Multipole moments (2.77517s) started
T01 << 1462360940.11735797 Multipole moments (2.77941s) stopped
T01 >> 1462360940.11737990 Normalize (0.76009s) started
T01 << 1462360940.11852694 Normalize (0.76123s) stopped
T01 >> 1462360940.11856389 Mix (82.04856s) started
T01 << 1462360940.23906112 Mix (82.16905s) stopped
T01 << 1462360940.23912692 Density (1483.31832s) stopped
T01 >> 1462360940.23925090 Hamiltonian (16652.21665s) started
T01 >> 1462360940.23927212 vbar (10.09219s) started
T01 << 1462360940.25497007 vbar (10.10789s) stopped
T01 >> 1462360940.25503206 XC 3D grid (7213.13641s) started
T01 >> 1462360940.43734694 van der Waals (6963.27495s) started
T01 >> 1462360940.47777796 semilocal (1562.21577s) started
T01 << 1462360942.70145512 semilocal (1564.43945s) stopped
T01 >> 1462360942.73265004 redistribute (751.63425s) started
T01 << 1462360943.12676001 redistribute (752.02836s) stopped
T01 >> 1462360943.12682796 libvdwxc nonlocal (4596.50339s) started
T01 << 1462360949.80416203 libvdwxc nonlocal (4603.18072s) stopped
T01 >> 1462360949.80422211 redistribute (752.02840s) started
T01 << 1462360950.48130393 redistribute (752.70548s) stopped
T01 << 1462360950.48293710 van der Waals (6973.32054s) stopped
T01 << 1462360950.65745306 XC 3D grid (7223.53883s) stopped
T01 >> 1462360950.65752006 Poisson (1449.37685s) started
T01 << 1462360953.00936604 Poisson (1451.72869s) stopped
T01 >> 1462360953.00948811 Hartree integrate/restrict (57.17840s) started
T01 << 1462360953.02823400 Hartree integrate/restrict (57.19714s) stopped
T01 >> 1462360953.02837300 Hartree integrate/restrict (57.19724s) started
T01 << 1462360953.09054804 Hartree integrate/restrict (57.25941s) stopped
T01 >> 1462360953.11444402 Atomic (4429.99332s) started
T01 >> 1462360953.12463689 XC Correction (4420.83798s) started
T01 << 1462360959.27707911 XC Correction (4426.99042s) stopped
T01 << 1462360959.28006911 Atomic (4436.15895s) stopped
T01 >> 1462360959.28017402 Communicate (3477.55234s) started
T01 << 1462360964.05779600 Communicate (3482.32996s) stopped
T01 << 1462360964.05781889 Hamiltonian (16676.03522s) stopped
T01 >> 1462360964.05788493 LCAO eigensolver (6016.66383s) started
T01 >> 1462360964.05789804 Potential matrix (195.13188s) started
T01 << 1462360964.33274293 Potential matrix (195.40672s) stopped
T01 >> 1462360964.33280802 DistributedAtomicCorrection (1002.08953s) started
T01 << 1462360965.67102790 DistributedAtomicCorrection (1003.42775s) stopped
T01 >> 1462360965.67107606 Distribute overlap matrix (880.47080s) started
T01 >> 1462360965.67109704 blocked summation (835.30930s) started
T01 << 1462360966.84717202 blocked summation (836.48537s) stopped
T01 >> 1462360966.84889889 Scalapack redistribute (43.94792s) started
T01 << 1462360966.90810800 Scalapack redistribute (44.00713s) stopped
T01 << 1462360966.90819502 Distribute overlap matrix (881.70792s) stopped
T01 >> 1462360966.90880394 Blacs Orbital Layouts (2064.52103s) started
T01 >> 1462360966.91047907 General diagonalize (2022.93696s) started
T01 << 1462360969.62389398 General diagonalize (2025.65038s) stopped
T01 >> 1462360969.62396097 Redistribute coefs (2.29329s) started
T01 << 1462360969.62759399 Redistribute coefs (2.29692s) stopped
T01 >> 1462360969.62764096 Send coefs to domains (38.07736s) started
T01 << 1462360969.67899895 Send coefs to domains (38.12872s) stopped
T01 << 1462360969.67930889 Blacs Orbital Layouts (2067.29153s) stopped
T01 >> 1462360969.67936110 Calculate projections (1873.80364s) started
T01 << 1462360972.11805105 Calculate projections (1876.24233s) stopped
T01 << 1462360972.11832809 LCAO eigensolver (6024.72427s) stopped
T01 >> 1462360972.11922407 Density (1483.31834s) started
T01 >> 1462360972.11923695 Pseudo density (1228.01393s) started
T01 >> 1462360972.11975789 Calculate density matrix (1103.42571s) started
T01 << 1462360973.72502995 Calculate density matrix (1105.03098s) stopped
T01 >> 1462360973.72511911 Construct density (122.81510s) started
T01 << 1462360973.90912294 Construct density (122.99911s) stopped
T01 >> 1462360973.91150689 Symmetrize density (0.03097s) started
T01 << 1462360973.91154003 Symmetrize density (0.03101s) stopped
T01 << 1462360973.91198993 Pseudo density (1229.80668s) stopped
T01 >> 1462360973.91200995 Atomic density matrices (169.54702s) started
T01 << 1462360974.15812612 Atomic density matrices (169.79314s) stopped
T01 >> 1462360974.15816307 Multipole moments (2.77942s) started
T01 << 1462360974.16239405 Multipole moments (2.78365s) stopped
T01 >> 1462360974.16241693 Normalize (0.76126s) started
T01 << 1462360974.16357207 Normalize (0.76241s) stopped
T01 >> 1462360974.16360807 Mix (82.16912s) started
T01 << 1462360974.28516603 Mix (82.29068s) stopped
T01 << 1462360974.28522205 Density (1485.48433s) stopped
T01 >> 1462360974.28533912 Hamiltonian (16676.03523s) started
T01 >> 1462360974.28535891 vbar (10.10792s) started
T01 << 1462360974.30018997 vbar (10.12275s) stopped
T01 >> 1462360974.30025792 XC 3D grid (7223.53888s) started
T01 >> 1462360974.47724700 van der Waals (6973.32062s) started
T01 >> 1462360974.51817012 semilocal (1564.43954s) started
T01 << 1462360976.74959493 semilocal (1566.67097s) stopped
T01 >> 1462360976.78052998 redistribute (752.70562s) started
T01 << 1462360977.16883397 redistribute (753.09393s) stopped
T01 >> 1462360977.16890001 libvdwxc nonlocal (4603.18076s) started
T01 << 1462360983.84335494 libvdwxc nonlocal (4609.85521s) stopped
T01 >> 1462360983.84343910 redistribute (753.09396s) started
T01 << 1462360984.51245594 redistribute (753.76298s) stopped
T01 << 1462360984.51418900 van der Waals (6983.35756s) stopped
T01 << 1462360984.69260597 XC 3D grid (7233.93123s) stopped
T01 >> 1462360984.69265699 Poisson (1451.72879s) started
T01 << 1462360986.46687794 Poisson (1453.50301s) stopped
T01 >> 1462360986.46695209 Hartree integrate/restrict (57.25945s) started
T01 << 1462360986.48581004 Hartree integrate/restrict (57.27831s) stopped
T01 >> 1462360986.48588705 Hartree integrate/restrict (57.27836s) started
T01 << 1462360986.54815888 Hartree integrate/restrict (57.34064s) stopped
T01 >> 1462360986.56579304 Atomic (4436.15897s) started
T01 >> 1462360986.57610989 XC Correction (4426.99045s) started
T01 << 1462360992.76365900 XC Correction (4433.17800s) stopped
T01 << 1462360992.76664996 Atomic (4442.35982s) stopped
T01 >> 1462360992.76675105 Communicate (3482.32997s) started
T01 << 1462360997.64402509 Communicate (3487.20725s) stopped
T01 << 1462360997.64404798 Hamiltonian (16699.39394s) stopped
T01 >> 1462360997.64411092 LCAO eigensolver (6024.72429s) started
T01 >> 1462360997.64412403 Potential matrix (195.40676s) started
T01 << 1462360997.91388106 Potential matrix (195.67651s) stopped
T01 >> 1462360997.91394711 DistributedAtomicCorrection (1003.42778s) started
T01 << 1462360999.25321007 DistributedAtomicCorrection (1004.76705s) stopped
T01 >> 1462360999.25325894 Distribute overlap matrix (881.70793s) started
T01 >> 1462360999.25327992 blocked summation (836.48541s) started
T01 << 1462361000.43840194 blocked summation (837.67053s) stopped
T01 >> 1462361000.44009709 Scalapack redistribute (44.00716s) started
T01 << 1462361000.49866700 Scalapack redistribute (44.06573s) stopped
T01 << 1462361000.49875593 Distribute overlap matrix (882.95343s) stopped
T01 >> 1462361000.49933410 Blacs Orbital Layouts (2067.29155s) started
T01 >> 1462361000.50095606 General diagonalize (2025.65041s) started
T01 << 1462361003.19017005 General diagonalize (2028.33963s) stopped
T01 >> 1462361003.19023609 Redistribute coefs (2.29696s) started
T01 << 1462361003.19381595 Redistribute coefs (2.30054s) stopped
T01 >> 1462361003.19386411 Send coefs to domains (38.12876s) started
T01 << 1462361003.24522090 Send coefs to domains (38.18012s) stopped
T01 << 1462361003.24554801 Blacs Orbital Layouts (2070.03777s) stopped
T01 >> 1462361003.24560499 Calculate projections (1876.24239s) started
T01 << 1462361005.68424296 Calculate projections (1878.68103s) stopped
T01 << 1462361005.68452191 LCAO eigensolver (6032.76470s) stopped
T01 >> 1462361005.68524194 Density (1485.48435s) started
T01 >> 1462361005.68525505 Pseudo density (1229.80669s) started
T01 >> 1462361005.68577504 Calculate density matrix (1105.03103s) started
T01 << 1462361007.30593491 Calculate density matrix (1106.65119s) stopped
T01 >> 1462361007.30602598 Construct density (122.99913s) started
T01 << 1462361007.48963904 Construct density (123.18275s) stopped
T01 >> 1462361007.49189591 Symmetrize density (0.03102s) started
T01 << 1462361007.49192810 Symmetrize density (0.03105s) stopped
T01 << 1462361007.49236488 Pseudo density (1231.61380s) stopped
T01 >> 1462361007.49238610 Atomic density matrices (169.79317s) started
T01 << 1462361007.73899794 Atomic density matrices (170.03978s) stopped
T01 >> 1462361007.73903394 Multipole moments (2.78367s) started
T01 << 1462361007.74326897 Multipole moments (2.78790s) stopped
T01 >> 1462361007.74329090 Normalize (0.76244s) started
T01 << 1462361007.74444604 Normalize (0.76359s) stopped
T01 >> 1462361007.74448204 Mix (82.29073s) started
T01 << 1462361007.86647296 Mix (82.41272s) stopped
T01 << 1462361007.86653399 Density (1487.66564s) stopped
T01 >> 1462361007.86666203 Hamiltonian (16699.39395s) started
T01 >> 1462361007.86668110 vbar (10.12279s) started
T01 << 1462361007.88122392 vbar (10.13734s) stopped
T01 >> 1462361007.88128996 XC 3D grid (7233.93127s) started
T01 >> 1462361008.06265998 van der Waals (6983.35768s) started
T01 >> 1462361008.10394001 semilocal (1566.67108s) started
T01 << 1462361010.32774997 semilocal (1568.89489s) stopped
T01 >> 1462361010.35904598 redistribute (753.76308s) started
T01 << 1462361010.74642110 redistribute (754.15046s) stopped
T01 >> 1462361010.74648905 libvdwxc nonlocal (4609.85527s) started
T01 << 1462361017.42895103 libvdwxc nonlocal (4616.53773s) stopped
T01 >> 1462361017.42901802 redistribute (754.15049s) started
T01 << 1462361018.09099007 redistribute (754.81247s) stopped
T01 << 1462361018.09283495 van der Waals (6993.38785s) stopped
T01 << 1462361018.26906204 XC 3D grid (7244.31904s) stopped
T01 >> 1462361018.26911306 Poisson (1453.50307s) started
T01 << 1462361020.03983402 Poisson (1455.27379s) stopped
T01 >> 1462361020.03991890 Hartree integrate/restrict (57.34067s) started
T01 << 1462361020.05896497 Hartree integrate/restrict (57.35971s) stopped
T01 >> 1462361020.05901408 Hartree integrate/restrict (57.35975s) started
T01 << 1462361020.12124395 Hartree integrate/restrict (57.42198s) stopped
T01 >> 1462361020.14243007 Atomic (4442.35984s) started
T01 >> 1462361020.15280104 XC Correction (4433.17802s) started
T01 << 1462361026.41236806 XC Correction (4439.43759s) stopped
T01 << 1462361026.41534710 Atomic (4448.63276s) stopped
T01 >> 1462361026.41545200 Communicate (3487.20726s) started
T01 << 1462361031.29499698 Communicate (3492.08681s) stopped
T01 << 1462361031.29502106 Hamiltonian (16722.82231s) stopped
T01 >> 1462361031.29508400 LCAO eigensolver (6032.76472s) started
T01 >> 1462361031.29509711 Potential matrix (195.67655s) started
T01 << 1462361031.56654811 Potential matrix (195.94800s) stopped
T01 >> 1462361031.56661606 DistributedAtomicCorrection (1004.76707s) started
T01 << 1462361032.92171597 DistributedAtomicCorrection (1006.12217s) stopped
T01 >> 1462361032.92176390 Distribute overlap matrix (882.95344s) started
T01 >> 1462361032.92178512 blocked summation (837.67057s) started
T01 << 1462361034.09549093 blocked summation (838.84428s) stopped
T01 >> 1462361034.09713697 Scalapack redistribute (44.06577s) started
T01 << 1462361034.15617394 Scalapack redistribute (44.12480s) stopped
T01 << 1462361034.15628409 Distribute overlap matrix (884.18796s) stopped
T01 >> 1462361034.15691495 Blacs Orbital Layouts (2070.03778s) started
T01 >> 1462361034.15844488 General diagonalize (2028.33967s) started
T01 << 1462361036.88055301 General diagonalize (2031.06178s) stopped
T01 >> 1462361036.88062096 Redistribute coefs (2.30058s) started
T01 << 1462361036.88420296 Redistribute coefs (2.30416s) stopped
T01 >> 1462361036.88425207 Send coefs to domains (38.18016s) started
T01 << 1462361036.93721008 Send coefs to domains (38.23312s) stopped
T01 << 1462361036.93754411 Blacs Orbital Layouts (2072.81841s) stopped
T01 >> 1462361036.93759799 Calculate projections (1878.68109s) started
T01 << 1462361039.37621689 Calculate projections (1881.11970s) stopped
T01 << 1462361039.37649012 LCAO eigensolver (6040.84612s) stopped
T01 >> 1462361039.37738895 Density (1487.66566s) started
T01 >> 1462361039.37740207 Pseudo density (1231.61382s) started
T01 >> 1462361039.37792110 Calculate density matrix (1106.65123s) started
T01 << 1462361040.98545194 Calculate density matrix (1108.25877s) stopped
T01 >> 1462361040.98553610 Construct density (123.18278s) started
T01 << 1462361041.16874695 Construct density (123.36599s) stopped
T01 >> 1462361041.17112088 Symmetrize density (0.03106s) started
T01 << 1462361041.17115402 Symmetrize density (0.03110s) stopped
T01 << 1462361041.17159104 Pseudo density (1233.40801s) stopped
T01 >> 1462361041.17161107 Atomic density matrices (170.03980s) started
T01 << 1462361041.41851902 Atomic density matrices (170.28671s) stopped
T01 >> 1462361041.41855502 Multipole moments (2.78792s) started
T01 << 1462361041.42281508 Multipole moments (2.79218s) stopped
T01 >> 1462361041.42283702 Normalize (0.76362s) started
T01 << 1462361041.42399812 Normalize (0.76478s) stopped
T01 >> 1462361041.42403412 Mix (82.41278s) started
T01 << 1462361041.54595494 Mix (82.53470s) stopped
T01 << 1462361041.54605603 Density (1489.83433s) stopped
T01 >> 1462361041.54618692 Hamiltonian (16722.82232s) started
T01 >> 1462361041.54620695 vbar (10.13737s) started
T01 << 1462361041.56104302 vbar (10.15221s) stopped
T01 >> 1462361041.56110406 XC 3D grid (7244.31908s) started
T01 >> 1462361041.73839211 van der Waals (6993.38793s) started
T01 >> 1462361041.77884698 semilocal (1568.89500s) started
T01 << 1462361043.99300408 semilocal (1571.10915s) stopped
T01 >> 1462361044.02459097 redistribute (754.81256s) started
T01 << 1462361044.41593599 redistribute (755.20391s) stopped
T01 >> 1462361044.41600394 libvdwxc nonlocal (4616.53777s) started
T01 << 1462361051.07943702 libvdwxc nonlocal (4623.20121s) stopped
T01 >> 1462361051.07952094 redistribute (755.20395s) started
T01 << 1462361051.74791598 redistribute (755.87234s) stopped
T01 << 1462361051.74942708 van der Waals (7003.39897s) stopped
T01 << 1462361051.92377591 XC 3D grid (7254.68175s) stopped
T01 >> 1462361051.92382407 Poisson (1455.27385s) started
T01 << 1462361053.69498897 Poisson (1457.04502s) stopped
T01 >> 1462361053.69510508 Hartree integrate/restrict (57.42201s) started
T01 << 1462361053.71408200 Hartree integrate/restrict (57.44099s) stopped
T01 >> 1462361053.71414495 Hartree integrate/restrict (57.44103s) started
T01 << 1462361053.77596498 Hartree integrate/restrict (57.50285s) stopped
T01 >> 1462361053.80041409 Atomic (4448.63277s) started
T01 >> 1462361053.81076789 XC Correction (4439.43761s) started
T01 << 1462361060.01951504 XC Correction (4445.64636s) stopped
T01 << 1462361060.02251792 Atomic (4454.85488s) stopped
T01 >> 1462361060.02263594 Communicate (3492.08683s) started
T01 << 1462361064.91459990 Communicate (3496.97879s) stopped
T01 << 1462361064.91462302 Hamiltonian (16746.19076s) stopped
T01 >> 1462361064.91468811 LCAO eigensolver (6040.84614s) started
T01 >> 1462361064.91470098 Potential matrix (195.94803s) started
T01 << 1462361065.18604803 Potential matrix (196.21938s) stopped
T01 >> 1462361065.18611503 DistributedAtomicCorrection (1006.12220s) started
T01 << 1462361066.52684307 DistributedAtomicCorrection (1007.46293s) stopped
T01 >> 1462361066.52689195 Distribute overlap matrix (884.18797s) started
T01 >> 1462361066.52691293 blocked summation (838.84431s) started
T01 << 1462361067.70812798 blocked summation (840.02553s) stopped
T01 >> 1462361067.70988011 Scalapack redistribute (44.12485s) started
T01 << 1462361067.76702905 Scalapack redistribute (44.18200s) stopped
T01 << 1462361067.76713395 Distribute overlap matrix (885.42821s) stopped
T01 >> 1462361067.76776195 Blacs Orbital Layouts (2072.81843s) started
T01 >> 1462361067.76932311 General diagonalize (2031.06181s) started
T01 << 1462361070.48046207 General diagonalize (2033.77295s) stopped
T01 >> 1462361070.48053002 Redistribute coefs (2.30420s) started
T01 << 1462361070.48432302 Redistribute coefs (2.30799s) stopped
T01 >> 1462361070.48436904 Send coefs to domains (38.23316s) started
T01 << 1462361070.53627300 Send coefs to domains (38.28506s) stopped
T01 << 1462361070.53658509 Blacs Orbital Layouts (2075.58726s) stopped
T01 >> 1462361070.53663492 Calculate projections (1881.11977s) started
T01 << 1462361072.97495604 Calculate projections (1883.55809s) stopped
T01 << 1462361072.97522998 LCAO eigensolver (6048.90668s) stopped
T01 >> 1462361072.97610998 Density (1489.83434s) started
T01 >> 1462361072.97612405 Pseudo density (1233.40802s) started
T01 >> 1462361072.97663808 Calculate density matrix (1108.25881s) started
T01 << 1462361074.59794402 Calculate density matrix (1109.88011s) stopped
T01 >> 1462361074.59802699 Construct density (123.36602s) started
T01 << 1462361074.78201294 Construct density (123.55000s) stopped
T01 >> 1462361074.78439689 Symmetrize density (0.03111s) started
T01 << 1462361074.78442907 Symmetrize density (0.03114s) stopped
T01 << 1462361074.78488111 Pseudo density (1235.21678s) stopped
T01 >> 1462361074.78490090 Atomic density matrices (170.28674s) started
T01 << 1462361075.03048897 Atomic density matrices (170.53232s) stopped
T01 >> 1462361075.03052497 Multipole moments (2.79219s) started
T01 << 1462361075.03481793 Multipole moments (2.79649s) stopped
T01 >> 1462361075.03484011 Normalize (0.76481s) started
T01 << 1462361075.03599596 Normalize (0.76596s) stopped
T01 >> 1462361075.03603196 Mix (82.53480s) started
T01 << 1462361075.15696001 Mix (82.65573s) stopped
T01 << 1462361075.15701604 Density (1492.01525s) stopped
T01 >> 1462361075.15713000 Hamiltonian (16746.19077s) started
T01 >> 1462361075.15715003 vbar (10.15224s) started
T01 << 1462361075.17221093 vbar (10.16730s) stopped
T01 >> 1462361075.17227411 XC 3D grid (7254.68178s) started
T01 >> 1462361075.34782505 van der Waals (7003.39904s) started
T01 >> 1462361075.38956308 semilocal (1571.10923s) started
T01 << 1462361077.62024593 semilocal (1573.33991s) stopped
T01 >> 1462361077.65184689 redistribute (755.87246s) started
T01 << 1462361078.02788711 redistribute (756.24850s) stopped
T01 >> 1462361078.02795506 libvdwxc nonlocal (4623.20126s) started
T01 << 1462361084.70642304 libvdwxc nonlocal (4629.87973s) stopped
T01 >> 1462361084.70650196 redistribute (756.24854s) started
T01 << 1462361085.37057400 redistribute (756.91261s) stopped
T01 << 1462361085.37215900 van der Waals (7013.42338s) stopped
T01 << 1462361085.55100608 XC 3D grid (7265.06052s) stopped
T01 >> 1462361085.55105209 Poisson (1457.04511s) started
T01 << 1462361087.32789803 Poisson (1458.82195s) stopped
T01 >> 1462361087.32796907 Hartree integrate/restrict (57.50289s) started
T01 << 1462361087.34724903 Hartree integrate/restrict (57.52217s) stopped
T01 >> 1462361087.34729409 Hartree integrate/restrict (57.52220s) started
T01 << 1462361087.40921092 Hartree integrate/restrict (57.58411s) stopped
T01 >> 1462361087.43131208 Atomic (4454.85491s) started
T01 >> 1462361087.44160604 XC Correction (4445.64638s) started
T01 << 1462361093.60206199 XC Correction (4451.80684s) stopped
T01 << 1462361093.60509109 Atomic (4461.02869s) stopped
T01 >> 1462361093.60519409 Communicate (3496.97880s) started
T01 << 1462361098.46516895 Communicate (3501.83878s) stopped
T01 << 1462361098.46519208 Hamiltonian (16769.49883s) stopped
T01 >> 1462361098.46525598 LCAO eigensolver (6048.90670s) started
T01 >> 1462361098.46526909 Potential matrix (196.21941s) started
T01 << 1462361098.73514891 Potential matrix (196.48929s) stopped
T01 >> 1462361098.73521900 DistributedAtomicCorrection (1007.46295s) started
T01 << 1462361100.07253599 DistributedAtomicCorrection (1008.80027s) stopped
T01 >> 1462361100.07258391 Distribute overlap matrix (885.42822s) started
T01 >> 1462361100.07260394 blocked summation (840.02556s) started
T01 << 1462361101.25824594 blocked summation (841.21121s) stopped
T01 >> 1462361101.25988603 Scalapack redistribute (44.18205s) started
T01 << 1462361101.31861496 Scalapack redistribute (44.24078s) stopped
T01 << 1462361101.31870389 Distribute overlap matrix (886.67434s) stopped
T01 >> 1462361101.31931090 Blacs Orbital Layouts (2075.58727s) started
T01 >> 1462361101.32082009 General diagonalize (2033.77299s) started
T01 << 1462361104.02151203 General diagonalize (2036.47368s) stopped
T01 >> 1462361104.02157807 Redistribute coefs (2.30803s) started
T01 << 1462361104.02540898 Redistribute coefs (2.31186s) stopped
T01 >> 1462361104.02545500 Send coefs to domains (38.28510s) started
T01 << 1462361104.07738304 Send coefs to domains (38.33703s) stopped
T01 << 1462361104.07771993 Blacs Orbital Layouts (2078.34568s) stopped
T01 >> 1462361104.07777500 Calculate projections (1883.55814s) started
T01 << 1462361106.51622105 Calculate projections (1885.99659s) stopped
T01 << 1462361106.51649690 LCAO eigensolver (6056.95794s) stopped
T01 >> 1462361106.51722407 Density (1492.01526s) started
T01 >> 1462361106.51723695 Pseudo density (1235.21679s) started
T01 >> 1462361106.51775408 Calculate density matrix (1109.88015s) started
T01 << 1462361108.12378907 Calculate density matrix (1111.48619s) stopped
T01 >> 1462361108.12387609 Construct density (123.55003s) started
T01 << 1462361108.30754995 Construct density (123.73371s) stopped
T01 >> 1462361108.30899811 Symmetrize density (0.03115s) started
T01 << 1462361108.30903006 Symmetrize density (0.03118s) stopped
T01 << 1462361108.30946994 Pseudo density (1237.00903s) stopped
T01 >> 1462361108.30948997 Atomic density matrices (170.53235s) started
T01 << 1462361108.55592108 Atomic density matrices (170.77878s) stopped
T01 >> 1462361108.55595708 Multipole moments (2.79650s) started
T01 << 1462361108.56027007 Multipole moments (2.80081s) stopped
T01 >> 1462361108.56029201 Normalize (0.76599s) started
T01 << 1462361108.56144905 Normalize (0.76715s) stopped
T01 >> 1462361108.56148505 Mix (82.65578s) started
T01 << 1462361108.68429303 Mix (82.77859s) stopped
T01 << 1462361108.68438196 Density (1494.18242s) stopped
T01 >> 1462361108.68450999 Hamiltonian (16769.49884s) started
T01 >> 1462361108.68453002 vbar (10.16734s) started
T01 << 1462361108.69896507 vbar (10.18177s) stopped
T01 >> 1462361108.69903493 XC 3D grid (7265.06055s) started
T01 >> 1462361108.87506199 van der Waals (7013.42345s) started
T01 >> 1462361108.91571403 semilocal (1573.34000s) started
T01 << 1462361111.11517310 semilocal (1575.53946s) stopped
T01 >> 1462361111.14746094 redistribute (756.91267s) started
T01 << 1462361111.55281210 redistribute (757.31802s) stopped
T01 >> 1462361111.55287910 libvdwxc nonlocal (4629.87978s) started
T01 << 1462361118.25014806 libvdwxc nonlocal (4636.57705s) stopped
T01 >> 1462361118.25022793 redistribute (757.31806s) started
T01 << 1462361118.90363312 redistribute (757.97147s) stopped
T01 << 1462361118.90455508 van der Waals (7023.45294s) stopped
T01 << 1462361119.08676696 XC 3D grid (7275.44828s) stopped
T01 >> 1462361119.08681703 Poisson (1458.82201s) started
T01 << 1462361120.85974002 Poisson (1460.59493s) stopped
T01 >> 1462361120.85981894 Hartree integrate/restrict (57.58415s) started
T01 << 1462361120.87844610 Hartree integrate/restrict (57.60277s) stopped
T01 >> 1462361120.87849498 Hartree integrate/restrict (57.60280s) started
T01 << 1462361120.94600296 Hartree integrate/restrict (57.67031s) stopped
T01 >> 1462361120.96366310 Atomic (4461.02871s) started
T01 >> 1462361120.97407699 XC Correction (4451.80686s) started
T01 << 1462361127.16307902 XC Correction (4457.99586s) stopped
T01 << 1462361127.16611195 Atomic (4467.23116s) stopped
T01 >> 1462361127.16621399 Communicate (3501.83879s) started
T01 << 1462361131.98245502 Communicate (3506.65504s) stopped
T01 << 1462361131.98247695 Hamiltonian (16792.79681s) stopped
T01 >> 1462361131.98254299 LCAO eigensolver (6056.95796s) started
T01 >> 1462361131.98255610 Potential matrix (196.48933s) started
T01 << 1462361132.25331807 Potential matrix (196.76009s) stopped
T01 >> 1462361132.25338411 DistributedAtomicCorrection (1008.80030s) started
T01 << 1462361133.60018396 DistributedAtomicCorrection (1010.14710s) stopped
T01 >> 1462361133.60023403 Distribute overlap matrix (886.67436s) started
T01 >> 1462361133.60025597 blocked summation (841.21125s) started
T01 << 1462361134.77238011 blocked summation (842.38337s) stopped
T01 >> 1462361134.77406406 Scalapack redistribute (44.24082s) started
T01 << 1462361134.83270001 Scalapack redistribute (44.29945s) stopped
T01 << 1462361134.83279204 Distribute overlap matrix (887.90691s) stopped
T01 >> 1462361134.83340907 Blacs Orbital Layouts (2078.34570s) started
T01 >> 1462361134.83497810 General diagonalize (2036.47372s) started
T01 << 1462361137.55831003 General diagonalize (2039.19705s) stopped
T01 >> 1462361137.55837607 Redistribute coefs (2.31189s) started
T01 << 1462361137.56216788 Redistribute coefs (2.31569s) stopped
T01 >> 1462361137.56221604 Send coefs to domains (38.33707s) started
T01 << 1462361137.61455297 Send coefs to domains (38.38941s) stopped
T01 << 1462361137.61490607 Blacs Orbital Layouts (2081.12720s) stopped
T01 >> 1462361137.61495495 Calculate projections (1885.99665s) started
T01 << 1462361140.05362892 Calculate projections (1888.43532s) stopped
T01 << 1462361140.05390406 LCAO eigensolver (6065.02932s) stopped
T01 >> 1462361140.05479693 Density (1494.18244s) started
T01 >> 1462361140.05481005 Pseudo density (1237.00904s) started
T01 >> 1462361140.05532789 Calculate density matrix (1111.48623s) started
T01 << 1462361141.66328692 Calculate density matrix (1113.09419s) stopped
T01 >> 1462361141.66336989 Construct density (123.73374s) started
T01 << 1462361141.84740806 Construct density (123.91778s) stopped
T01 >> 1462361141.84897208 Symmetrize density (0.03119s) started
T01 << 1462361141.84900498 Symmetrize density (0.03123s) stopped
T01 << 1462361141.84944105 Pseudo density (1238.80367s) stopped
T01 >> 1462361141.84946108 Atomic density matrices (170.77881s) started
T01 << 1462361142.09523392 Atomic density matrices (171.02458s) stopped
T01 >> 1462361142.09527111 Multipole moments (2.80083s) started
T01 << 1462361142.09955406 Multipole moments (2.80511s) stopped
T01 >> 1462361142.09957600 Normalize (0.76717s) started
T01 << 1462361142.10074210 Normalize (0.76834s) stopped
T01 >> 1462361142.10078001 Mix (82.77867s) started
T01 << 1462361142.22199106 Mix (82.89989s) stopped
T01 << 1462361142.22204590 Density (1496.34969s) stopped
T01 >> 1462361142.22217011 Hamiltonian (16792.79682s) started
T01 >> 1462361142.22218895 vbar (10.18181s) started
T01 << 1462361142.23775196 vbar (10.19738s) stopped
T01 >> 1462361142.23781490 XC 3D grid (7275.44832s) started
T01 >> 1462361142.41574502 van der Waals (7023.45298s) started
T01 >> 1462361142.45633411 semilocal (1575.53960s) started
T01 << 1462361144.70177007 semilocal (1577.78504s) stopped
T01 >> 1462361144.73161101 redistribute (757.97151s) started
T01 << 1462361145.10815501 redistribute (758.34806s) stopped
T01 >> 1462361145.10822201 libvdwxc nonlocal (4636.57711s) started
T01 << 1462361151.80876398 libvdwxc nonlocal (4643.27765s) stopped
T01 >> 1462361151.80882692 redistribute (758.34809s) started
T01 << 1462361152.46626902 redistribute (759.00554s) stopped
T01 << 1462361152.46733689 van der Waals (7033.50457s) stopped
T01 << 1462361152.64710689 XC 3D grid (7285.85761s) stopped
T01 >> 1462361152.64716911 Poisson (1460.59499s) started
T01 << 1462361153.84550190 Poisson (1461.79332s) stopped
T01 >> 1462361153.84563398 Hartree integrate/restrict (57.67035s) started
T01 << 1462361153.86442208 Hartree integrate/restrict (57.68914s) stopped
T01 >> 1462361153.86460209 Hartree integrate/restrict (57.68927s) started
T01 << 1462361153.93229604 Hartree integrate/restrict (57.75696s) stopped
T01 >> 1462361153.94824195 Atomic (4467.23117s) started
T01 >> 1462361153.95869899 XC Correction (4457.99589s) started
T01 << 1462361160.27966404 XC Correction (4464.31685s) stopped
T01 << 1462361160.28269410 Atomic (4473.56562s) stopped
T01 >> 1462361160.28279591 Communicate (3506.65505s) started
T01 << 1462361164.95936108 Communicate (3511.33162s) stopped
T01 << 1462361164.95938396 Hamiltonian (16815.53404s) stopped
T01 >> 1462361164.95944905 LCAO eigensolver (6065.02934s) started
T01 >> 1462361164.95946193 Potential matrix (196.76012s) started
T01 << 1462361165.23374891 Potential matrix (197.03441s) stopped
T01 >> 1462361165.23381710 DistributedAtomicCorrection (1010.14713s) started
T01 << 1462361166.57881904 DistributedAtomicCorrection (1011.49213s) stopped
T01 >> 1462361166.57886600 Distribute overlap matrix (887.90693s) started
T01 >> 1462361166.57888794 blocked summation (842.38341s) started
T01 << 1462361167.76427603 blocked summation (843.56880s) stopped
T01 >> 1462361167.76650810 Scalapack redistribute (44.29949s) started
T01 << 1462361167.82584500 Scalapack redistribute (44.35882s) stopped
T01 << 1462361167.82593608 Distribute overlap matrix (889.15400s) stopped
T01 >> 1462361167.82653904 Blacs Orbital Layouts (2081.12722s) started
T01 >> 1462361167.82815099 General diagonalize (2039.19709s) started
T01 << 1462361170.57750297 General diagonalize (2041.94644s) stopped
T01 >> 1462361170.57757211 Redistribute coefs (2.31572s) started
T01 << 1462361170.58071399 Redistribute coefs (2.31887s) stopped
T01 >> 1462361170.58076406 Send coefs to domains (38.38946s) started
T01 << 1462361170.63292503 Send coefs to domains (38.44162s) stopped
T01 << 1462361170.63326502 Blacs Orbital Layouts (2083.93394s) stopped
T01 >> 1462361170.63331699 Calculate projections (1888.43538s) started
T01 << 1462361173.07181406 Calculate projections (1890.87388s) stopped
T01 << 1462361173.07224798 LCAO eigensolver (6073.14214s) stopped
T01 << 1462361173.07298207 SCF-cycle (24385.65895s) stopped
T01 >> 1462361173.99836206 Force calculation (1432.89278s) started
T01 >> 1462361173.99842191 LCAO forces (886.95331s) started
T01 >> 1462361173.99877906 Initial (0.00105s) started
T01 << 1462361173.99879003 Initial (0.00106s) stopped
T01 >> 1462361174.00318193 Get density matrix (173.42938s) started
T01 << 1462361174.59204793 Get density matrix (174.01824s) stopped
T01 >> 1462361174.59212589 Potential (63.84690s) started
T01 << 1462361176.02450395 Potential (65.27928s) stopped
T01 >> 1462361176.02455711 Get density matrix (174.01828s) started
T01 << 1462361179.32221198 Get density matrix (177.31593s) stopped
T01 >> 1462361179.32234907 Prepare TCI loop (86.50553s) started
T01 >> 1462361179.32284307 Get neighbors (81.39202s) started
T01 << 1462361181.17205310 Get neighbors (83.24123s) stopped
T01 >> 1462361181.17226911 broadcast dH (5.08122s) started
T01 << 1462361181.18248296 broadcast dH (5.09143s) stopped
T01 << 1462361181.18252707 Prepare TCI loop (88.36571s) stopped
T01 >> 1462361181.18254399 Not so complicated loop (124.45152s) started
T01 << 1462361183.91368389 Not so complicated loop (127.18266s) stopped
T01 >> 1462361184.04264688 Complicated loop (432.34516s) started
T01 << 1462361193.72772002 Complicated loop (442.03023s) stopped
T01 >> 1462361193.74252605 Wait for sum (0.00260s) started
T01 << 1462361193.74257207 Wait for sum (0.00265s) stopped
T01 << 1462361193.74258494 LCAO forces (906.69748s) stopped
T01 << 1462361206.10904908 Force calculation (1465.00346s) stopped
T01 >> 1462361206.12682295 Initialization (2358.37619s) started
T01 << 1462361206.12700891 Initialization (2358.37637s) stopped
T01 >> 1462361206.12730694 Initialization (2358.37639s) started
T01 << 1462361206.12744403 Initialization (2358.37653s) stopped
T01 >> 1462361206.12758589 Initialization (2358.37654s) started
T01 << 1462361206.12772989 Initialization (2358.37669s) stopped
T01 >> 1462361226.46991301 Initialization (2358.37671s) started
T01 >> 1462361226.56390405 Basic WFS set positions (4.58305s) started
T01 >> 1462361226.56393099 Redistribute (0.09629s) started
T01 << 1462361226.56408000 Redistribute (0.09644s) stopped
T01 << 1462361226.66258597 Basic WFS set positions (4.68173s) stopped
T01 >> 1462361226.66261792 Basis functions set positions (19.42475s) started
T01 << 1462361227.08227897 Basis functions set positions (19.84441s) stopped
T01 >> 1462361227.08311391 TCI: Calculate S, T, P (707.28386s) started
T01 << 1462361242.22071791 TCI: Calculate S, T, P (722.42147s) stopped
T01 >> 1462361242.22079206 blocked summation (189.10018s) started
T01 << 1462361246.35710001 blocked summation (193.23649s) stopped
T01 >> 1462361246.35919499 Scalapack redistribute (11.36906s) started
T01 << 1462361246.41839504 Scalapack redistribute (11.42826s) stopped
T01 >> 1462361246.41870809 blocked summation (193.23661s) started
T01 << 1462361246.58057690 blocked summation (193.39848s) stopped
T01 >> 1462361246.58260202 Scalapack redistribute (11.42829s) started
T01 << 1462361246.78266811 Scalapack redistribute (11.62836s) stopped
T01 >> 1462361246.78404999 Redistribute (0.09456s) started
T01 << 1462361246.78497601 Redistribute (0.09548s) stopped
T01 >> 1462361247.70894098 Redistribute (0.09550s) started
T01 << 1462361247.70983911 Redistribute (0.09640s) stopped
T01 >> 1462361247.72036004 LCAO WFS Initialize (1377.60999s) started
T01 >> 1462361247.72038889 Density initialize from wavefunctions (56.15323s) started
T01 >> 1462361247.72081089 Calculate density matrix (32.44367s) started
T01 << 1462361248.42577410 Calculate density matrix (33.14864s) stopped
T01 >> 1462361248.42583799 Construct density (8.09649s) started
T01 << 1462361248.60977793 Construct density (8.28043s) stopped
T01 >> 1462361248.61135411 Symmetrize density (0.00200s) started
T01 << 1462361248.61138701 Symmetrize density (0.00203s) stopped
T01 << 1462361248.95462894 Density initialize from wavefunctions (57.38747s) stopped
T01 >> 1462361248.95520592 Hamiltonian (1321.23459s) started
T01 >> 1462361248.95525503 vbar (0.69467s) started
T01 << 1462361248.96991992 vbar (0.70933s) stopped
T01 >> 1462361248.96998906 XC 3D grid (483.93442s) started
T01 >> 1462361249.15289807 van der Waals (467.16004s) started
T01 >> 1462361249.19269204 semilocal (104.20441s) started
T01 << 1462361251.43092489 semilocal (106.44264s) stopped
T01 >> 1462361251.46164989 redistribute (49.84071s) started
T01 << 1462361251.83586788 redistribute (50.21493s) stopped
T01 >> 1462361251.83591795 libvdwxc nonlocal (309.56399s) started
T01 << 1462361258.54065609 libvdwxc nonlocal (316.26873s) stopped
T01 >> 1462361258.54073906 redistribute (50.21497s) started
T01 << 1462361259.18530297 redistribute (50.85953s) stopped
T01 << 1462361259.18651009 van der Waals (477.19365s) stopped
T01 << 1462361259.36587906 XC 3D grid (494.33031s) stopped
T01 >> 1462361259.36592793 Poisson (221.19990s) started
T01 << 1462361263.47661591 Poisson (225.31058s) stopped
T01 >> 1462361263.47669911 Hartree integrate/restrict (3.80168s) started
T01 << 1462361263.49583292 Hartree integrate/restrict (3.82081s) stopped
T01 >> 1462361263.49590802 Hartree integrate/restrict (3.82086s) started
T01 << 1462361263.56309891 Hartree integrate/restrict (3.88806s) stopped
T01 >> 1462361263.58117008 Atomic (310.83665s) started
T01 >> 1462361263.59142995 XC Correction (310.20872s) started
T01 << 1462361269.93587899 XC Correction (316.55316s) stopped
T01 << 1462361269.93891191 Atomic (317.19439s) stopped
T01 >> 1462361269.93912292 Communicate (299.74773s) started
T01 << 1462361276.53741193 Communicate (306.34602s) stopped
T01 << 1462361276.53743505 Hamiltonian (1348.81682s) stopped
T01 << 1462361276.53748488 LCAO WFS Initialize (1406.42712s) stopped
T01 << 1462361276.54955292 Initialization (2408.45635s) stopped
T01 >> 1462361276.57454705 SCF-cycle (24385.65897s) started
T01 >> 1462361276.57458806 LCAO eigensolver (6073.14216s) started
T01 >> 1462361276.57459998 Potential matrix (197.03444s) started
T01 << 1462361276.84707689 Potential matrix (197.30692s) stopped
T01 >> 1462361276.84714794 DistributedAtomicCorrection (1011.49216s) started
T01 << 1462361278.18887711 DistributedAtomicCorrection (1012.83389s) stopped
T01 >> 1462361278.18892908 Distribute overlap matrix (889.15401s) started
T01 >> 1462361278.18895006 blocked summation (843.56884s) started
T01 << 1462361279.34872508 blocked summation (844.72861s) stopped
T01 >> 1462361279.35028195 Scalapack redistribute (44.35886s) started
T01 << 1462361279.40774703 Scalapack redistribute (44.41632s) stopped
T01 << 1462361279.40783191 Distribute overlap matrix (890.37291s) stopped
T01 >> 1462361279.40843701 Blacs Orbital Layouts (2083.93396s) started
T01 >> 1462361279.40989399 General diagonalize (2041.94648s) started
T01 << 1462361282.14524794 General diagonalize (2044.68184s) stopped
T01 >> 1462361282.14529896 Redistribute coefs (2.31890s) started
T01 << 1462361282.14813399 Redistribute coefs (2.32174s) stopped
T01 >> 1462361282.14818001 Send coefs to domains (38.44166s) started
T01 << 1462361282.20072508 Send coefs to domains (38.49420s) stopped
T01 << 1462361282.20112491 Blacs Orbital Layouts (2086.72665s) stopped
T01 >> 1462361282.20115590 Calculate projections (1890.87393s) started
T01 << 1462361284.63971210 Calculate projections (1893.31249s) stopped
T01 << 1462361284.63979411 LCAO eigensolver (6081.20736s) stopped
T01 >> 1462361284.64060807 Density (1496.34970s) started
T01 >> 1462361284.64062095 Pseudo density (1238.80369s) started
T01 >> 1462361284.64113092 Calculate density matrix (1113.09423s) started
T01 << 1462361286.25847101 Calculate density matrix (1114.71157s) stopped
T01 >> 1462361286.25853801 Construct density (123.91781s) started
T01 << 1462361286.44303489 Construct density (124.10230s) stopped
T01 >> 1462361286.44457889 Symmetrize density (0.03124s) started
T01 << 1462361286.44461298 Symmetrize density (0.03127s) stopped
T01 << 1462361286.44506001 Pseudo density (1240.60813s) stopped
T01 >> 1462361286.44508004 Atomic density matrices (171.02460s) started
T01 << 1462361286.69117498 Atomic density matrices (171.27070s) stopped
T01 >> 1462361286.69121194 Multipole moments (2.80513s) started
T01 << 1462361286.69541788 Multipole moments (2.80933s) stopped
T01 >> 1462361286.69543910 Normalize (0.76837s) started
T01 << 1462361286.69660306 Normalize (0.76953s) stopped
T01 >> 1462361286.69664001 Mix (82.89994s) started
T01 << 1462361286.80370998 Mix (83.00701s) stopped
T01 << 1462361286.80382609 Density (1498.51292s) stopped
T01 >> 1462361286.80393195 Hamiltonian (16815.53405s) started
T01 >> 1462361286.80395198 vbar (10.19741s) started
T01 << 1462361286.81870890 vbar (10.21217s) stopped
T01 >> 1462361286.81877208 XC 3D grid (7285.85766s) started
T01 >> 1462361286.99931693 van der Waals (7033.50461s) started
T01 >> 1462361287.04000211 semilocal (1577.78509s) started
T01 << 1462361289.25766492 semilocal (1580.00275s) stopped
T01 >> 1462361289.28997302 redistribute (759.00558s) started
T01 << 1462361289.66674495 redistribute (759.38235s) stopped
T01 >> 1462361289.66681290 libvdwxc nonlocal (4643.27769s) started
T01 << 1462361296.36231208 libvdwxc nonlocal (4649.97319s) stopped
T01 >> 1462361296.36238503 redistribute (759.38239s) started
T01 << 1462361297.01077890 redistribute (760.03078s) stopped
T01 << 1462361297.01223803 van der Waals (7043.51753s) stopped
T01 << 1462361297.19183898 XC 3D grid (7296.23073s) stopped
T01 >> 1462361297.19189405 Poisson (1461.79342s) started
T01 << 1462361298.96898699 Poisson (1463.57051s) stopped
T01 >> 1462361298.96909499 Hartree integrate/restrict (57.75700s) started
T01 << 1462361298.98784590 Hartree integrate/restrict (57.77576s) stopped
T01 >> 1462361298.98798609 Hartree integrate/restrict (57.77585s) started
T01 << 1462361299.05064011 Hartree integrate/restrict (57.83850s) stopped
T01 >> 1462361299.07416797 Atomic (4473.56564s) started
T01 >> 1462361299.08415294 XC Correction (4464.31688s) started
T01 << 1462361305.47867608 XC Correction (4470.71140s) stopped
T01 << 1462361305.48162603 Atomic (4479.97310s) stopped
T01 >> 1462361305.48172998 Communicate (3511.33163s) started
T01 << 1462361311.45132589 Communicate (3517.30123s) stopped
T01 << 1462361311.45134902 Hamiltonian (16840.18147s) stopped
T01 >> 1462361311.45141506 LCAO eigensolver (6081.20738s) started
T01 >> 1462361311.45142794 Potential matrix (197.30696s) started
T01 << 1462361311.72222590 Potential matrix (197.57775s) stopped
T01 >> 1462361311.72229195 DistributedAtomicCorrection (1012.83391s) started
T01 << 1462361313.06541896 DistributedAtomicCorrection (1014.17704s) stopped
T01 >> 1462361313.06546807 Distribute overlap matrix (890.37292s) started
T01 >> 1462361313.06548905 blocked summation (844.72865s) started
T01 << 1462361314.23047590 blocked summation (845.89364s) stopped
T01 >> 1462361314.23201489 Scalapack redistribute (44.41636s) started
T01 << 1462361314.28908706 Scalapack redistribute (44.47343s) stopped
T01 << 1462361314.28916502 Distribute overlap matrix (891.59662s) stopped
T01 >> 1462361314.28978801 Blacs Orbital Layouts (2086.72667s) started
T01 >> 1462361314.29120398 General diagonalize (2044.68188s) started
T01 << 1462361317.03248191 General diagonalize (2047.42316s) stopped
T01 >> 1462361317.03254890 Redistribute coefs (2.32178s) started
T01 << 1462361317.03530407 Redistribute coefs (2.32453s) stopped
T01 >> 1462361317.03538704 Send coefs to domains (38.49425s) started
T01 << 1462361317.08883905 Send coefs to domains (38.54770s) stopped
T01 << 1462361317.08923793 Blacs Orbital Layouts (2089.52612s) stopped
T01 >> 1462361317.08929491 Calculate projections (1893.31255s) started
T01 << 1462361319.52797699 Calculate projections (1895.75123s) stopped
T01 << 1462361319.52805901 LCAO eigensolver (6089.28402s) stopped
T01 >> 1462361319.52873492 Density (1498.51294s) started
T01 >> 1462361319.52874708 Pseudo density (1240.60814s) started
T01 >> 1462361319.52925897 Calculate density matrix (1114.71162s) started
T01 << 1462361321.14613795 Calculate density matrix (1116.32850s) stopped
T01 >> 1462361321.14620209 Construct density (124.10233s) started
T01 << 1462361321.32993698 Construct density (124.28607s) stopped
T01 >> 1462361321.33133411 Symmetrize density (0.03128s) started
T01 << 1462361321.33136606 Symmetrize density (0.03131s) stopped
T01 << 1462361321.33181405 Pseudo density (1242.41121s) stopped
T01 >> 1462361321.33183289 Atomic density matrices (171.27072s) started
T01 << 1462361321.57923603 Atomic density matrices (171.51813s) stopped
T01 >> 1462361321.57927299 Multipole moments (2.80935s) started
T01 << 1462361321.58350396 Multipole moments (2.81358s) stopped
T01 >> 1462361321.58352590 Normalize (0.76956s) started
T01 << 1462361321.58470511 Normalize (0.77074s) stopped
T01 >> 1462361321.58473992 Mix (83.00712s) started
T01 << 1462361321.69643402 Mix (83.11881s) stopped
T01 << 1462361321.69649506 Density (1500.68070s) stopped
T01 >> 1462361321.69659495 Hamiltonian (16840.18148s) started
T01 >> 1462361321.69661307 vbar (10.21220s) started
T01 << 1462361321.71123600 vbar (10.22682s) stopped
T01 >> 1462361321.71130991 XC 3D grid (7296.23077s) started
T01 >> 1462361321.89242291 van der Waals (7043.51757s) started
T01 >> 1462361321.93310499 semilocal (1580.00285s) started
T01 << 1462361324.15792894 semilocal (1582.22767s) stopped
T01 >> 1462361324.19026089 redistribute (760.03083s) started
T01 << 1462361324.56633091 redistribute (760.40690s) stopped
T01 >> 1462361324.56639791 libvdwxc nonlocal (4649.97323s) started
T01 << 1462361331.25325203 libvdwxc nonlocal (4656.66009s) stopped
T01 >> 1462361331.25331903 redistribute (760.40694s) started
T01 << 1462361331.89792991 redistribute (761.05155s) stopped
T01 << 1462361331.89939499 van der Waals (7053.52455s) stopped
T01 << 1462361332.07852006 XC 3D grid (7306.59798s) stopped
T01 >> 1462361332.07856607 Poisson (1463.57060s) started
T01 << 1462361333.85700703 Poisson (1465.34904s) stopped
T01 >> 1462361333.85710001 Hartree integrate/restrict (57.83854s) started
T01 << 1462361333.87614202 Hartree integrate/restrict (57.85758s) stopped
T01 >> 1462361333.87620807 Hartree integrate/restrict (57.85762s) started
T01 << 1462361333.93891001 Hartree integrate/restrict (57.92033s) stopped
T01 >> 1462361333.96135092 Atomic (4479.97312s) started
T01 >> 1462361333.97124600 XC Correction (4470.71143s) started
T01 << 1462361340.11259508 XC Correction (4476.85277s) stopped
T01 << 1462361340.11557698 Atomic (4486.12734s) stopped
T01 >> 1462361340.11568093 Communicate (3517.30124s) started
T01 << 1462361345.75491405 Communicate (3522.94047s) stopped
T01 << 1462361345.75493789 Hamiltonian (16864.23982s) stopped
T01 >> 1462361345.75500298 LCAO eigensolver (6089.28404s) started
T01 >> 1462361345.75501490 Potential matrix (197.57779s) started
T01 << 1462361346.02596307 Potential matrix (197.84874s) stopped
T01 >> 1462361346.02602911 DistributedAtomicCorrection (1014.17707s) started
T01 << 1462361347.36971807 DistributedAtomicCorrection (1015.52076s) stopped
T01 >> 1462361347.36976695 Distribute overlap matrix (891.59663s) started
T01 >> 1462361347.36978889 blocked summation (845.89368s) started
T01 << 1462361348.53840208 blocked summation (847.06229s) stopped
T01 >> 1462361348.53994989 Scalapack redistribute (44.47347s) started
T01 << 1462361348.59531689 Scalapack redistribute (44.52884s) stopped
T01 << 1462361348.59539509 Distribute overlap matrix (892.82226s) stopped
T01 >> 1462361348.59602904 Blacs Orbital Layouts (2089.52613s) started
T01 >> 1462361348.59741497 General diagonalize (2047.42319s) started
T01 << 1462361351.33601403 General diagonalize (2050.16179s) stopped
T01 >> 1462361351.33608103 Redistribute coefs (2.32457s) started
T01 << 1462361351.33894706 Redistribute coefs (2.32743s) stopped
T01 >> 1462361351.33902907 Send coefs to domains (38.54775s) started
T01 << 1462361351.39159298 Send coefs to domains (38.60031s) stopped
T01 << 1462361351.39198089 Blacs Orbital Layouts (2092.32209s) stopped
T01 >> 1462361351.39203811 Calculate projections (1895.75129s) started
T01 << 1462361353.83063602 Calculate projections (1898.18988s) stopped
T01 << 1462361353.83072090 LCAO eigensolver (6097.35975s) stopped
T01 >> 1462361353.83144689 Density (1500.68072s) started
T01 >> 1462361353.83146000 Pseudo density (1242.41122s) started
T01 >> 1462361353.83197808 Calculate density matrix (1116.32854s) started
T01 << 1462361355.44436002 Calculate density matrix (1117.94092s) stopped
T01 >> 1462361355.44444609 Construct density (124.28609s) started
T01 << 1462361355.62832308 Construct density (124.46997s) stopped
T01 >> 1462361355.62971091 Symmetrize density (0.03133s) started
T01 << 1462361355.62974310 Symmetrize density (0.03136s) stopped
T01 << 1462361355.63017988 Pseudo density (1244.20994s) stopped
T01 >> 1462361355.63019896 Atomic density matrices (171.51815s) started
T01 << 1462361355.87751889 Atomic density matrices (171.76547s) stopped
T01 >> 1462361355.87755489 Multipole moments (2.81359s) started
T01 << 1462361355.88179898 Multipole moments (2.81783s) stopped
T01 >> 1462361355.88181996 Normalize (0.77076s) started
T01 << 1462361355.88298512 Normalize (0.77193s) stopped
T01 >> 1462361355.88302207 Mix (83.11887s) started
T01 << 1462361355.99888706 Mix (83.23474s) stopped
T01 << 1462361355.99897599 Density (1502.84825s) stopped
T01 >> 1462361355.99907899 Hamiltonian (16864.23983s) started
T01 >> 1462361355.99909902 vbar (10.22687s) started
T01 << 1462361356.01384211 vbar (10.24161s) stopped
T01 >> 1462361356.01390696 XC 3D grid (7306.59801s) started
T01 >> 1462361356.19450092 van der Waals (7053.52460s) started
T01 >> 1462361356.23495698 semilocal (1582.22772s) started
T01 << 1462361358.46842289 semilocal (1584.46118s) stopped
T01 >> 1462361358.49890208 redistribute (761.05160s) started
T01 << 1462361358.87745404 redistribute (761.43015s) stopped
T01 >> 1462361358.87754703 libvdwxc nonlocal (4656.66013s) started
T01 << 1462361365.58142710 libvdwxc nonlocal (4663.36401s) stopped
T01 >> 1462361365.58151388 redistribute (761.43022s) started
T01 << 1462361366.23784089 redistribute (762.08654s) stopped
T01 << 1462361366.23905396 van der Waals (7063.56915s) stopped
T01 << 1462361366.41798997 XC 3D grid (7317.00210s) stopped
T01 >> 1462361366.41804099 Poisson (1465.34911s) started
T01 << 1462361368.78827596 Poisson (1467.71935s) stopped
T01 >> 1462361368.78836608 Hartree integrate/restrict (57.92036s) started
T01 << 1462361368.80748296 Hartree integrate/restrict (57.93948s) stopped
T01 >> 1462361368.80753303 Hartree integrate/restrict (57.93951s) started
T01 << 1462361368.86868501 Hartree integrate/restrict (58.00066s) stopped
T01 >> 1462361368.89234710 Atomic (4486.12736s) started
T01 >> 1462361368.90227699 XC Correction (4476.85280s) started
T01 << 1462361375.02611995 XC Correction (4482.97664s) stopped
T01 << 1462361375.02908993 Atomic (4492.26410s) stopped
T01 >> 1462361375.02919292 Communicate (3522.94049s) started
T01 << 1462361380.08206606 Communicate (3527.99336s) stopped
T01 << 1462361380.08208895 Hamiltonian (16888.32284s) stopped
T01 >> 1462361380.08215404 LCAO eigensolver (6097.35977s) started
T01 >> 1462361380.08216691 Potential matrix (197.84877s) started
T01 << 1462361380.35280991 Potential matrix (198.11941s) stopped
T01 >> 1462361380.35287809 DistributedAtomicCorrection (1015.52079s) started
T01 << 1462361381.69424391 DistributedAtomicCorrection (1016.86215s) stopped
T01 >> 1462361381.69429302 Distribute overlap matrix (892.82227s) started
T01 >> 1462361381.69431400 blocked summation (847.06233s) started
T01 << 1462361382.85175204 blocked summation (848.21977s) stopped
T01 >> 1462361382.85322809 Scalapack redistribute (44.52887s) started
T01 << 1462361382.91122007 Scalapack redistribute (44.58686s) stopped
T01 << 1462361382.91129804 Distribute overlap matrix (894.03928s) stopped
T01 >> 1462361382.91192102 Blacs Orbital Layouts (2092.32210s) started
T01 >> 1462361382.91338992 General diagonalize (2050.16183s) started
T01 << 1462361385.63825488 General diagonalize (2052.88670s) stopped
T01 >> 1462361385.63832211 Redistribute coefs (2.32747s) started
T01 << 1462361385.64153695 Redistribute coefs (2.33068s) stopped
T01 >> 1462361385.64158511 Send coefs to domains (38.60036s) started
T01 << 1462361385.69395399 Send coefs to domains (38.65273s) stopped
T01 << 1462361385.69429898 Blacs Orbital Layouts (2095.10448s) stopped
T01 >> 1462361385.69434905 Calculate projections (1898.18994s) started
T01 << 1462361388.13290501 Calculate projections (1900.62850s) stopped
T01 << 1462361388.13298988 LCAO eigensolver (6105.41060s) stopped
T01 >> 1462361388.13392401 Density (1502.84826s) started
T01 >> 1462361388.13393688 Pseudo density (1244.20996s) started
T01 >> 1462361388.13445497 Calculate density matrix (1117.94096s) started
T01 << 1462361389.75644803 Calculate density matrix (1119.56296s) stopped
T01 >> 1462361389.75653505 Construct density (124.47000s) started
T01 << 1462361389.94095492 Construct density (124.65442s) stopped
T01 >> 1462361389.94248796 Symmetrize density (0.03137s) started
T01 << 1462361389.94251895 Symmetrize density (0.03140s) stopped
T01 << 1462361389.94297194 Pseudo density (1246.01899s) stopped
T01 >> 1462361389.94299102 Atomic density matrices (171.76550s) started
T01 << 1462361390.18978095 Atomic density matrices (172.01228s) stopped
T01 >> 1462361390.18981695 Multipole moments (2.81785s) started
T01 << 1462361390.19405890 Multipole moments (2.82209s) stopped
T01 >> 1462361390.19408202 Normalize (0.77195s) started
T01 << 1462361390.19525003 Normalize (0.77312s) stopped
T01 >> 1462361390.19528604 Mix (83.23482s) started
T01 << 1462361390.31488991 Mix (83.35443s) stopped
T01 << 1462361390.31499696 Density (1505.02934s) stopped
T01 >> 1462361390.31510806 Hamiltonian (16888.32286s) started
T01 >> 1462361390.31512904 vbar (10.24165s) started
T01 << 1462361390.32962298 vbar (10.25614s) stopped
T01 >> 1462361390.32971597 XC 3D grid (7317.00214s) started
T01 >> 1462361390.50577307 van der Waals (7063.56920s) started
T01 >> 1462361390.54576802 semilocal (1584.46123s) started
T01 << 1462361392.76401401 semilocal (1586.67948s) stopped
T01 >> 1462361392.79578710 redistribute (762.08659s) started
T01 << 1462361393.18213010 redistribute (762.47293s) stopped
T01 >> 1462361393.18219709 libvdwxc nonlocal (4663.36406s) started
T01 << 1462361399.85166192 libvdwxc nonlocal (4670.03353s) stopped
T01 >> 1462361399.85174799 redistribute (762.47297s) started
T01 << 1462361400.51248908 redistribute (763.13371s) stopped
T01 << 1462361400.51420403 van der Waals (7073.57763s) stopped
T01 << 1462361400.68631196 XC 3D grid (7327.35873s) stopped
T01 >> 1462361400.68638110 Poisson (1467.71942s) started
T01 << 1462361403.03731203 Poisson (1470.07035s) stopped
T01 >> 1462361403.03740001 Hartree integrate/restrict (58.00070s) started
T01 << 1462361403.05606604 Hartree integrate/restrict (58.01937s) stopped
T01 >> 1462361403.05621195 Hartree integrate/restrict (58.01947s) started
T01 << 1462361403.12433290 Hartree integrate/restrict (58.08759s) stopped
T01 >> 1462361403.14242291 Atomic (4492.26412s) started
T01 >> 1462361403.15234709 XC Correction (4482.97666s) started
T01 << 1462361409.36009312 XC Correction (4489.18441s) stopped
T01 << 1462361409.36308408 Atomic (4498.48478s) stopped
T01 >> 1462361409.36318302 Communicate (3527.99338s) started
T01 << 1462361414.34082508 Communicate (3532.97102s) stopped
T01 << 1462361414.34084892 Hamiltonian (16912.34860s) stopped
T01 >> 1462361414.34091592 LCAO eigensolver (6105.41062s) started
T01 >> 1462361414.34092903 Potential matrix (198.11945s) started
T01 << 1462361414.61165905 Potential matrix (198.39018s) stopped
T01 >> 1462361414.61172605 DistributedAtomicCorrection (1016.86218s) started
T01 << 1462361415.95423007 DistributedAtomicCorrection (1018.20468s) stopped
T01 >> 1462361415.95427895 Distribute overlap matrix (894.03929s) started
T01 >> 1462361415.95429993 blocked summation (848.21981s) started
T01 << 1462361417.10173011 blocked summation (849.36724s) stopped
T01 >> 1462361417.10339403 Scalapack redistribute (44.58690s) started
T01 << 1462361417.16243792 Scalapack redistribute (44.64594s) stopped
T01 << 1462361417.16251707 Distribute overlap matrix (895.24753s) stopped
T01 >> 1462361417.16311407 Blacs Orbital Layouts (2095.10450s) started
T01 >> 1462361417.16455412 General diagonalize (2052.88673s) started
T01 << 1462361419.90516496 General diagonalize (2055.62735s) stopped
T01 >> 1462361419.90523100 Redistribute coefs (2.33072s) started
T01 << 1462361419.90896797 Redistribute coefs (2.33446s) stopped
T01 >> 1462361419.90901399 Send coefs to domains (38.65277s) started
T01 << 1462361419.96051598 Send coefs to domains (38.70428s) stopped
T01 << 1462361419.96085000 Blacs Orbital Layouts (2097.90224s) stopped
T01 >> 1462361419.96090889 Calculate projections (1900.62856s) started
T01 << 1462361422.39961791 Calculate projections (1903.06727s) stopped
T01 << 1462361422.39989710 LCAO eigensolver (6113.46960s) stopped
T01 >> 1462361422.40063691 Density (1505.02936s) started
T01 >> 1462361422.40065503 Pseudo density (1246.01901s) started
T01 >> 1462361422.40117097 Calculate density matrix (1119.56300s) started
T01 << 1462361424.02252007 Calculate density matrix (1121.18435s) stopped
T01 >> 1462361424.02260399 Construct density (124.65445s) started
T01 << 1462361424.20686412 Construct density (124.83871s) stopped
T01 >> 1462361424.20913005 Symmetrize density (0.03141s) started
T01 << 1462361424.20916295 Symmetrize density (0.03144s) stopped
T01 << 1462361424.20960212 Pseudo density (1247.82795s) stopped
T01 >> 1462361424.20962191 Atomic density matrices (172.01231s) started
T01 << 1462361424.45597696 Atomic density matrices (172.25866s) stopped
T01 >> 1462361424.45601296 Multipole moments (2.82211s) started
T01 << 1462361424.46022606 Multipole moments (2.82632s) stopped
T01 >> 1462361424.46024799 Normalize (0.77315s) started
T01 << 1462361424.46141005 Normalize (0.77431s) stopped
T01 >> 1462361424.46144509 Mix (83.35453s) started
T01 << 1462361424.58347702 Mix (83.47656s) stopped
T01 << 1462361424.58359694 Density (1507.21232s) stopped
T01 >> 1462361424.58369708 Hamiltonian (16912.34861s) started
T01 >> 1462361424.58371902 vbar (10.25620s) started
T01 << 1462361424.59865499 vbar (10.27113s) stopped
T01 >> 1462361424.59872007 XC 3D grid (7327.35879s) started
T01 >> 1462361424.77842689 van der Waals (7073.57773s) started
T01 >> 1462361424.82012892 semilocal (1586.67956s) started
T01 << 1462361427.05095196 semilocal (1588.91039s) stopped
T01 >> 1462361427.08336210 redistribute (763.13382s) started
T01 << 1462361427.45952010 redistribute (763.50998s) stopped
T01 >> 1462361427.45958710 libvdwxc nonlocal (4670.03359s) started
T01 << 1462361434.14323997 libvdwxc nonlocal (4676.71724s) stopped
T01 >> 1462361434.14332509 redistribute (763.51002s) started
T01 << 1462361434.80502892 redistribute (764.17172s) stopped
T01 << 1462361434.80666399 van der Waals (7083.60597s) stopped
T01 << 1462361434.97628903 XC 3D grid (7337.73636s) stopped
T01 >> 1462361434.97633791 Poisson (1470.07042s) started
T01 << 1462361436.74771309 Poisson (1471.84179s) stopped
T01 >> 1462361436.74779892 Hartree integrate/restrict (58.08763s) started
T01 << 1462361436.76666808 Hartree integrate/restrict (58.10650s) stopped
T01 >> 1462361436.76672697 Hartree integrate/restrict (58.10654s) started
T01 << 1462361436.82935596 Hartree integrate/restrict (58.16917s) stopped
T01 >> 1462361436.85215211 Atomic (4498.48480s) started
T01 >> 1462361436.86226010 XC Correction (4489.18443s) started
T01 << 1462361443.10318398 XC Correction (4495.42536s) stopped
T01 << 1462361443.10620594 Atomic (4504.73885s) stopped
T01 >> 1462361443.10630703 Communicate (3532.97104s) started
T01 << 1462361448.09607100 Communicate (3537.96080s) stopped
T01 << 1462361448.09609389 Hamiltonian (16935.86101s) stopped
T01 >> 1462361448.09615898 LCAO eigensolver (6113.46962s) started
T01 >> 1462361448.09617209 Potential matrix (198.39021s) started
T01 << 1462361448.36836791 Potential matrix (198.66241s) stopped
T01 >> 1462361448.36843491 DistributedAtomicCorrection (1018.20471s) started
T01 << 1462361449.72293401 DistributedAtomicCorrection (1019.55921s) stopped
T01 >> 1462361449.72298288 Distribute overlap matrix (895.24754s) started
T01 >> 1462361449.72300291 blocked summation (849.36728s) started
T01 << 1462361450.86460304 blocked summation (850.50888s) stopped
T01 >> 1462361450.86623812 Scalapack redistribute (44.64598s) started
T01 << 1462361450.92383909 Scalapack redistribute (44.70358s) stopped
T01 << 1462361450.92392111 Distribute overlap matrix (896.44848s) stopped
T01 >> 1462361450.92449093 Blacs Orbital Layouts (2097.90225s) started
T01 >> 1462361450.92590904 General diagonalize (2055.62738s) started
T01 << 1462361453.65822101 General diagonalize (2058.35970s) stopped
T01 >> 1462361453.65828705 Redistribute coefs (2.33449s) started
T01 << 1462361453.66207409 Redistribute coefs (2.33828s) stopped
T01 >> 1462361453.66212106 Send coefs to domains (38.70432s) started
T01 << 1462361453.71370792 Send coefs to domains (38.75591s) stopped
T01 << 1462361453.71405792 Blacs Orbital Layouts (2100.69182s) stopped
T01 >> 1462361453.71411490 Calculate projections (1903.06733s) started
T01 << 1462361456.15279293 Calculate projections (1905.50601s) stopped
T01 << 1462361456.15306807 LCAO eigensolver (6121.52652s) stopped
T01 >> 1462361456.15379810 Density (1507.21234s) started
T01 >> 1462361456.15381098 Pseudo density (1247.82797s) started
T01 >> 1462361456.15432811 Calculate density matrix (1121.18439s) started
T01 << 1462361457.78057694 Calculate density matrix (1122.81063s) stopped
T01 >> 1462361457.78067303 Construct density (124.83874s) started
T01 << 1462361457.96456504 Construct density (125.02263s) stopped
T01 >> 1462361457.96682692 Symmetrize density (0.03146s) started
T01 << 1462361457.96685910 Symmetrize density (0.03149s) stopped
T01 << 1462361457.96729898 Pseudo density (1249.64145s) stopped
T01 >> 1462361457.96731901 Atomic density matrices (172.25869s) started
T01 << 1462361458.21494007 Atomic density matrices (172.50631s) stopped
T01 >> 1462361458.21497703 Multipole moments (2.82633s) started
T01 << 1462361458.21920109 Multipole moments (2.83056s) stopped
T01 >> 1462361458.21922302 Normalize (0.77433s) started
T01 << 1462361458.22039199 Normalize (0.77550s) stopped
T01 >> 1462361458.22042799 Mix (83.47668s) started
T01 << 1462361458.34298706 Mix (83.59923s) stopped
T01 << 1462361458.34309912 Density (1509.40164s) stopped
T01 >> 1462361458.34321189 Hamiltonian (16935.86102s) started
T01 >> 1462361458.34323311 vbar (10.27117s) started
T01 << 1462361458.35761094 vbar (10.28555s) stopped
T01 >> 1462361458.35769510 XC 3D grid (7337.73639s) started
T01 >> 1462361458.53599691 van der Waals (7083.60604s) started
T01 >> 1462361458.57733893 semilocal (1588.91047s) started
T01 << 1462361460.79635692 semilocal (1591.12949s) stopped
T01 >> 1462361460.82769108 redistribute (764.17181s) started
T01 << 1462361461.20712209 redistribute (764.55124s) stopped
T01 >> 1462361461.20718908 libvdwxc nonlocal (4676.71730s) started
T01 << 1462361467.90001011 libvdwxc nonlocal (4683.41012s) stopped
T01 >> 1462361467.90009499 redistribute (764.55128s) started
T01 << 1462361468.57159996 redistribute (765.22279s) stopped
T01 << 1462361468.57356691 van der Waals (7093.64361s) stopped
T01 << 1462361468.74593711 XC 3D grid (7348.12464s) stopped
T01 >> 1462361468.74598694 Poisson (1471.84186s) started
T01 << 1462361471.10028005 Poisson (1474.19615s) stopped
T01 >> 1462361471.10035300 Hartree integrate/restrict (58.16921s) started
T01 << 1462361471.11934090 Hartree integrate/restrict (58.18820s) stopped
T01 >> 1462361471.11938500 Hartree integrate/restrict (58.18822s) started
T01 << 1462361471.18157101 Hartree integrate/restrict (58.25041s) stopped
T01 >> 1462361471.20562100 Atomic (4504.73887s) started
T01 >> 1462361471.21575689 XC Correction (4495.42538s) started
T01 << 1462361477.39864993 XC Correction (4501.60827s) stopped
T01 << 1462361477.40163589 Atomic (4510.93488s) stopped
T01 >> 1462361477.40173697 Communicate (3537.96082s) started
T01 << 1462361482.63923502 Communicate (3543.19832s) stopped
T01 << 1462361482.63925695 Hamiltonian (16960.15706s) stopped
T01 >> 1462361482.63931799 LCAO eigensolver (6121.52654s) started
T01 >> 1462361482.63933110 Potential matrix (198.66244s) started
T01 << 1462361482.90893006 Potential matrix (198.93204s) stopped
T01 >> 1462361482.90899801 DistributedAtomicCorrection (1019.55924s) started
T01 << 1462361484.26214910 DistributedAtomicCorrection (1020.91239s) stopped
T01 >> 1462361484.26219893 Distribute overlap matrix (896.44849s) started
T01 >> 1462361484.26221991 blocked summation (850.50892s) started
T01 << 1462361485.41800904 blocked summation (851.66471s) stopped
T01 >> 1462361485.41968703 Scalapack redistribute (44.70362s) started
T01 << 1462361485.47917604 Scalapack redistribute (44.76311s) stopped
T01 << 1462361485.47925997 Distribute overlap matrix (897.66555s) stopped
T01 >> 1462361485.47984195 Blacs Orbital Layouts (2100.69184s) started
T01 >> 1462361485.48124409 General diagonalize (2058.35973s) started
T01 << 1462361488.21077394 General diagonalize (2061.08926s) stopped
T01 >> 1462361488.21084189 Redistribute coefs (2.33832s) started
T01 << 1462361488.21453691 Redistribute coefs (2.34201s) stopped
T01 >> 1462361488.21458411 Send coefs to domains (38.75595s) started
T01 << 1462361488.26623011 Send coefs to domains (38.80760s) stopped
T01 << 1462361488.26656294 Blacs Orbital Layouts (2103.47856s) stopped
T01 >> 1462361488.26661897 Calculate projections (1905.50606s) started
T01 << 1462361490.70526099 Calculate projections (1907.94471s) stopped
T01 << 1462361490.70553303 LCAO eigensolver (6129.59276s) stopped
T01 >> 1462361490.70626092 Density (1509.40166s) started
T01 >> 1462361490.70627403 Pseudo density (1249.64147s) started
T01 >> 1462361490.70678496 Calculate density matrix (1122.81068s) started
T01 << 1462361492.32668495 Calculate density matrix (1124.43058s) stopped
T01 >> 1462361492.32677102 Construct density (125.02266s) started
T01 << 1462361492.51026702 Construct density (125.20616s) stopped
T01 >> 1462361492.51254392 Symmetrize density (0.03150s) started
T01 << 1462361492.51257706 Symmetrize density (0.03153s) stopped
T01 << 1462361492.51302505 Pseudo density (1251.44822s) stopped
T01 >> 1462361492.51304507 Atomic density matrices (172.50633s) started
T01 << 1462361492.76003003 Atomic density matrices (172.75332s) stopped
T01 >> 1462361492.76006699 Multipole moments (2.83057s) started
T01 << 1462361492.76430893 Multipole moments (2.83482s) stopped
T01 >> 1462361492.76433110 Normalize (0.77553s) started
T01 << 1462361492.76550293 Normalize (0.77670s) stopped
T01 >> 1462361492.76553988 Mix (83.59934s) started
T01 << 1462361492.88828897 Mix (83.72209s) stopped
T01 << 1462361492.88839507 Density (1511.58379s) stopped
T01 >> 1462361492.88850188 Hamiltonian (16960.15708s) started
T01 >> 1462361492.88852191 vbar (10.28560s) started
T01 << 1462361492.90382791 vbar (10.30090s) stopped
T01 >> 1462361492.90389490 XC 3D grid (7348.12467s) started
T01 >> 1462361493.08393502 van der Waals (7093.64370s) started
T01 >> 1462361493.12490296 semilocal (1591.12958s) started
T01 << 1462361495.34965396 semilocal (1593.35433s) stopped
T01 >> 1462361495.38094902 redistribute (765.22289s) started
T01 << 1462361495.75440693 redistribute (765.59634s) stopped
T01 >> 1462361495.75447607 libvdwxc nonlocal (4683.41017s) started
T01 << 1462361502.46074510 libvdwxc nonlocal (4690.11644s) stopped
T01 >> 1462361502.46082711 redistribute (765.59638s) started
T01 << 1462361503.12719107 redistribute (766.26275s) stopped
T01 << 1462361503.12907600 van der Waals (7103.68884s) stopped
T01 << 1462361503.30320001 XC 3D grid (7358.52398s) stopped
T01 >> 1462361503.30326509 Poisson (1474.19621s) started
T01 << 1462361505.08132005 Poisson (1475.97426s) stopped
T01 >> 1462361505.08144093 Hartree integrate/restrict (58.25044s) started
T01 << 1462361505.10015893 Hartree integrate/restrict (58.26916s) stopped
T01 >> 1462361505.10024095 Hartree integrate/restrict (58.26921s) started
T01 << 1462361505.16757607 Hartree integrate/restrict (58.33654s) stopped
T01 >> 1462361505.18698597 Atomic (4510.93490s) started
T01 >> 1462361505.19708896 XC Correction (4501.60830s) started
T01 << 1462361511.38514304 XC Correction (4507.79635s) stopped
T01 << 1462361511.38814402 Atomic (4517.13606s) stopped
T01 >> 1462361511.38824511 Communicate (3543.19833s) started
T01 << 1462361516.50315809 Communicate (3548.31324s) stopped
T01 << 1462361516.50318003 Hamiltonian (16983.77176s) stopped
T01 >> 1462361516.50324512 LCAO eigensolver (6129.59278s) started
T01 >> 1462361516.50325799 Potential matrix (198.93207s) started
T01 << 1462361516.77423310 Potential matrix (199.20305s) stopped
T01 >> 1462361516.77429891 DistributedAtomicCorrection (1020.91242s) started
T01 << 1462361518.12650704 DistributedAtomicCorrection (1022.26463s) stopped
T01 >> 1462361518.12655592 Distribute overlap matrix (897.66556s) started
T01 >> 1462361518.12657809 blocked summation (851.66475s) started
T01 << 1462361519.27266693 blocked summation (852.81083s) stopped
T01 >> 1462361519.27433300 Scalapack redistribute (44.76314s) started
T01 << 1462361519.33367491 Scalapack redistribute (44.82248s) stopped
T01 << 1462361519.33375692 Distribute overlap matrix (898.87276s) stopped
T01 >> 1462361519.33434510 Blacs Orbital Layouts (2103.47858s) started
T01 >> 1462361519.33596897 General diagonalize (2061.08930s) started
T01 << 1462361522.05543804 General diagonalize (2063.80877s) stopped
T01 >> 1462361522.05550408 Redistribute coefs (2.34205s) started
T01 << 1462361522.05912805 Redistribute coefs (2.34567s) stopped
T01 >> 1462361522.05917597 Send coefs to domains (38.80764s) started
T01 << 1462361522.11105204 Send coefs to domains (38.85951s) stopped
T01 << 1462361522.11139989 Blacs Orbital Layouts (2106.25563s) stopped
T01 >> 1462361522.11145902 Calculate projections (1907.94476s) started
T01 << 1462361524.55024600 Calculate projections (1910.38355s) stopped
T01 << 1462361524.55052209 LCAO eigensolver (6137.64005s) stopped
T01 >> 1462361524.55124307 Density (1511.58381s) started
T01 >> 1462361524.55125690 Pseudo density (1251.44823s) started
T01 >> 1462361524.55176806 Calculate density matrix (1124.43062s) started
T01 << 1462361526.17577910 Calculate density matrix (1126.05463s) stopped
T01 >> 1462361526.17586708 Construct density (125.20622s) started
T01 << 1462361526.35987902 Construct density (125.39023s) stopped
T01 >> 1462361526.36162090 Symmetrize density (0.03154s) started
T01 << 1462361526.36165595 Symmetrize density (0.03158s) stopped
T01 << 1462361526.36209393 Pseudo density (1253.25907s) stopped
T01 >> 1462361526.36211395 Atomic density matrices (172.75334s) started
T01 << 1462361526.60894394 Atomic density matrices (173.00017s) stopped
T01 >> 1462361526.60897899 Multipole moments (2.83483s) started
T01 << 1462361526.61326098 Multipole moments (2.83911s) stopped
T01 >> 1462361526.61328197 Normalize (0.77673s) started
T01 << 1462361526.61444497 Normalize (0.77789s) stopped
T01 >> 1462361526.61448193 Mix (83.72219s) started
T01 << 1462361526.73840904 Mix (83.84612s) stopped
T01 << 1462361526.73850489 Density (1513.77107s) stopped
T01 >> 1462361526.73862505 Hamiltonian (16983.77177s) started
T01 >> 1462361526.73865008 vbar (10.30094s) started
T01 << 1462361526.75315690 vbar (10.31545s) stopped
T01 >> 1462361526.75323701 XC 3D grid (7358.52403s) started
T01 >> 1462361526.93367600 van der Waals (7103.68891s) started
T01 >> 1462361526.97452903 semilocal (1593.35441s) started
T01 << 1462361529.20123100 semilocal (1595.58111s) stopped
T01 >> 1462361529.23128200 redistribute (766.26285s) started
T01 << 1462361529.60331106 redistribute (766.63488s) stopped
T01 >> 1462361529.60337901 libvdwxc nonlocal (4690.11650s) started
T01 << 1462361536.28992510 libvdwxc nonlocal (4696.80304s) stopped
T01 >> 1462361536.29001808 redistribute (766.63492s) started
T01 << 1462361536.95670295 redistribute (767.30160s) stopped
T01 << 1462361536.95837903 van der Waals (7113.71362s) stopped
T01 << 1462361537.13384390 XC 3D grid (7368.90464s) stopped
T01 >> 1462361537.13389897 Poisson (1475.97436s) started
T01 << 1462361538.91179800 Poisson (1477.75226s) stopped
T01 >> 1462361538.91187000 Hartree integrate/restrict (58.33658s) started
T01 << 1462361538.93068099 Hartree integrate/restrict (58.35539s) stopped
T01 >> 1462361538.93074393 Hartree integrate/restrict (58.35543s) started
T01 << 1462361538.99340391 Hartree integrate/restrict (58.41809s) stopped
T01 >> 1462361539.00978589 Atomic (4517.13608s) started
T01 >> 1462361539.01993895 XC Correction (4507.79638s) started
T01 << 1462361545.21268296 XC Correction (4513.98912s) stopped
T01 << 1462361545.21566796 Atomic (4523.34196s) stopped
T01 >> 1462361545.21577191 Communicate (3548.31326s) started
T01 << 1462361550.33395290 Communicate (3553.43144s) stopped
T01 << 1462361550.33397603 Hamiltonian (17007.36712s) stopped
T01 >> 1462361550.33403993 LCAO eigensolver (6137.64007s) started
T01 >> 1462361550.33405209 Potential matrix (199.20308s) started
T01 << 1462361550.60507798 Potential matrix (199.47411s) stopped
T01 >> 1462361550.60514307 DistributedAtomicCorrection (1022.26466s) started
T01 << 1462361551.95848608 DistributedAtomicCorrection (1023.61800s) stopped
T01 >> 1462361551.95853496 Distribute overlap matrix (898.87278s) started
T01 >> 1462361551.95855594 blocked summation (852.81087s) started
T01 << 1462361553.09644794 blocked summation (853.94877s) stopped
T01 >> 1462361553.09814310 Scalapack redistribute (44.82252s) started
T01 << 1462361553.15694094 Scalapack redistribute (44.88132s) stopped
T01 << 1462361553.15702200 Distribute overlap matrix (900.07126s) stopped
T01 >> 1462361553.15761995 Blacs Orbital Layouts (2106.25565s) started
T01 >> 1462361553.15905309 General diagonalize (2063.80881s) started
T01 << 1462361555.89166498 General diagonalize (2066.54142s) stopped
T01 >> 1462361555.89173102 Redistribute coefs (2.34571s) started
T01 << 1462361555.89536405 Redistribute coefs (2.34934s) stopped
T01 >> 1462361555.89541006 Send coefs to domains (38.85955s) started
T01 << 1462361555.94688392 Send coefs to domains (38.91103s) stopped
T01 << 1462361555.94723701 Blacs Orbital Layouts (2109.04527s) stopped
T01 >> 1462361555.94730592 Calculate projections (1910.38360s) started
T01 << 1462361558.38601303 Calculate projections (1912.82231s) stopped
T01 << 1462361558.38628888 LCAO eigensolver (6145.69232s) stopped
T01 >> 1462361558.38702703 Density (1513.77109s) started
T01 >> 1462361558.38703990 Pseudo density (1253.25908s) started
T01 >> 1462361558.38756704 Calculate density matrix (1126.05467s) started
T01 << 1462361560.00835109 Calculate density matrix (1127.67545s) stopped
T01 >> 1462361560.00843906 Construct density (125.39026s) started
T01 << 1462361560.19246602 Construct density (125.57428s) stopped
T01 >> 1462361560.19473600 Symmetrize density (0.03159s) started
T01 << 1462361560.19477010 Symmetrize density (0.03163s) stopped
T01 << 1462361560.19521093 Pseudo density (1255.06726s) stopped
T01 >> 1462361560.19523096 Atomic density matrices (173.00020s) started
T01 << 1462361560.44215298 Atomic density matrices (173.24712s) stopped
T01 >> 1462361560.44218993 Multipole moments (2.83913s) started
T01 << 1462361560.44647908 Multipole moments (2.84342s) stopped
T01 >> 1462361560.44650102 Normalize (0.77792s) started
T01 << 1462361560.44768000 Normalize (0.77910s) stopped
T01 >> 1462361560.44771695 Mix (83.84621s) started
T01 << 1462361560.57124996 Mix (83.96974s) stopped
T01 << 1462361560.57134390 Density (1515.95541s) stopped
T01 >> 1462361560.57144809 Hamiltonian (17007.36713s) started
T01 >> 1462361560.57146692 vbar (10.31549s) started
T01 << 1462361560.58634400 vbar (10.33037s) stopped
T01 >> 1462361560.58640790 XC 3D grid (7368.90468s) started
T01 >> 1462361560.76721692 van der Waals (7113.71372s) started
T01 >> 1462361560.80732989 semilocal (1595.58119s) started
T01 << 1462361563.03437996 semilocal (1597.80824s) stopped
T01 >> 1462361563.06476903 redistribute (767.30171s) started
T01 << 1462361563.45312905 redistribute (767.69007s) stopped
T01 >> 1462361563.45319605 libvdwxc nonlocal (4696.80310s) started
T01 << 1462361570.13499403 libvdwxc nonlocal (4703.48490s) stopped
T01 >> 1462361570.13507700 redistribute (767.69011s) started
T01 << 1462361570.80682206 redistribute (768.36186s) stopped
T01 << 1462361570.80872011 van der Waals (7123.75522s) stopped
T01 << 1462361570.97838593 XC 3D grid (7379.29665s) stopped
T01 >> 1462361570.97843599 Poisson (1477.75231s) started
T01 << 1462361572.75419307 Poisson (1479.52807s) stopped
T01 >> 1462361572.75426102 Hartree integrate/restrict (58.41813s) started
T01 << 1462361572.77322102 Hartree integrate/restrict (58.43709s) stopped
T01 >> 1462361572.77327704 Hartree integrate/restrict (58.43712s) started
T01 << 1462361572.83615899 Hartree integrate/restrict (58.50000s) stopped
T01 >> 1462361572.85830998 Atomic (4523.34198s) started
T01 >> 1462361572.86849594 XC Correction (4513.98914s) started
T01 << 1462361579.05856800 XC Correction (4520.17922s) stopped
T01 << 1462361579.06157494 Atomic (4529.54524s) stopped
T01 >> 1462361579.06167793 Communicate (3553.43146s) started
T01 << 1462361584.10374093 Communicate (3558.47352s) stopped
T01 << 1462361584.10376501 Hamiltonian (17030.89945s) stopped
T01 >> 1462361584.10382795 LCAO eigensolver (6145.69234s) started
T01 >> 1462361584.10384011 Potential matrix (199.47414s) started
T01 << 1462361584.37389207 Potential matrix (199.74419s) stopped
T01 >> 1462361584.37396002 DistributedAtomicCorrection (1023.61803s) started
T01 << 1462361585.72855210 DistributedAtomicCorrection (1024.97262s) stopped
T01 >> 1462361585.72860193 Distribute overlap matrix (900.07127s) started
T01 >> 1462361585.72862291 blocked summation (853.94880s) started
T01 << 1462361586.87662601 blocked summation (855.09681s) stopped
T01 >> 1462361586.87828803 Scalapack redistribute (44.88136s) started
T01 << 1462361586.93746591 Scalapack redistribute (44.94053s) stopped
T01 << 1462361586.93754506 Distribute overlap matrix (901.28022s) stopped
T01 >> 1462361586.93813205 Blacs Orbital Layouts (2109.04530s) started
T01 >> 1462361586.93947101 General diagonalize (2066.54146s) started
T01 << 1462361589.67478108 General diagonalize (2069.27677s) stopped
T01 >> 1462361589.67484689 Redistribute coefs (2.34938s) started
T01 << 1462361589.67854691 Redistribute coefs (2.35308s) stopped
T01 >> 1462361589.67859292 Send coefs to domains (38.91107s) started
T01 << 1462361589.73091006 Send coefs to domains (38.96339s) stopped
T01 << 1462361589.73127890 Blacs Orbital Layouts (2111.83845s) stopped
T01 >> 1462361589.73133302 Calculate projections (1912.82237s) started
T01 << 1462361592.16994691 Calculate projections (1915.26098s) stopped
T01 << 1462361592.17022610 LCAO eigensolver (6153.75874s) stopped
T01 >> 1462361592.17095089 Density (1515.95542s) started
T01 >> 1462361592.17096400 Pseudo density (1255.06727s) started
T01 >> 1462361592.17147803 Calculate density matrix (1127.67550s) started
T01 << 1462361593.79716706 Calculate density matrix (1129.30118s) stopped
T01 >> 1462361593.79725289 Construct density (125.57431s) started
T01 << 1462361593.98078704 Construct density (125.75785s) stopped
T01 >> 1462361593.98305392 Symmetrize density (0.03164s) started
T01 << 1462361593.98308611 Symmetrize density (0.03167s) stopped
T01 << 1462361593.98352408 Pseudo density (1256.87983s) stopped
T01 >> 1462361593.98354411 Atomic density matrices (173.24714s) started
T01 << 1462361594.23067808 Atomic density matrices (173.49428s) stopped
T01 >> 1462361594.23071408 Multipole moments (2.84343s) started
T01 << 1462361594.23502398 Multipole moments (2.84774s) stopped
T01 >> 1462361594.23504591 Normalize (0.77912s) started
T01 << 1462361594.23622608 Normalize (0.78030s) stopped
T01 >> 1462361594.23626304 Mix (83.96983s) started
T01 << 1462361594.36000395 Mix (84.09357s) stopped
T01 << 1462361594.36011410 Density (1518.14459s) stopped
T01 >> 1462361594.36022902 Hamiltonian (17030.89946s) started
T01 >> 1462361594.36024904 vbar (10.33040s) started
T01 << 1462361594.37464809 vbar (10.34480s) stopped
T01 >> 1462361594.37472510 XC 3D grid (7379.29669s) started
T01 >> 1462361594.55259800 van der Waals (7123.75528s) started
T01 >> 1462361594.59386611 semilocal (1597.80830s) started
T01 << 1462361596.82340908 semilocal (1600.03785s) stopped
T01 >> 1462361596.85439491 redistribute (768.36197s) started
T01 << 1462361597.23066592 redistribute (768.73824s) stopped
T01 >> 1462361597.23073411 libvdwxc nonlocal (4703.48496s) started
T01 << 1462361603.92724395 libvdwxc nonlocal (4710.18147s) stopped
T01 >> 1462361603.92732596 redistribute (768.73828s) started
T01 << 1462361604.58830500 redistribute (769.39926s) stopped
T01 << 1462361604.58982396 van der Waals (7133.79251s) stopped
T01 << 1462361604.76165700 XC 3D grid (7389.68362s) stopped
T01 >> 1462361604.76171994 Poisson (1479.52811s) started
T01 << 1462361605.95539403 Poisson (1480.72179s) stopped
T01 >> 1462361605.95550489 Hartree integrate/restrict (58.50004s) started
T01 << 1462361605.97449398 Hartree integrate/restrict (58.51903s) stopped
T01 >> 1462361605.97459888 Hartree integrate/restrict (58.51910s) started
T01 << 1462361606.04174590 Hartree integrate/restrict (58.58625s) stopped
T01 >> 1462361606.05837393 Atomic (4529.54526s) started
T01 >> 1462361606.06853604 XC Correction (4520.17924s) started
T01 << 1462361612.26041508 XC Correction (4526.37112s) stopped
T01 << 1462361612.26342702 Atomic (4535.75031s) stopped
T01 >> 1462361612.26352692 Communicate (3558.47353s) started
T01 << 1462361617.33219790 Communicate (3563.54221s) stopped
T01 << 1462361617.33222103 Hamiltonian (17053.87146s) stopped
T01 >> 1462361617.33228588 LCAO eigensolver (6153.75876s) started
T01 >> 1462361617.33229899 Potential matrix (199.74422s) started
T01 << 1462361617.60228992 Potential matrix (200.01421s) stopped
T01 >> 1462361617.60235596 DistributedAtomicCorrection (1024.97265s) started
T01 << 1462361618.94363189 DistributedAtomicCorrection (1026.31392s) stopped
T01 >> 1462361618.94368505 Distribute overlap matrix (901.28023s) started
T01 >> 1462361618.94370699 blocked summation (855.09685s) started
T01 << 1462361620.11756611 blocked summation (856.27071s) stopped
T01 >> 1462361620.11921501 Scalapack redistribute (44.94057s) started
T01 << 1462361620.17722106 Scalapack redistribute (44.99857s) stopped
T01 << 1462361620.17733192 Distribute overlap matrix (902.51388s) stopped
T01 >> 1462361620.17792106 Blacs Orbital Layouts (2111.83847s) started
T01 >> 1462361620.17934799 General diagonalize (2069.27681s) started
T01 << 1462361622.91240501 General diagonalize (2072.00986s) stopped
T01 >> 1462361622.91247201 Redistribute coefs (2.35311s) started
T01 << 1462361622.91624999 Redistribute coefs (2.35689s) stopped
T01 >> 1462361622.91629696 Send coefs to domains (38.96344s) started
T01 << 1462361622.96826410 Send coefs to domains (39.01540s) stopped
T01 << 1462361622.96861410 Blacs Orbital Layouts (2114.62916s) stopped
T01 >> 1462361622.96867394 Calculate projections (1915.26104s) started
T01 << 1462361625.40726304 Calculate projections (1917.69963s) stopped
T01 << 1462361625.40754104 LCAO eigensolver (6161.83401s) stopped
T01 << 1462361625.40827394 SCF-cycle (24734.49269s) stopped
T01 >> 1462361626.33472991 Force calculation (1465.00349s) started
T01 >> 1462361626.33479095 LCAO forces (906.69752s) started
T01 >> 1462361626.33514404 Initial (0.00107s) started
T01 << 1462361626.33515501 Initial (0.00108s) stopped
T01 >> 1462361626.33948708 Get density matrix (177.31597s) started
T01 << 1462361626.94690108 Get density matrix (177.92339s) stopped
T01 >> 1462361626.94694901 Potential (65.27931s) started
T01 << 1462361628.38921690 Potential (66.72158s) stopped
T01 >> 1462361628.38925791 Get density matrix (177.92342s) started
T01 << 1462361631.68716788 Get density matrix (181.22133s) stopped
T01 >> 1462361631.68723607 Prepare TCI loop (88.36572s) started
T01 >> 1462361631.68777895 Get neighbors (83.24127s) started
T01 << 1462361633.54058790 Get neighbors (85.09408s) stopped
T01 >> 1462361633.54081202 broadcast dH (5.09145s) started
T01 << 1462361633.55123591 broadcast dH (5.10188s) stopped
T01 << 1462361633.55128098 Prepare TCI loop (90.22977s) stopped
T01 >> 1462361633.55129910 Not so complicated loop (127.18271s) started
T01 << 1462361636.27748609 Not so complicated loop (129.90890s) stopped
T01 >> 1462361636.40619612 Complicated loop (442.03028s) started
T01 << 1462361646.08699703 Complicated loop (451.71108s) stopped
T01 >> 1462361646.10189199 Wait for sum (0.00266s) started
T01 << 1462361646.10193610 Wait for sum (0.00270s) stopped
T01 << 1462361646.10194898 LCAO forces (926.46468s) stopped
T01 << 1462361658.55534506 Force calculation (1497.22410s) stopped
T01 >> 1462361658.57329893 Initialization (2408.45636s) started
T01 << 1462361658.57349896 Initialization (2408.45656s) stopped
T01 >> 1462361658.57375598 Initialization (2408.45658s) started
T01 << 1462361658.57389307 Initialization (2408.45672s) stopped
T01 >> 1462361658.57403588 Initialization (2408.45673s) started
T01 << 1462361658.57417488 Initialization (2408.45687s) stopped
T01 >> 1462361678.94352198 Initialization (2408.45689s) started
T01 >> 1462361678.97089791 Basic WFS set positions (4.68175s) started
T01 >> 1462361678.97092509 Redistribute (0.09646s) started
T01 << 1462361678.97107100 Redistribute (0.09660s) stopped
T01 << 1462361679.06626105 Basic WFS set positions (4.77712s) stopped
T01 >> 1462361679.06629300 Basis functions set positions (19.84444s) started
T01 << 1462361679.47933006 Basis functions set positions (20.25748s) stopped
T01 >> 1462361679.48072791 TCI: Calculate S, T, P (722.42151s) started
T01 << 1462361694.78738809 TCI: Calculate S, T, P (737.72817s) stopped
T01 >> 1462361694.78746104 blocked summation (193.39856s) started
T01 << 1462361698.80578399 blocked summation (197.41688s) stopped
T01 >> 1462361698.80736089 Scalapack redistribute (11.62840s) started
T01 << 1462361698.86736107 Scalapack redistribute (11.68840s) stopped
T01 >> 1462361698.86770391 blocked summation (197.41692s) started
T01 << 1462361699.03275299 blocked summation (197.58197s) stopped
T01 >> 1462361699.03447700 Scalapack redistribute (11.68843s) started
T01 << 1462361699.23592210 Scalapack redistribute (11.88988s) stopped
T01 >> 1462361699.23725009 Redistribute (0.09644s) started
T01 << 1462361699.23819590 Redistribute (0.09739s) stopped
T01 >> 1462361700.16251302 Redistribute (0.09740s) started
T01 << 1462361700.16348600 Redistribute (0.09838s) stopped
T01 >> 1462361700.17420101 LCAO WFS Initialize (1406.42713s) started
T01 >> 1462361700.17423105 Density initialize from wavefunctions (57.38753s) started
T01 >> 1462361700.17470694 Calculate density matrix (33.14868s) started
T01 << 1462361700.87146401 Calculate density matrix (33.84544s) stopped
T01 >> 1462361700.87152696 Construct density (8.28046s) started
T01 << 1462361701.05558491 Construct density (8.46451s) stopped
T01 >> 1462361701.05717397 Symmetrize density (0.00204s) started
T01 << 1462361701.05720592 Symmetrize density (0.00208s) stopped
T01 << 1462361701.41243601 Density initialize from wavefunctions (58.62573s) stopped
T01 >> 1462361701.41301799 Hamiltonian (1348.81683s) started
T01 >> 1462361701.41305590 vbar (0.70937s) started
T01 << 1462361701.42763090 vbar (0.72395s) stopped
T01 >> 1462361701.42770910 XC 3D grid (494.33035s) started
T01 >> 1462361701.60081792 van der Waals (477.19374s) started
T01 >> 1462361701.64147401 semilocal (106.44269s) started
T01 << 1462361703.85690093 semilocal (108.65812s) stopped
T01 >> 1462361703.88858104 redistribute (50.85959s) started
T01 << 1462361704.28459001 redistribute (51.25560s) stopped
T01 >> 1462361704.28464007 libvdwxc nonlocal (316.26880s) started
T01 << 1462361710.98369598 libvdwxc nonlocal (322.96785s) stopped
T01 >> 1462361710.98374510 redistribute (51.25563s) started
T01 << 1462361711.63734603 redistribute (51.90924s) stopped
T01 << 1462361711.63857889 van der Waals (487.23150s) stopped
T01 << 1462361711.81838393 XC 3D grid (504.72102s) stopped
T01 >> 1462361711.81842899 Poisson (225.31065s) started
T01 << 1462361716.54469109 Poisson (230.03691s) stopped
T01 >> 1462361716.54475999 Hartree integrate/restrict (3.88810s) started
T01 << 1462361716.56397796 Hartree integrate/restrict (3.90732s) stopped
T01 >> 1462361716.56402993 Hartree integrate/restrict (3.90735s) started
T01 << 1462361716.62955308 Hartree integrate/restrict (3.97288s) stopped
T01 >> 1462361716.64905500 Atomic (317.19441s) started
T01 >> 1462361716.65927291 XC Correction (316.55319s) started
T01 << 1462361723.00472212 XC Correction (322.89864s) stopped
T01 << 1462361723.00776505 Atomic (323.55312s) stopped
T01 >> 1462361723.00797701 Communicate (306.34603s) started
T01 << 1462361729.47171998 Communicate (312.80977s) stopped
T01 << 1462361729.47174406 Hamiltonian (1376.87556s) stopped
T01 << 1462361729.47179604 LCAO WFS Initialize (1435.72473s) stopped
T01 << 1462361729.48387694 Initialization (2458.99725s) stopped
T01 >> 1462361729.50883198 SCF-cycle (24734.49271s) started
T01 >> 1462361729.50887203 LCAO eigensolver (6161.83403s) started
T01 >> 1462361729.50888491 Potential matrix (200.01425s) started
T01 << 1462361729.78286600 Potential matrix (200.28823s) stopped
T01 >> 1462361729.78293610 DistributedAtomicCorrection (1026.31396s) started
T01 << 1462361731.13724089 DistributedAtomicCorrection (1027.66826s) stopped
T01 >> 1462361731.13729000 Distribute overlap matrix (902.51389s) started
T01 >> 1462361731.13731003 blocked summation (856.27075s) started
T01 << 1462361732.28690100 blocked summation (857.42034s) stopped
T01 >> 1462361732.28915596 Scalapack redistribute (44.99864s) started
T01 << 1462361732.34632111 Scalapack redistribute (45.05580s) stopped
T01 << 1462361732.34640288 Distribute overlap matrix (903.72300s) stopped
T01 >> 1462361732.34700894 Blacs Orbital Layouts (2114.62918s) started
T01 >> 1462361732.34871411 General diagonalize (2072.00990s) started
T01 << 1462361735.06538701 General diagonalize (2074.72657s) stopped
T01 >> 1462361735.06543708 Redistribute coefs (2.35693s) started
T01 << 1462361735.06819105 Redistribute coefs (2.35968s) stopped
T01 >> 1462361735.06823611 Send coefs to domains (39.01545s) started
T01 << 1462361735.12077689 Send coefs to domains (39.06799s) stopped
T01 << 1462361735.12113500 Blacs Orbital Layouts (2117.40330s) stopped
T01 >> 1462361735.12116694 Calculate projections (1917.69969s) started
T01 << 1462361737.55949593 Calculate projections (1920.13802s) stopped
T01 << 1462361737.55997300 LCAO eigensolver (6169.88513s) stopped
T01 >> 1462361737.56060100 Density (1518.14461s) started
T01 >> 1462361737.56061411 Pseudo density (1256.87984s) started
T01 >> 1462361737.56114197 Calculate density matrix (1129.30123s) started
T01 << 1462361739.16706491 Calculate density matrix (1130.90715s) stopped
T01 >> 1462361739.16713309 Construct density (125.75787s) started
T01 << 1462361739.35215402 Construct density (125.94290s) stopped
T01 >> 1462361739.35356593 Symmetrize density (0.03168s) started
T01 << 1462361739.35359907 Symmetrize density (0.03172s) stopped
T01 << 1462361739.35405207 Pseudo density (1258.67328s) stopped
T01 >> 1462361739.35407305 Atomic density matrices (173.49430s) started
T01 << 1462361739.60217905 Atomic density matrices (173.74241s) stopped
T01 >> 1462361739.60221601 Multipole moments (2.84776s) started
T01 << 1462361739.60636997 Multipole moments (2.85191s) stopped
T01 >> 1462361739.60639095 Normalize (0.78033s) started
T01 << 1462361739.60751390 Normalize (0.78145s) stopped
T01 >> 1462361739.60754895 Mix (84.09368s) started
T01 << 1462361739.71504998 Mix (84.20118s) stopped
T01 << 1462361739.71515989 Density (1520.29916s) stopped
T01 >> 1462361739.71527410 Hamiltonian (17053.87147s) started
T01 >> 1462361739.71529198 vbar (10.34485s) started
T01 << 1462361739.72990203 vbar (10.35946s) stopped
T01 >> 1462361739.72996593 XC 3D grid (7389.68367s) started
T01 >> 1462361739.89699507 van der Waals (7133.79260s) started
T01 >> 1462361739.93955994 semilocal (1600.03791s) started
T01 << 1462361742.16280699 semilocal (1602.26116s) stopped
T01 >> 1462361742.19491005 redistribute (769.39935s) started
T01 << 1462361742.59273601 redistribute (769.79718s) stopped
T01 >> 1462361742.59280300 libvdwxc nonlocal (4710.18152s) started
T01 << 1462361749.28596997 libvdwxc nonlocal (4716.87469s) stopped
T01 >> 1462361749.28602099 redistribute (769.79722s) started
T01 << 1462361749.93888307 redistribute (770.45008s) stopped
T01 << 1462361749.94030690 van der Waals (7143.83591s) stopped
T01 << 1462361750.11908698 XC 3D grid (7400.07279s) stopped
T01 >> 1462361750.11913610 Poisson (1480.72187s) started
T01 << 1462361752.50668597 Poisson (1483.10942s) stopped
T01 >> 1462361752.50680709 Hartree integrate/restrict (58.58629s) started
T01 << 1462361752.52565408 Hartree integrate/restrict (58.60513s) stopped
T01 >> 1462361752.52577591 Hartree integrate/restrict (58.60521s) started
T01 << 1462361752.58759809 Hartree integrate/restrict (58.66704s) stopped
T01 >> 1462361752.61098909 Atomic (4535.75033s) started
T01 >> 1462361752.62090111 XC Correction (4526.37114s) started
T01 << 1462361759.01858902 XC Correction (4532.76883s) stopped
T01 << 1462361759.02153611 Atomic (4542.16087s) stopped
T01 >> 1462361759.02163696 Communicate (3563.54222s) started
T01 << 1462361765.09966803 Communicate (3569.62025s) stopped
T01 << 1462361765.09969211 Hamiltonian (17079.25589s) stopped
T01 >> 1462361765.09975505 LCAO eigensolver (6169.88515s) started
T01 >> 1462361765.09976697 Potential matrix (200.28827s) started
T01 << 1462361765.37297392 Potential matrix (200.56147s) stopped
T01 >> 1462361765.37304592 DistributedAtomicCorrection (1027.66829s) started
T01 << 1462361766.72358489 DistributedAtomicCorrection (1029.01883s) stopped
T01 >> 1462361766.72363400 Distribute overlap matrix (903.72301s) started
T01 >> 1462361766.72365904 blocked summation (857.42037s) started
T01 << 1462361767.86514592 blocked summation (858.56186s) stopped
T01 >> 1462361767.86681700 Scalapack redistribute (45.05584s) started
T01 << 1462361767.92397189 Scalapack redistribute (45.11299s) stopped
T01 << 1462361767.92405701 Distribute overlap matrix (904.92344s) stopped
T01 >> 1462361767.92463398 Blacs Orbital Layouts (2117.40332s) started
T01 >> 1462361767.92626595 General diagonalize (2074.72661s) started
T01 << 1462361770.63941693 General diagonalize (2077.43976s) stopped
T01 >> 1462361770.63948298 Redistribute coefs (2.35972s) started
T01 << 1462361770.64226508 Redistribute coefs (2.36250s) stopped
T01 >> 1462361770.64235091 Send coefs to domains (39.06803s) started
T01 << 1462361770.69454002 Send coefs to domains (39.12022s) stopped
T01 << 1462361770.69488502 Blacs Orbital Layouts (2120.17357s) stopped
T01 >> 1462361770.69493890 Calculate projections (1920.13811s) started
T01 << 1462361773.13314390 Calculate projections (1922.57632s) stopped
T01 << 1462361773.13341999 LCAO eigensolver (6177.91882s) stopped
T01 >> 1462361773.13407111 Density (1520.29918s) started
T01 >> 1462361773.13408399 Pseudo density (1258.67330s) started
T01 >> 1462361773.13460207 Calculate density matrix (1130.90719s) started
T01 << 1462361774.75083089 Calculate density matrix (1132.52342s) stopped
T01 >> 1462361774.75089407 Construct density (125.94292s) started
T01 << 1462361774.93597388 Construct density (126.12800s) stopped
T01 >> 1462361774.93739104 Symmetrize density (0.03173s) started
T01 << 1462361774.93742490 Symmetrize density (0.03176s) stopped
T01 << 1462361774.93788195 Pseudo density (1260.47710s) stopped
T01 >> 1462361774.93790197 Atomic density matrices (173.74243s) started
T01 << 1462361775.18614411 Atomic density matrices (173.99067s) stopped
T01 >> 1462361775.18618011 Multipole moments (2.85192s) started
T01 << 1462361775.19042301 Multipole moments (2.85617s) stopped
T01 >> 1462361775.19044495 Normalize (0.78148s) started
T01 << 1462361775.19157290 Normalize (0.78261s) stopped
T01 >> 1462361775.19160795 Mix (84.20128s) started
T01 << 1462361775.30242109 Mix (84.31210s) stopped
T01 << 1462361775.30254698 Density (1522.46766s) stopped
T01 >> 1462361775.30267906 Hamiltonian (17079.25590s) started
T01 >> 1462361775.30270100 vbar (10.35949s) started
T01 << 1462361775.31742191 vbar (10.37421s) stopped
T01 >> 1462361775.31749201 XC 3D grid (7400.07283s) started
T01 >> 1462361775.49411297 van der Waals (7143.83596s) started
T01 >> 1462361775.53679490 semilocal (1602.26128s) started
T01 << 1462361777.74478102 semilocal (1604.46927s) stopped
T01 >> 1462361777.77501297 redistribute (770.45012s) started
T01 << 1462361778.17803693 redistribute (770.85314s) stopped
T01 >> 1462361778.17810512 libvdwxc nonlocal (4716.87473s) started
T01 << 1462361784.84798193 libvdwxc nonlocal (4723.54460s) stopped
T01 >> 1462361784.84805393 redistribute (770.85318s) started
T01 << 1462361785.50045490 redistribute (771.50558s) stopped
T01 << 1462361785.50197291 van der Waals (7153.84382s) stopped
T01 << 1462361785.68343210 XC 3D grid (7410.43877s) stopped
T01 >> 1462361785.68348193 Poisson (1483.10952s) started
T01 << 1462361787.47816300 Poisson (1484.90420s) stopped
T01 >> 1462361787.47824192 Hartree integrate/restrict (58.66707s) started
T01 << 1462361787.49738407 Hartree integrate/restrict (58.68621s) stopped
T01 >> 1462361787.49744391 Hartree integrate/restrict (58.68625s) started
T01 << 1462361787.55954790 Hartree integrate/restrict (58.74836s) stopped
T01 >> 1462361787.57744098 Atomic (4542.16089s) started
T01 >> 1462361787.58730602 XC Correction (4532.76886s) started
T01 << 1462361793.66109991 XC Correction (4538.84265s) stopped
T01 << 1462361793.66406989 Atomic (4548.24752s) stopped
T01 >> 1462361793.66417193 Communicate (3569.62027s) started
T01 << 1462361799.41077495 Communicate (3575.36687s) stopped
T01 << 1462361799.41079807 Hamiltonian (17103.36402s) stopped
T01 >> 1462361799.41086102 LCAO eigensolver (6177.91883s) started
T01 >> 1462361799.41087389 Potential matrix (200.56151s) started
T01 << 1462361799.68265605 Potential matrix (200.83329s) stopped
T01 >> 1462361799.68272400 DistributedAtomicCorrection (1029.01886s) started
T01 << 1462361801.03872800 DistributedAtomicCorrection (1030.37486s) stopped
T01 >> 1462361801.03877592 Distribute overlap matrix (904.92345s) started
T01 >> 1462361801.03879595 blocked summation (858.56190s) started
T01 << 1462361802.18785691 blocked summation (859.71096s) stopped
T01 >> 1462361802.18954206 Scalapack redistribute (45.11303s) started
T01 << 1462361802.24675703 Scalapack redistribute (45.17025s) stopped
T01 << 1462361802.24684095 Distribute overlap matrix (906.13151s) stopped
T01 >> 1462361802.24741197 Blacs Orbital Layouts (2120.17359s) started
T01 >> 1462361802.24878311 General diagonalize (2077.43980s) started
T01 << 1462361804.94055200 General diagonalize (2080.13157s) stopped
T01 >> 1462361804.94061804 Redistribute coefs (2.36253s) started
T01 << 1462361804.94335508 Redistribute coefs (2.36527s) stopped
T01 >> 1462361804.94343996 Send coefs to domains (39.12026s) started
T01 << 1462361804.99592209 Send coefs to domains (39.17275s) stopped
T01 << 1462361804.99625492 Blacs Orbital Layouts (2122.92243s) stopped
T01 >> 1462361804.99631190 Calculate projections (1922.57637s) started
T01 << 1462361807.43462110 Calculate projections (1925.01468s) stopped
T01 << 1462361807.43490100 LCAO eigensolver (6185.94287s) stopped
T01 >> 1462361807.43561006 Density (1522.46768s) started
T01 >> 1462361807.43562293 Pseudo density (1260.47711s) started
T01 >> 1462361807.43614507 Calculate density matrix (1132.52346s) started
T01 << 1462361809.04523802 Calculate density matrix (1134.13255s) stopped
T01 >> 1462361809.04532409 Construct density (126.12803s) started
T01 << 1462361809.23048997 Construct density (126.31320s) stopped
T01 >> 1462361809.23192191 Symmetrize density (0.03177s) started
T01 << 1462361809.23195410 Symmetrize density (0.03180s) stopped
T01 << 1462361809.23239899 Pseudo density (1262.27389s) stopped
T01 >> 1462361809.23241901 Atomic density matrices (173.99070s) started
T01 << 1462361809.48027205 Atomic density matrices (174.23855s) stopped
T01 >> 1462361809.48030901 Multipole moments (2.85618s) started
T01 << 1462361809.48451591 Multipole moments (2.86039s) stopped
T01 >> 1462361809.48453808 Normalize (0.78263s) started
T01 << 1462361809.48567009 Normalize (0.78376s) stopped
T01 >> 1462361809.48570609 Mix (84.31222s) started
T01 << 1462361809.60113692 Mix (84.42765s) stopped
T01 << 1462361809.60127807 Density (1524.63335s) stopped
T01 >> 1462361809.60140300 Hamiltonian (17103.36403s) started
T01 >> 1462361809.60142398 vbar (10.37425s) started
T01 << 1462361809.61562109 vbar (10.38845s) stopped
T01 >> 1462361809.61569905 XC 3D grid (7410.43881s) started
T01 >> 1462361809.79331803 van der Waals (7153.84388s) started
T01 >> 1462361809.83467507 semilocal (1604.46936s) started
T01 << 1462361812.05101991 semilocal (1606.68571s) stopped
T01 >> 1462361812.08214808 redistribute (771.50562s) started
T01 << 1462361812.48038411 redistribute (771.90386s) stopped
T01 >> 1462361812.48044801 libvdwxc nonlocal (4723.54465s) started
T01 << 1462361819.16733408 libvdwxc nonlocal (4730.23154s) stopped
T01 >> 1462361819.16740799 redistribute (771.90390s) started
T01 << 1462361819.81321192 redistribute (772.54970s) stopped
T01 << 1462361819.81442094 van der Waals (7163.86498s) stopped
T01 << 1462361819.99411607 XC 3D grid (7420.81723s) stopped
T01 >> 1462361819.99416804 Poisson (1484.90426s) started
T01 << 1462361822.37223697 Poisson (1487.28233s) stopped
T01 >> 1462361822.37230992 Hartree integrate/restrict (58.74839s) started
T01 << 1462361822.39142394 Hartree integrate/restrict (58.76750s) stopped
T01 >> 1462361822.39148808 Hartree integrate/restrict (58.76755s) started
T01 << 1462361822.45828605 Hartree integrate/restrict (58.83434s) stopped
T01 >> 1462361822.47576499 Atomic (4548.24753s) started
T01 >> 1462361822.48564911 XC Correction (4538.84268s) started
T01 << 1462361828.58071899 XC Correction (4544.93775s) stopped
T01 << 1462361828.58367896 Atomic (4554.35545s) stopped
T01 >> 1462361828.58378100 Communicate (3575.36689s) started
T01 << 1462361833.73859000 Communicate (3580.52170s) stopped
T01 << 1462361833.73861289 Hamiltonian (17127.50124s) stopped
T01 >> 1462361833.73868203 LCAO eigensolver (6185.94289s) started
T01 >> 1462361833.73869491 Potential matrix (200.83333s) started
T01 << 1462361834.01114702 Potential matrix (201.10578s) stopped
T01 >> 1462361834.01121402 DistributedAtomicCorrection (1030.37489s) started
T01 << 1462361835.35868001 DistributedAtomicCorrection (1031.72235s) stopped
T01 >> 1462361835.35872698 Distribute overlap matrix (906.13153s) started
T01 >> 1462361835.35874796 blocked summation (859.71100s) started
T01 << 1462361836.51906204 blocked summation (860.87132s) stopped
T01 >> 1462361836.52129006 Scalapack redistribute (45.17028s) started
T01 << 1462361836.58033609 Scalapack redistribute (45.22933s) stopped
T01 << 1462361836.58041811 Distribute overlap matrix (907.35322s) stopped
T01 >> 1462361836.58100796 Blacs Orbital Layouts (2122.92245s) started
T01 >> 1462361836.58237100 General diagonalize (2080.13161s) started
T01 << 1462361839.29017496 General diagonalize (2082.83941s) stopped
T01 >> 1462361839.29024005 Redistribute coefs (2.36531s) started
T01 << 1462361839.29309201 Redistribute coefs (2.36816s) stopped
T01 >> 1462361839.29313707 Send coefs to domains (39.17279s) started
T01 << 1462361839.34590006 Send coefs to domains (39.22555s) stopped
T01 << 1462361839.34625006 Blacs Orbital Layouts (2125.68769s) stopped
T01 >> 1462361839.34630489 Calculate projections (1925.01474s) started
T01 << 1462361841.78461909 Calculate projections (1927.45306s) stopped
T01 << 1462361841.78505611 LCAO eigensolver (6193.98926s) stopped
T01 >> 1462361841.78577805 Density (1524.63337s) started
T01 >> 1462361841.78579092 Pseudo density (1262.27390s) started
T01 >> 1462361841.78631401 Calculate density matrix (1134.13260s) started
T01 << 1462361843.40714788 Calculate density matrix (1135.75343s) stopped
T01 >> 1462361843.40723300 Construct density (126.31323s) started
T01 << 1462361843.59218693 Construct density (126.49818s) stopped
T01 >> 1462361843.59359288 Symmetrize density (0.03181s) started
T01 << 1462361843.59362507 Symmetrize density (0.03185s) stopped
T01 << 1462361843.59407091 Pseudo density (1264.08218s) stopped
T01 >> 1462361843.59409094 Atomic density matrices (174.23858s) started
T01 << 1462361843.84140706 Atomic density matrices (174.48589s) stopped
T01 >> 1462361843.84144306 Multipole moments (2.86040s) started
T01 << 1462361843.84568906 Multipole moments (2.86465s) stopped
T01 >> 1462361843.84571099 Normalize (0.78379s) started
T01 << 1462361843.84685993 Normalize (0.78494s) stopped
T01 >> 1462361843.84689593 Mix (84.42778s) started
T01 << 1462361843.96525502 Mix (84.54614s) stopped
T01 << 1462361843.96536803 Density (1526.81296s) stopped
T01 >> 1462361843.96549511 Hamiltonian (17127.50126s) started
T01 >> 1462361843.96551609 vbar (10.38850s) started
T01 << 1462361843.97999501 vbar (10.40297s) stopped
T01 >> 1462361843.98006392 XC 3D grid (7420.81727s) started
T01 >> 1462361844.15394402 van der Waals (7163.86502s) started
T01 >> 1462361844.19618893 semilocal (1606.68580s) started
T01 << 1462361846.40722108 semilocal (1608.89683s) stopped
T01 >> 1462361846.43871999 redistribute (772.54975s) started
T01 << 1462361846.83014202 redistribute (772.94117s) stopped
T01 >> 1462361846.83020806 libvdwxc nonlocal (4730.23159s) started
T01 << 1462361853.49778104 libvdwxc nonlocal (4736.89916s) stopped
T01 >> 1462361853.49785399 redistribute (772.94121s) started
T01 << 1462361854.14740109 redistribute (773.59075s) stopped
T01 << 1462361854.14872789 van der Waals (7173.85980s) stopped
T01 << 1462361854.32941890 XC 3D grid (7431.16662s) stopped
T01 >> 1462361854.32947612 Poisson (1487.28238s) started
T01 << 1462361856.69616008 Poisson (1489.64907s) stopped
T01 >> 1462361856.69626808 Hartree integrate/restrict (58.83439s) started
T01 << 1462361856.71526003 Hartree integrate/restrict (58.85339s) stopped
T01 >> 1462361856.71536493 Hartree integrate/restrict (58.85346s) started
T01 << 1462361856.78260708 Hartree integrate/restrict (58.92070s) stopped
T01 >> 1462361856.80047202 Atomic (4554.35547s) started
T01 >> 1462361856.81029606 XC Correction (4544.93777s) started
T01 << 1462361862.95255804 XC Correction (4551.08003s) stopped
T01 << 1462361862.95555305 Atomic (4560.51055s) stopped
T01 >> 1462361862.95565701 Communicate (3580.52171s) started
T01 << 1462361867.79592609 Communicate (3585.36198s) stopped
T01 << 1462361867.79594898 Hamiltonian (17151.33171s) stopped
T01 >> 1462361867.79601407 LCAO eigensolver (6193.98928s) started
T01 >> 1462361867.79602599 Potential matrix (201.10581s) started
T01 << 1462361868.06956506 Potential matrix (201.37935s) stopped
T01 >> 1462361868.06963301 DistributedAtomicCorrection (1031.72238s) started
T01 << 1462361869.41872811 DistributedAtomicCorrection (1033.07147s) stopped
T01 >> 1462361869.41877604 Distribute overlap matrix (907.35323s) started
T01 >> 1462361869.41879606 blocked summation (860.87136s) started
T01 << 1462361870.55958605 blocked summation (862.01215s) stopped
T01 >> 1462361870.56119704 Scalapack redistribute (45.22937s) started
T01 << 1462361870.61949992 Scalapack redistribute (45.28767s) stopped
T01 << 1462361870.61958289 Distribute overlap matrix (908.55404s) stopped
T01 >> 1462361870.62017393 Blacs Orbital Layouts (2125.68771s) started
T01 >> 1462361870.62167001 General diagonalize (2082.83945s) started
T01 << 1462361873.34288502 General diagonalize (2085.56067s) stopped
T01 >> 1462361873.34295201 Redistribute coefs (2.36819s) started
T01 << 1462361873.34575605 Redistribute coefs (2.37100s) stopped
T01 >> 1462361873.34584093 Send coefs to domains (39.22560s) started
T01 << 1462361873.39822006 Send coefs to domains (39.27798s) stopped
T01 << 1462361873.39857507 Blacs Orbital Layouts (2128.46611s) stopped
T01 >> 1462361873.39862800 Calculate projections (1927.45311s) started
T01 << 1462361875.83705091 Calculate projections (1929.89154s) stopped
T01 << 1462361875.83732510 LCAO eigensolver (6202.03059s) stopped
T01 >> 1462361875.83804893 Density (1526.81298s) started
T01 >> 1462361875.83806205 Pseudo density (1264.08220s) started
T01 >> 1462361875.83857203 Calculate density matrix (1135.75347s) started
T01 << 1462361877.46528411 Calculate density matrix (1137.38019s) stopped
T01 >> 1462361877.46537304 Construct density (126.49821s) started
T01 << 1462361877.65036011 Construct density (126.68320s) stopped
T01 >> 1462361877.65177202 Symmetrize density (0.03186s) started
T01 << 1462361877.65180492 Symmetrize density (0.03189s) stopped
T01 << 1462361877.65224695 Pseudo density (1265.89638s) stopped
T01 >> 1462361877.65226698 Atomic density matrices (174.48592s) started
T01 << 1462361877.89985204 Atomic density matrices (174.73350s) stopped
T01 >> 1462361877.89988804 Multipole moments (2.86466s) started
T01 << 1462361877.90410995 Multipole moments (2.86889s) stopped
T01 >> 1462361877.90413189 Normalize (0.78496s) started
T01 << 1462361877.90526390 Normalize (0.78609s) stopped
T01 >> 1462361877.90529704 Mix (84.54625s) started
T01 << 1462361878.02672005 Mix (84.66767s) stopped
T01 << 1462361878.02683210 Density (1529.00176s) stopped
T01 >> 1462361878.02695608 Hamiltonian (17151.33172s) started
T01 >> 1462361878.02697611 vbar (10.40301s) started
T01 << 1462361878.04140806 vbar (10.41745s) stopped
T01 >> 1462361878.04148102 XC 3D grid (7431.16667s) started
T01 >> 1462361878.21649909 van der Waals (7173.85985s) started
T01 >> 1462361878.25903511 semilocal (1608.89696s) started
T01 << 1462361880.47907090 semilocal (1611.11699s) stopped
T01 >> 1462361880.50933003 redistribute (773.59080s) started
T01 << 1462361880.89037991 redistribute (773.97185s) stopped
T01 >> 1462361880.89044595 libvdwxc nonlocal (4736.89921s) started
T01 << 1462361887.56715012 libvdwxc nonlocal (4743.57592s) stopped
T01 >> 1462361887.56724191 redistribute (773.97188s) started
T01 << 1462361888.23412991 redistribute (774.63877s) stopped
T01 << 1462361888.23583603 van der Waals (7183.87918s) stopped
T01 << 1462361888.40603304 XC 3D grid (7441.53122s) stopped
T01 >> 1462361888.40607905 Poisson (1489.64915s) started
T01 << 1462361890.77206302 Poisson (1492.01513s) stopped
T01 >> 1462361890.77215409 Hartree integrate/restrict (58.92073s) started
T01 << 1462361890.79134107 Hartree integrate/restrict (58.93992s) stopped
T01 >> 1462361890.79139996 Hartree integrate/restrict (58.93996s) started
T01 << 1462361890.85903311 Hartree integrate/restrict (59.00759s) stopped
T01 >> 1462361890.87444496 Atomic (4560.51056s) started
T01 >> 1462361890.88455200 XC Correction (4551.08005s) started
T01 << 1462361897.04834199 XC Correction (4557.24384s) stopped
T01 << 1462361897.05134201 Atomic (4566.68746s) stopped
T01 >> 1462361897.05144310 Communicate (3585.36200s) started
T01 << 1462361901.88444400 Communicate (3590.19500s) stopped
T01 << 1462361901.88446689 Hamiltonian (17175.18923s) stopped
T01 >> 1462361901.88453102 LCAO eigensolver (6202.03061s) started
T01 >> 1462361901.88454390 Potential matrix (201.37939s) started
T01 << 1462361902.15752602 Potential matrix (201.65237s) stopped
T01 >> 1462361902.15759611 DistributedAtomicCorrection (1033.07150s) started
T01 << 1462361903.50986910 DistributedAtomicCorrection (1034.42378s) stopped
T01 >> 1462361903.50991797 Distribute overlap matrix (908.55405s) started
T01 >> 1462361903.50993896 blocked summation (862.01219s) started
T01 << 1462361904.65487409 blocked summation (863.15712s) stopped
T01 >> 1462361904.65651703 Scalapack redistribute (45.28771s) started
T01 << 1462361904.71421003 Scalapack redistribute (45.34540s) stopped
T01 << 1462361904.71429801 Distribute overlap matrix (909.75843s) stopped
T01 >> 1462361904.71487308 Blacs Orbital Layouts (2128.46613s) started
T01 >> 1462361904.71626806 General diagonalize (2085.56071s) started
T01 << 1462361907.42299294 General diagonalize (2088.26743s) stopped
T01 >> 1462361907.42305803 Redistribute coefs (2.37103s) started
T01 << 1462361907.42662406 Redistribute coefs (2.37460s) stopped
T01 >> 1462361907.42667603 Send coefs to domains (39.27802s) started
T01 << 1462361907.47848010 Send coefs to domains (39.32982s) stopped
T01 << 1462361907.47882295 Blacs Orbital Layouts (2131.23008s) stopped
T01 >> 1462361907.47887707 Calculate projections (1929.89159s) started
T01 << 1462361909.91724491 Calculate projections (1932.32996s) stopped
T01 << 1462361909.91751599 LCAO eigensolver (6210.06360s) stopped
T01 >> 1462361909.91824102 Density (1529.00178s) started
T01 >> 1462361909.91825390 Pseudo density (1265.89639s) started
T01 >> 1462361909.91877294 Calculate density matrix (1137.38023s) started
T01 << 1462361911.54434896 Calculate density matrix (1139.00580s) stopped
T01 >> 1462361911.54443192 Construct density (126.68322s) started
T01 << 1462361911.72948694 Construct density (126.86828s) stopped
T01 >> 1462361911.73180294 Symmetrize density (0.03190s) started
T01 << 1462361911.73183608 Symmetrize density (0.03194s) stopped
T01 << 1462361911.73227692 Pseudo density (1267.71042s) stopped
T01 >> 1462361911.73229694 Atomic density matrices (174.73353s) started
T01 << 1462361911.98019695 Atomic density matrices (174.98143s) stopped
T01 >> 1462361911.98023391 Multipole moments (2.86890s) started
T01 << 1462361911.98446298 Multipole moments (2.87313s) stopped
T01 >> 1462361911.98448491 Normalize (0.78612s) started
T01 << 1462361911.98560095 Normalize (0.78723s) stopped
T01 >> 1462361911.98563695 Mix (84.66778s) started
T01 << 1462361912.10845399 Mix (84.79060s) stopped
T01 << 1462361912.10857797 Density (1531.19212s) stopped
T01 >> 1462361912.10870695 Hamiltonian (17175.18925s) started
T01 >> 1462361912.10872889 vbar (10.41749s) started
T01 << 1462361912.12312698 vbar (10.43189s) stopped
T01 >> 1462361912.12320209 XC 3D grid (7441.53125s) started
T01 >> 1462361912.30472493 van der Waals (7183.87926s) started
T01 >> 1462361912.34499311 semilocal (1611.11705s) started
T01 << 1462361914.57006407 semilocal (1613.34212s) stopped
T01 >> 1462361914.59933805 redistribute (774.63886s) started
T01 << 1462361914.97015309 redistribute (775.00967s) stopped
T01 >> 1462361914.97022009 libvdwxc nonlocal (4743.57598s) started
T01 << 1462361921.65179110 libvdwxc nonlocal (4750.25755s) stopped
T01 >> 1462361921.65184999 redistribute (775.00971s) started
T01 << 1462361922.31639504 redistribute (775.67425s) stopped
T01 << 1462361922.31816912 van der Waals (7193.89270s) stopped
T01 << 1462361922.49179506 XC 3D grid (7451.89985s) stopped
T01 >> 1462361922.49184394 Poisson (1492.01520s) started
T01 << 1462361924.86289692 Poisson (1494.38626s) stopped
T01 >> 1462361924.86297107 Hartree integrate/restrict (59.00764s) started
T01 << 1462361924.88181210 Hartree integrate/restrict (59.02648s) stopped
T01 >> 1462361924.88186407 Hartree integrate/restrict (59.02651s) started
T01 << 1462361924.95012689 Hartree integrate/restrict (59.09477s) stopped
T01 >> 1462361924.96273899 Atomic (4566.68748s) started
T01 >> 1462361924.97301888 XC Correction (4557.24387s) started
T01 << 1462361931.18830895 XC Correction (4563.45916s) stopped
T01 << 1462361931.19133806 Atomic (4572.91608s) stopped
T01 >> 1462361931.19143701 Communicate (3590.19501s) started
T01 << 1462361936.02423096 Communicate (3595.02781s) stopped
T01 << 1462361936.02425504 Hamiltonian (17199.10480s) stopped
T01 >> 1462361936.02432108 LCAO eigensolver (6210.06362s) started
T01 >> 1462361936.02433300 Potential matrix (201.65240s) started
T01 << 1462361936.29777908 Potential matrix (201.92585s) stopped
T01 >> 1462361936.29784799 DistributedAtomicCorrection (1034.42380s) started
T01 << 1462361937.64959192 DistributedAtomicCorrection (1035.77555s) stopped
T01 >> 1462361937.64964104 Distribute overlap matrix (909.75844s) started
T01 >> 1462361937.64966607 blocked summation (863.15716s) started
T01 << 1462361938.80424595 blocked summation (864.31174s) stopped
T01 >> 1462361938.80597901 Scalapack redistribute (45.34544s) started
T01 << 1462361938.86426306 Scalapack redistribute (45.40372s) stopped
T01 << 1462361938.86437201 Distribute overlap matrix (910.97317s) stopped
T01 >> 1462361938.86499691 Blacs Orbital Layouts (2131.23010s) started
T01 >> 1462361938.86655998 General diagonalize (2088.26747s) started
T01 << 1462361941.58721900 General diagonalize (2090.98813s) stopped
T01 >> 1462361941.58728409 Redistribute coefs (2.37464s) started
T01 << 1462361941.59072804 Redistribute coefs (2.37808s) stopped
T01 >> 1462361941.59077597 Send coefs to domains (39.32987s) started
T01 << 1462361941.64246202 Send coefs to domains (39.38155s) stopped
T01 << 1462361941.64281106 Blacs Orbital Layouts (2134.00791s) stopped
T01 >> 1462361941.64285994 Calculate projections (1932.33002s) started
T01 << 1462361944.08118200 Calculate projections (1934.76834s) stopped
T01 << 1462361944.08146095 LCAO eigensolver (6218.12076s) stopped
T01 >> 1462361944.08218789 Density (1531.19214s) started
T01 >> 1462361944.08220100 Pseudo density (1267.71043s) started
T01 >> 1462361944.08272409 Calculate density matrix (1139.00584s) started
T01 << 1462361945.70670891 Calculate density matrix (1140.62983s) stopped
T01 >> 1462361945.70679402 Construct density (126.86831s) started
T01 << 1462361945.89145899 Construct density (127.05297s) stopped
T01 >> 1462361945.89372396 Symmetrize density (0.03195s) started
T01 << 1462361945.89375591 Symmetrize density (0.03198s) stopped
T01 << 1462361945.89420009 Pseudo density (1269.52243s) stopped
T01 >> 1462361945.89422011 Atomic density matrices (174.98145s) started
T01 << 1462361946.14117193 Atomic density matrices (175.22840s) stopped
T01 >> 1462361946.14120793 Multipole moments (2.87315s) started
T01 << 1462361946.14542794 Multipole moments (2.87737s) stopped
T01 >> 1462361946.14545012 Normalize (0.78726s) started
T01 << 1462361946.14657307 Normalize (0.78838s) stopped
T01 >> 1462361946.14660811 Mix (84.79071s) started
T01 << 1462361946.26908803 Mix (84.91319s) stopped
T01 << 1462361946.26917195 Density (1533.37912s) stopped
T01 >> 1462361946.26930308 Hamiltonian (17199.10481s) started
T01 >> 1462361946.26932311 vbar (10.43193s) started
T01 << 1462361946.28359199 vbar (10.44620s) stopped
T01 >> 1462361946.28366399 XC 3D grid (7451.89988s) started
T01 >> 1462361946.45621896 van der Waals (7193.89280s) started
T01 >> 1462361946.49937391 semilocal (1613.34219s) started
T01 << 1462361948.71712089 semilocal (1615.55994s) stopped
T01 >> 1462361948.74864602 redistribute (775.67439s) started
T01 << 1462361949.12820005 redistribute (776.05395s) stopped
T01 >> 1462361949.12826705 libvdwxc nonlocal (4750.25759s) started
T01 << 1462361955.81724095 libvdwxc nonlocal (4756.94656s) stopped
T01 >> 1462361955.81731892 redistribute (776.05399s) started
T01 << 1462361956.48229098 redistribute (776.71896s) stopped
T01 << 1462361956.48387909 van der Waals (7203.92046s) stopped
T01 << 1462361956.65523291 XC 3D grid (7462.27145s) stopped
T01 >> 1462361956.65529609 Poisson (1494.38631s) started
T01 << 1462361958.44914508 Poisson (1496.18016s) stopped
T01 >> 1462361958.44927096 Hartree integrate/restrict (59.09482s) started
T01 << 1462361958.46804094 Hartree integrate/restrict (59.11359s) stopped
T01 >> 1462361958.46814609 Hartree integrate/restrict (59.11366s) started
T01 << 1462361958.53524399 Hartree integrate/restrict (59.18076s) stopped
T01 >> 1462361958.55362892 Atomic (4572.91609s) started
T01 >> 1462361958.56380105 XC Correction (4563.45918s) started
T01 << 1462361964.76912594 XC Correction (4569.66451s) stopped
T01 << 1462361964.77215099 Atomic (4579.13461s) stopped
T01 >> 1462361964.77224898 Communicate (3595.02782s) started
T01 << 1462361969.60777402 Communicate (3599.86335s) stopped
T01 << 1462361969.60779691 Hamiltonian (17222.44330s) stopped
T01 >> 1462361969.60786200 LCAO eigensolver (6218.12077s) started
T01 >> 1462361969.60787606 Potential matrix (201.92589s) started
T01 << 1462361969.88237906 Potential matrix (202.20039s) stopped
T01 >> 1462361969.88244510 DistributedAtomicCorrection (1035.77558s) started
T01 << 1462361971.23171210 DistributedAtomicCorrection (1037.12484s) stopped
T01 >> 1462361971.23176003 Distribute overlap matrix (910.97318s) started
T01 >> 1462361971.23178101 blocked summation (864.31178s) started
T01 << 1462361972.37315702 blocked summation (865.45315s) stopped
T01 >> 1462361972.37485290 Scalapack redistribute (45.40377s) started
T01 << 1462361972.43375111 Scalapack redistribute (45.46267s) stopped
T01 << 1462361972.43385601 Distribute overlap matrix (912.17528s) stopped
T01 >> 1462361972.43447590 Blacs Orbital Layouts (2134.00793s) started
T01 >> 1462361972.43601990 General diagonalize (2090.98817s) started
T01 << 1462361975.14217091 General diagonalize (2093.69432s) stopped
T01 >> 1462361975.14223909 Redistribute coefs (2.37812s) started
T01 << 1462361975.14567590 Redistribute coefs (2.38156s) stopped
T01 >> 1462361975.14572501 Send coefs to domains (39.38160s) started
T01 << 1462361975.19840097 Send coefs to domains (39.43427s) stopped
T01 << 1462361975.19875097 Blacs Orbital Layouts (2136.77221s) stopped
T01 >> 1462361975.19880605 Calculate projections (1934.76840s) started
T01 << 1462361977.63714910 Calculate projections (1937.20674s) stopped
T01 << 1462361977.63742900 LCAO eigensolver (6226.15034s) stopped
T01 >> 1462361977.63815403 Density (1533.37914s) started
T01 >> 1462361977.63816810 Pseudo density (1269.52245s) started
T01 >> 1462361977.63868809 Calculate density matrix (1140.62987s) started
T01 << 1462361979.26609707 Calculate density matrix (1142.25727s) stopped
T01 >> 1462361979.26618195 Construct density (127.05300s) started
T01 << 1462361979.45083094 Construct density (127.23765s) stopped
T01 >> 1462361979.45312095 Symmetrize density (0.03199s) started
T01 << 1462361979.45315504 Symmetrize density (0.03202s) stopped
T01 << 1462361979.45359993 Pseudo density (1271.33788s) stopped
T01 >> 1462361979.45361996 Atomic density matrices (175.22843s) started
T01 << 1462361979.70149493 Atomic density matrices (175.47630s) stopped
T01 >> 1462361979.70153189 Multipole moments (2.87738s) started
T01 << 1462361979.70580411 Multipole moments (2.88165s) stopped
T01 >> 1462361979.70582604 Normalize (0.78841s) started
T01 << 1462361979.70695090 Normalize (0.78953s) stopped
T01 >> 1462361979.70698595 Mix (84.91327s) started
T01 << 1462361979.82983589 Mix (85.03612s) stopped
T01 << 1462361979.82993197 Density (1535.57092s) stopped
T01 >> 1462361979.83005095 Hamiltonian (17222.44332s) started
T01 >> 1462361979.83007097 vbar (10.44623s) started
T01 << 1462361979.84463310 vbar (10.46079s) stopped
T01 >> 1462361979.84470296 XC 3D grid (7462.27151s) started
T01 >> 1462361980.01607895 van der Waals (7203.92055s) started
T01 >> 1462361980.05816698 semilocal (1615.56005s) started
T01 << 1462361982.29291010 semilocal (1617.79479s) stopped
T01 >> 1462361982.32636690 redistribute (776.71909s) started
T01 << 1462361982.70253992 redistribute (777.09526s) stopped
T01 >> 1462361982.70260596 libvdwxc nonlocal (4756.94662s) started
T01 << 1462361989.37995410 libvdwxc nonlocal (4763.62397s) stopped
T01 >> 1462361989.38004398 redistribute (777.09530s) started
T01 << 1462361990.04049706 redistribute (777.75575s) stopped
T01 << 1462361990.04235291 van der Waals (7213.94682s) stopped
T01 << 1462361990.22027493 XC 3D grid (7472.64708s) stopped
T01 >> 1462361990.22033000 Poisson (1496.18026s) started
T01 << 1462361992.00588608 Poisson (1497.96581s) stopped
T01 >> 1462361992.00595808 Hartree integrate/restrict (59.18080s) started
T01 << 1462361992.02497196 Hartree integrate/restrict (59.19981s) stopped
T01 >> 1462361992.02502298 Hartree integrate/restrict (59.19984s) started
T01 << 1462361992.08728790 Hartree integrate/restrict (59.26211s) stopped
T01 >> 1462361992.10892200 Atomic (4579.13463s) started
T01 >> 1462361992.11901903 XC Correction (4569.66453s) started
T01 << 1462361998.32285404 XC Correction (4575.86836s) stopped
T01 << 1462361998.32585597 Atomic (4585.35157s) stopped
T01 >> 1462361998.32595801 Communicate (3599.86336s) started
T01 << 1462362003.16321397 Communicate (3604.70062s) stopped
T01 << 1462362003.16323805 Hamiltonian (17245.77650s) stopped
T01 >> 1462362003.16330504 LCAO eigensolver (6226.15036s) started
T01 >> 1462362003.16331792 Potential matrix (202.20042s) started
T01 << 1462362003.43644810 Potential matrix (202.47355s) stopped
T01 >> 1462362003.43651509 DistributedAtomicCorrection (1037.12487s) started
T01 << 1462362004.78392792 DistributedAtomicCorrection (1038.47228s) stopped
T01 >> 1462362004.78397608 Distribute overlap matrix (912.17529s) started
T01 >> 1462362004.78399706 blocked summation (865.45319s) started
T01 << 1462362005.95048189 blocked summation (866.61968s) stopped
T01 >> 1462362005.95218396 Scalapack redistribute (45.46272s) started
T01 << 1462362006.01013207 Scalapack redistribute (45.52067s) stopped
T01 << 1462362006.01022196 Distribute overlap matrix (913.40154s) stopped
T01 >> 1462362006.01083899 Blacs Orbital Layouts (2136.77223s) started
T01 >> 1462362006.01242900 General diagonalize (2093.69436s) started
T01 << 1462362008.72065806 General diagonalize (2096.40259s) stopped
T01 >> 1462362008.72072506 Redistribute coefs (2.38160s) started
T01 << 1462362008.72429299 Redistribute coefs (2.38516s) stopped
T01 >> 1462362008.72433901 Send coefs to domains (39.43431s) started
T01 << 1462362008.77630401 Send coefs to domains (39.48628s) stopped
T01 << 1462362008.77663302 Blacs Orbital Layouts (2139.53802s) stopped
T01 >> 1462362008.77668500 Calculate projections (1937.20680s) started
T01 << 1462362011.21508598 Calculate projections (1939.64520s) stopped
T01 << 1462362011.21536493 LCAO eigensolver (6234.20242s) stopped
T01 >> 1462362011.21609902 Density (1535.57093s) started
T01 >> 1462362011.21611190 Pseudo density (1271.33789s) started
T01 >> 1462362011.21663094 Calculate density matrix (1142.25731s) started
T01 << 1462362012.83791900 Calculate density matrix (1143.87860s) stopped
T01 >> 1462362012.83800197 Construct density (127.23768s) started
T01 << 1462362013.02299404 Construct density (127.42267s) stopped
T01 >> 1462362013.02527404 Symmetrize density (0.03203s) started
T01 << 1462362013.02530909 Symmetrize density (0.03207s) stopped
T01 << 1462362013.02576208 Pseudo density (1273.14754s) stopped
T01 >> 1462362013.02578211 Atomic density matrices (175.47633s) started
T01 << 1462362013.27276111 Atomic density matrices (175.72331s) stopped
T01 >> 1462362013.27279711 Multipole moments (2.88167s) started
T01 << 1462362013.27704096 Multipole moments (2.88591s) stopped
T01 >> 1462362013.27706289 Normalize (0.78956s) started
T01 << 1462362013.27820611 Normalize (0.79070s) stopped
T01 >> 1462362013.27824211 Mix (85.03621s) started
T01 << 1462362013.40014696 Mix (85.15812s) stopped
T01 << 1462362013.40024209 Density (1537.75508s) stopped
T01 >> 1462362013.40037990 Hamiltonian (17245.77652s) started
T01 >> 1462362013.40039992 vbar (10.46084s) started
T01 << 1462362013.41504598 vbar (10.47548s) stopped
T01 >> 1462362013.41512299 XC 3D grid (7472.64712s) started
T01 >> 1462362013.59417701 van der Waals (7213.94691s) started
T01 >> 1462362013.63639998 semilocal (1617.79489s) started
T01 << 1462362015.86271906 semilocal (1620.02121s) stopped
T01 >> 1462362015.89304590 redistribute (777.75585s) started
T01 << 1462362016.26329494 redistribute (778.12610s) stopped
T01 >> 1462362016.26336408 libvdwxc nonlocal (4763.62403s) started
T01 << 1462362022.92612410 libvdwxc nonlocal (4770.28679s) stopped
T01 >> 1462362022.92621398 redistribute (778.12614s) started
T01 << 1462362023.59291196 redistribute (778.79284s) stopped
T01 << 1462362023.59497094 van der Waals (7223.94771s) stopped
T01 << 1462362023.77065706 XC 3D grid (7483.00265s) stopped
T01 >> 1462362023.77070594 Poisson (1497.96587s) started
T01 << 1462362025.55573106 Poisson (1499.75089s) stopped
T01 >> 1462362025.55581498 Hartree integrate/restrict (59.26214s) started
T01 << 1462362025.57488394 Hartree integrate/restrict (59.28121s) stopped
T01 >> 1462362025.57493305 Hartree integrate/restrict (59.28124s) started
T01 << 1462362025.63712406 Hartree integrate/restrict (59.34343s) stopped
T01 >> 1462362025.65587497 Atomic (4585.35158s) started
T01 >> 1462362025.66610694 XC Correction (4575.86839s) started
T01 << 1462362031.92482209 XC Correction (4582.12710s) stopped
T01 << 1462362031.92782307 Atomic (4591.62353s) stopped
T01 >> 1462362031.92792201 Communicate (3604.70063s) started
T01 << 1462362036.69152188 Communicate (3609.46423s) stopped
T01 << 1462362036.69154501 Hamiltonian (17269.06768s) stopped
T01 >> 1462362036.69160891 LCAO eigensolver (6234.20244s) started
T01 >> 1462362036.69162107 Potential matrix (202.47359s) started
T01 << 1462362036.96503711 Potential matrix (202.74700s) stopped
T01 >> 1462362036.96510506 DistributedAtomicCorrection (1038.47231s) started
T01 << 1462362038.31886506 DistributedAtomicCorrection (1039.82607s) stopped
T01 >> 1462362038.31891298 Distribute overlap matrix (913.40155s) started
T01 >> 1462362038.31893396 blocked summation (866.61972s) started
T01 << 1462362039.43965292 blocked summation (867.74044s) stopped
T01 >> 1462362039.44139695 Scalapack redistribute (45.52070s) started
T01 << 1462362039.50148606 Scalapack redistribute (45.58079s) stopped
T01 << 1462362039.50157905 Distribute overlap matrix (914.58422s) stopped
T01 >> 1462362039.50217605 Blacs Orbital Layouts (2139.53804s) started
T01 >> 1462362039.50374389 General diagonalize (2096.40263s) started
T01 << 1462362042.19675207 General diagonalize (2099.09563s) stopped
T01 >> 1462362042.19681811 Redistribute coefs (2.38520s) started
T01 << 1462362042.20041990 Redistribute coefs (2.38880s) stopped
T01 >> 1462362042.20046592 Send coefs to domains (39.48632s) started
T01 << 1462362042.25188208 Send coefs to domains (39.53774s) stopped
T01 << 1462362042.25222206 Blacs Orbital Layouts (2142.28809s) stopped
T01 >> 1462362042.25227094 Calculate projections (1939.64526s) started
T01 << 1462362044.69072700 Calculate projections (1942.08371s) stopped
T01 << 1462362044.69100308 LCAO eigensolver (6242.20183s) stopped
T01 >> 1462362044.69172812 Density (1537.75510s) started
T01 >> 1462362044.69174194 Pseudo density (1273.14756s) started
T01 >> 1462362044.69225788 Calculate density matrix (1143.87864s) started
T01 << 1462362046.31879997 Calculate density matrix (1145.50518s) stopped
T01 >> 1462362046.31888795 Construct density (127.42269s) started
T01 << 1462362046.50360608 Construct density (127.60741s) stopped
T01 >> 1462362046.50587201 Symmetrize density (0.03208s) started
T01 << 1462362046.50590491 Symmetrize density (0.03211s) stopped
T01 << 1462362046.50635505 Pseudo density (1274.96217s) stopped
T01 >> 1462362046.50637507 Atomic density matrices (175.72333s) started
T01 << 1462362046.75354910 Atomic density matrices (175.97051s) stopped
T01 >> 1462362046.75358605 Multipole moments (2.88593s) started
T01 << 1462362046.75784206 Multipole moments (2.89018s) stopped
T01 >> 1462362046.75786400 Normalize (0.79072s) started
T01 << 1462362046.75901008 Normalize (0.79187s) stopped
T01 >> 1462362046.75904489 Mix (85.15821s) started
T01 << 1462362046.88178492 Mix (85.28095s) stopped
T01 << 1462362046.88190293 Density (1539.94527s) stopped
T01 >> 1462362046.88203907 Hamiltonian (17269.06769s) started
T01 >> 1462362046.88206005 vbar (10.47553s) started
T01 << 1462362046.89679909 vbar (10.49027s) stopped
T01 >> 1462362046.89687204 XC 3D grid (7483.00269s) started
T01 >> 1462362047.07162404 van der Waals (7223.94779s) started
T01 >> 1462362047.11445904 semilocal (1620.02129s) started
T01 << 1462362049.32809305 semilocal (1622.23492s) stopped
T01 >> 1462362049.35887408 redistribute (778.79293s) started
T01 << 1462362049.75694108 redistribute (779.19100s) stopped
T01 >> 1462362049.75700688 libvdwxc nonlocal (4770.28685s) started
T01 << 1462362056.42147112 libvdwxc nonlocal (4776.95132s) stopped
T01 >> 1462362056.42154908 redistribute (779.19104s) started
T01 << 1462362057.08629894 redistribute (779.85579s) stopped
T01 << 1462362057.08820605 van der Waals (7233.96437s) stopped
T01 << 1462362057.26095200 XC 3D grid (7493.36677s) stopped
T01 >> 1462362057.26100206 Poisson (1499.75096s) started
T01 << 1462362059.04455996 Poisson (1501.53452s) stopped
T01 >> 1462362059.04465294 Hartree integrate/restrict (59.34347s) started
T01 << 1462362059.06369591 Hartree integrate/restrict (59.36251s) stopped
T01 >> 1462362059.06375599 Hartree integrate/restrict (59.36255s) started
T01 << 1462362059.13126493 Hartree integrate/restrict (59.43006s) stopped
T01 >> 1462362059.15011406 Atomic (4591.62355s) started
T01 >> 1462362059.16011190 XC Correction (4582.12713s) started
T01 << 1462362065.33618689 XC Correction (4588.30320s) stopped
T01 << 1462362065.33916903 Atomic (4597.81260s) stopped
T01 >> 1462362065.33927107 Communicate (3609.46425s) started
T01 << 1462362070.03504395 Communicate (3614.16002s) stopped
T01 << 1462362070.03506708 Hamiltonian (17292.22072s) stopped
T01 >> 1462362070.03513098 LCAO eigensolver (6242.20185s) started
T01 >> 1462362070.03514290 Potential matrix (202.74704s) started
T01 << 1462362070.30778503 Potential matrix (203.01968s) stopped
T01 >> 1462362070.30785298 DistributedAtomicCorrection (1039.82610s) started
T01 << 1462362071.65230608 DistributedAtomicCorrection (1041.17055s) stopped
T01 >> 1462362071.65235400 Distribute overlap matrix (914.58423s) started
T01 >> 1462362071.65237498 blocked summation (867.74048s) started
T01 << 1462362072.81607294 blocked summation (868.90418s) stopped
T01 >> 1462362072.81790495 Scalapack redistribute (45.58082s) started
T01 << 1462362072.87815905 Scalapack redistribute (45.64108s) stopped
T01 << 1462362072.87824607 Distribute overlap matrix (915.81012s) stopped
T01 >> 1462362072.87882805 Blacs Orbital Layouts (2142.28810s) started
T01 >> 1462362072.88024592 General diagonalize (2099.09567s) started
T01 << 1462362075.62692809 General diagonalize (2101.84236s) stopped
T01 >> 1462362075.62699604 Redistribute coefs (2.38884s) started
T01 << 1462362075.63058901 Redistribute coefs (2.39243s) stopped
T01 >> 1462362075.63063407 Send coefs to domains (39.53778s) started
T01 << 1462362075.68312407 Send coefs to domains (39.59027s) stopped
T01 << 1462362075.68345594 Blacs Orbital Layouts (2145.09273s) stopped
T01 >> 1462362075.68350410 Calculate projections (1942.08377s) started
T01 << 1462362078.12174106 Calculate projections (1944.52201s) stopped
T01 << 1462362078.12201810 LCAO eigensolver (6250.28874s) stopped
T01 >> 1462362078.12276101 Density (1539.94529s) started
T01 >> 1462362078.12277389 Pseudo density (1274.96218s) started
T01 >> 1462362078.12328696 Calculate density matrix (1145.50522s) started
T01 << 1462362079.75162506 Calculate density matrix (1147.13356s) stopped
T01 >> 1462362079.75171304 Construct density (127.60744s) started
T01 << 1462362079.93624806 Construct density (127.79198s) stopped
T01 >> 1462362079.93851089 Symmetrize density (0.03213s) started
T01 << 1462362079.93854308 Symmetrize density (0.03216s) stopped
T01 << 1462362079.93899608 Pseudo density (1276.77841s) stopped
T01 >> 1462362079.93901610 Atomic density matrices (175.97053s) started
T01 << 1462362080.18704200 Atomic density matrices (176.21856s) stopped
T01 >> 1462362080.18707895 Multipole moments (2.89020s) started
T01 << 1462362080.19134903 Multipole moments (2.89447s) stopped
T01 >> 1462362080.19137096 Normalize (0.79190s) started
T01 << 1462362080.19249511 Normalize (0.79302s) stopped
T01 >> 1462362080.19253111 Mix (85.28106s) started
T01 << 1462362080.31597900 Mix (85.40451s) stopped
T01 << 1462362080.31608200 Density (1542.13861s) stopped
T01 >> 1462362080.31621504 Hamiltonian (17292.22074s) started
T01 >> 1462362080.31623602 vbar (10.49031s) started
T01 << 1462362080.33082891 vbar (10.50490s) stopped
T01 >> 1462362080.33090806 XC 3D grid (7493.36681s) started
T01 >> 1462362080.49988294 van der Waals (7233.96442s) started
T01 >> 1462362080.54144001 semilocal (1622.23502s) started
T01 << 1462362082.76974607 semilocal (1624.46333s) stopped
T01 >> 1462362082.80039907 redistribute (779.85591s) started
T01 << 1462362083.17500710 redistribute (780.23052s) stopped
T01 >> 1462362083.17507505 libvdwxc nonlocal (4776.95137s) started
T01 << 1462362089.87011290 libvdwxc nonlocal (4783.64641s) stopped
T01 >> 1462362089.87016892 redistribute (780.23056s) started
T01 << 1462362090.53455091 redistribute (780.89494s) stopped
T01 << 1462362090.53624010 van der Waals (7244.00078s) stopped
T01 << 1462362090.70675707 XC 3D grid (7503.74265s) stopped
T01 >> 1462362090.70680690 Poisson (1501.53458s) started
T01 << 1462362092.49442410 Poisson (1503.32220s) stopped
T01 >> 1462362092.49450994 Hartree integrate/restrict (59.43011s) started
T01 << 1462362092.51351309 Hartree integrate/restrict (59.44911s) stopped
T01 >> 1462362092.51359200 Hartree integrate/restrict (59.44917s) started
T01 << 1462362092.58167100 Hartree integrate/restrict (59.51725s) stopped
T01 >> 1462362092.59829211 Atomic (4597.81262s) started
T01 >> 1462362092.60833502 XC Correction (4588.30323s) started
T01 << 1462362098.74110389 XC Correction (4594.43599s) stopped
T01 << 1462362098.74409008 Atomic (4603.95842s) stopped
T01 >> 1462362098.74419188 Communicate (3614.16004s) started
T01 << 1462362103.59931898 Communicate (3619.01517s) stopped
T01 << 1462362103.59934211 Hamiltonian (17315.50386s) stopped
T01 >> 1462362103.59940505 LCAO eigensolver (6250.28876s) started
T01 >> 1462362103.59941792 Potential matrix (203.01971s) started
T01 << 1462362103.87163591 Potential matrix (203.29193s) stopped
T01 >> 1462362103.87170696 DistributedAtomicCorrection (1041.17058s) started
T01 << 1462362105.22325110 DistributedAtomicCorrection (1042.52212s) stopped
T01 >> 1462362105.22329903 Distribute overlap matrix (915.81013s) started
T01 >> 1462362105.22331905 blocked summation (868.90422s) started
T01 << 1462362106.37639999 blocked summation (870.05730s) stopped
T01 >> 1462362106.37809801 Scalapack redistribute (45.64111s) started
T01 << 1462362106.43705606 Scalapack redistribute (45.70007s) stopped
T01 << 1462362106.43713689 Distribute overlap matrix (917.02397s) stopped
T01 >> 1462362106.43771911 Blacs Orbital Layouts (2145.09275s) started
T01 >> 1462362106.43939590 General diagonalize (2101.84239s) started
T01 << 1462362109.15669894 General diagonalize (2104.55970s) stopped
T01 >> 1462362109.15676308 Redistribute coefs (2.39247s) started
T01 << 1462362109.16025305 Redistribute coefs (2.39596s) stopped
T01 >> 1462362109.16030097 Send coefs to domains (39.59031s) started
T01 << 1462362109.21280289 Send coefs to domains (39.64281s) stopped
T01 << 1462362109.21315598 Blacs Orbital Layouts (2147.86819s) stopped
T01 >> 1462362109.21321201 Calculate projections (1944.52207s) started
T01 << 1462362111.65152502 Calculate projections (1946.96038s) stopped
T01 << 1462362111.65180612 LCAO eigensolver (6258.34116s) stopped
T01 >> 1462362111.65252090 Density (1542.13863s) started
T01 >> 1462362111.65253401 Pseudo density (1276.77842s) started
T01 >> 1462362111.65305805 Calculate density matrix (1147.13361s) started
T01 << 1462362113.27788401 Calculate density matrix (1148.75843s) stopped
T01 >> 1462362113.27796507 Construct density (127.79200s) started
T01 << 1462362113.46293092 Construct density (127.97697s) stopped
T01 >> 1462362113.46524000 Symmetrize density (0.03217s) started
T01 << 1462362113.46527290 Symmetrize density (0.03220s) stopped
T01 << 1462362113.46572590 Pseudo density (1278.59161s) stopped
T01 >> 1462362113.46574593 Atomic density matrices (176.21858s) started
T01 << 1462362113.71284699 Atomic density matrices (176.46568s) stopped
T01 >> 1462362113.71288204 Multipole moments (2.89448s) started
T01 << 1462362113.71717310 Multipole moments (2.89877s) stopped
T01 >> 1462362113.71719503 Normalize (0.79305s) started
T01 << 1462362113.71832895 Normalize (0.79418s) stopped
T01 >> 1462362113.71836400 Mix (85.40461s) started
T01 << 1462362113.84116602 Mix (85.52741s) stopped
T01 << 1462362113.84125590 Density (1544.32737s) stopped
T01 >> 1462362113.84137797 Hamiltonian (17315.50388s) started
T01 >> 1462362113.84139895 vbar (10.50495s) started
T01 << 1462362113.85586691 vbar (10.51941s) stopped
T01 >> 1462362113.85593891 XC 3D grid (7503.74269s) started
T01 >> 1462362114.03726006 van der Waals (7244.00088s) started
T01 >> 1462362114.07723498 semilocal (1624.46338s) started
T01 << 1462362116.30619001 semilocal (1626.69234s) stopped
T01 >> 1462362116.33586407 redistribute (780.89502s) started
T01 << 1462362116.70979190 redistribute (781.26895s) stopped
T01 >> 1462362116.70986009 libvdwxc nonlocal (4783.64645s) started
T01 << 1462362123.39208889 libvdwxc nonlocal (4790.32868s) stopped
T01 >> 1462362123.39217806 redistribute (781.26899s) started
T01 << 1462362124.06024599 redistribute (781.93706s) stopped
T01 << 1462362124.06195092 van der Waals (7254.02557s) stopped
T01 << 1462362124.23640895 XC 3D grid (7514.12316s) stopped
T01 >> 1462362124.23645806 Poisson (1503.32227s) started
T01 << 1462362125.44207311 Poisson (1504.52788s) stopped
T01 >> 1462362125.44216108 Hartree integrate/restrict (59.51730s) started
T01 << 1462362125.46106005 Hartree integrate/restrict (59.53619s) stopped
T01 >> 1462362125.46111202 Hartree integrate/restrict (59.53623s) started
T01 << 1462362125.52846694 Hartree integrate/restrict (59.60358s) stopped
T01 >> 1462362125.54202199 Atomic (4603.95844s) started
T01 >> 1462362125.55201411 XC Correction (4594.43602s) started
T01 << 1462362131.68689704 XC Correction (4600.57090s) stopped
T01 << 1462362131.68989611 Atomic (4610.10631s) stopped
T01 >> 1462362131.68999910 Communicate (3619.01518s) started
T01 << 1462362136.58941102 Communicate (3623.91459s) stopped
T01 << 1462362136.58943391 Hamiltonian (17338.25193s) stopped
T01 >> 1462362136.58949900 LCAO eigensolver (6258.34118s) started
T01 >> 1462362136.58951092 Potential matrix (203.29197s) started
T01 << 1462362136.86146903 Potential matrix (203.56393s) stopped
T01 >> 1462362136.86153507 DistributedAtomicCorrection (1042.52215s) started
T01 << 1462362138.21134710 DistributedAtomicCorrection (1043.87196s) stopped
T01 >> 1462362138.21139598 Distribute overlap matrix (917.02398s) started
T01 >> 1462362138.21141696 blocked summation (870.05734s) started
T01 << 1462362139.36700201 blocked summation (871.21292s) stopped
T01 >> 1462362139.36869311 Scalapack redistribute (45.70011s) started
T01 << 1462362139.42845297 Scalapack redistribute (45.75987s) stopped
T01 << 1462362139.42854095 Distribute overlap matrix (918.24113s) stopped
T01 >> 1462362139.42913294 Blacs Orbital Layouts (2147.86821s) started
T01 >> 1462362139.43074393 General diagonalize (2104.55973s) started
T01 << 1462362142.11926603 General diagonalize (2107.24826s) stopped
T01 >> 1462362142.11933208 Redistribute coefs (2.39599s) started
T01 << 1462362142.12281203 Redistribute coefs (2.39947s) stopped
T01 >> 1462362142.12285995 Send coefs to domains (39.64285s) started
T01 << 1462362142.17487693 Send coefs to domains (39.69487s) stopped
T01 << 1462362142.17519808 Blacs Orbital Layouts (2150.61427s) stopped
T01 >> 1462362142.17524600 Calculate projections (1946.96044s) started
T01 << 1462362144.61364102 Calculate projections (1949.39883s) stopped
T01 << 1462362144.61392212 LCAO eigensolver (6266.36560s) stopped
T01 << 1462362144.61464691 SCF-cycle (25149.59852s) stopped
T01 >> 1462362145.54120493 Force calculation (1497.22413s) started
T01 >> 1462362145.54126692 LCAO forces (926.46469s) started
T01 >> 1462362145.54161811 Initial (0.00109s) started
T01 << 1462362145.54162908 Initial (0.00110s) stopped
T01 >> 1462362145.54597092 Get density matrix (181.22137s) started
T01 << 1462362146.15811706 Get density matrix (181.83352s) stopped
T01 >> 1462362146.15819192 Potential (66.72161s) started
T01 << 1462362147.61017609 Potential (68.17359s) stopped
T01 >> 1462362147.61022711 Get density matrix (181.83355s) started
T01 << 1462362150.87149501 Get density matrix (185.09482s) stopped
T01 >> 1462362150.87163305 Prepare TCI loop (90.22978s) started
T01 >> 1462362150.87212110 Get neighbors (85.09413s) started
T01 << 1462362152.73055696 Get neighbors (86.95257s) stopped
T01 >> 1462362152.73078489 broadcast dH (5.10190s) started
T01 << 1462362152.74100089 broadcast dH (5.11212s) stopped
T01 << 1462362152.74104691 Prepare TCI loop (92.09919s) stopped
T01 >> 1462362152.74106407 Not so complicated loop (129.90893s) started
T01 << 1462362155.47053099 Not so complicated loop (132.63840s) stopped
T01 >> 1462362155.59786606 Complicated loop (451.71112s) started
T01 << 1462362165.28283501 Complicated loop (461.39609s) stopped
T01 >> 1462362165.29891300 Wait for sum (0.00272s) started
T01 << 1462362165.29895806 Wait for sum (0.00276s) stopped
T01 << 1462362165.29897094 LCAO forces (946.22240s) stopped
T01 << 1462362177.77664995 Force calculation (1529.45958s) stopped
T01 >> 1462362177.79461002 Initialization (2458.99726s) started
T01 << 1462362177.79480505 Initialization (2458.99746s) stopped
T01 >> 1462362177.79504895 Initialization (2458.99747s) started
T01 << 1462362177.79518509 Initialization (2458.99761s) stopped
T01 >> 1462362177.79532504 Initialization (2458.99762s) started
T01 << 1462362177.79545808 Initialization (2458.99776s) stopped
T01 >> 1462362198.10622692 Initialization (2458.99778s) started
T01 >> 1462362198.20609188 Basic WFS set positions (4.77714s) started
T01 >> 1462362198.20612001 Redistribute (0.09662s) started
T01 << 1462362198.20626402 Redistribute (0.09676s) stopped
T01 << 1462362198.30460596 Basic WFS set positions (4.87565s) stopped
T01 >> 1462362198.30463696 Basis functions set positions (20.25751s) started
T01 << 1462362198.72157311 Basis functions set positions (20.67445s) stopped
T01 >> 1462362198.72239804 TCI: Calculate S, T, P (737.72821s) started
T01 << 1462362213.82790399 TCI: Calculate S, T, P (752.83371s) stopped
T01 >> 1462362213.82797909 blocked summation (197.58201s) started
T01 << 1462362218.11311603 blocked summation (201.86715s) stopped
T01 >> 1462362218.11484694 Scalapack redistribute (11.88991s) started
T01 << 1462362218.17406702 Scalapack redistribute (11.94913s) stopped
T01 >> 1462362218.17442393 blocked summation (201.86726s) started
T01 << 1462362218.33434200 blocked summation (202.02718s) stopped
T01 >> 1462362218.33598804 Scalapack redistribute (11.94920s) started
T01 << 1462362218.53595495 Scalapack redistribute (12.14917s) stopped
T01 >> 1462362218.53746009 Redistribute (0.09843s) started
T01 << 1462362218.53838491 Redistribute (0.09935s) stopped
T01 >> 1462362219.46195006 Redistribute (0.09937s) started
T01 << 1462362219.46287203 Redistribute (0.10029s) stopped
T01 >> 1462362219.47340107 LCAO WFS Initialize (1435.72474s) started
T01 >> 1462362219.47342896 Density initialize from wavefunctions (58.62583s) started
T01 >> 1462362219.47384906 Calculate density matrix (33.84548s) started
T01 << 1462362220.17521691 Calculate density matrix (34.54684s) stopped
T01 >> 1462362220.17528391 Construct density (8.46455s) started
T01 << 1462362220.35981488 Construct density (8.64908s) stopped
T01 >> 1462362220.36139703 Symmetrize density (0.00209s) started
T01 << 1462362220.36142898 Symmetrize density (0.00212s) stopped
T01 << 1462362220.70480704 Density initialize from wavefunctions (59.85721s) stopped
T01 >> 1462362220.70536804 Hamiltonian (1376.87557s) started
T01 >> 1462362220.70540404 vbar (0.72399s) started
T01 << 1462362220.71968102 vbar (0.73827s) stopped
T01 >> 1462362220.71975398 XC 3D grid (504.72106s) started
T01 >> 1462362220.90202093 van der Waals (487.23155s) started
T01 >> 1462362220.94261289 semilocal (108.65821s) started
T01 << 1462362223.16333604 semilocal (110.87893s) stopped
T01 >> 1462362223.19449401 redistribute (51.90928s) started
T01 << 1462362223.58032107 redistribute (52.29511s) stopped
T01 >> 1462362223.58039093 libvdwxc nonlocal (322.96789s) started
T01 << 1462362230.28019691 libvdwxc nonlocal (329.66769s) stopped
T01 >> 1462362230.28024697 redistribute (52.29514s) started
T01 << 1462362230.93114400 redistribute (52.94604s) stopped
T01 << 1462362230.93246508 van der Waals (497.26200s) stopped
T01 << 1462362231.11260796 XC 3D grid (515.11391s) stopped
T01 >> 1462362231.11266088 Poisson (230.03696s) started
T01 << 1462362235.85421705 Poisson (234.77852s) stopped
T01 >> 1462362235.85429907 Hartree integrate/restrict (3.97291s) started
T01 << 1462362235.87323594 Hartree integrate/restrict (3.99185s) stopped
T01 >> 1462362235.87328696 Hartree integrate/restrict (3.99188s) started
T01 << 1462362235.93459201 Hartree integrate/restrict (4.05319s) stopped
T01 >> 1462362235.95748091 Atomic (323.55314s) started
T01 >> 1462362235.96792293 XC Correction (322.89866s) started
T01 << 1462362242.58196807 XC Correction (329.51271s) stopped
T01 << 1462362242.58500290 Atomic (330.18066s) stopped
T01 >> 1462362242.58521390 Communicate (312.80979s) started
T01 << 1462362248.66966105 Communicate (318.89424s) stopped
T01 << 1462362248.66968393 Hamiltonian (1404.83989s) stopped
T01 << 1462362248.66973305 LCAO WFS Initialize (1464.92107s) stopped
T01 << 1462362248.68178296 Initialization (2509.57333s) stopped
T01 >> 1462362248.70684099 SCF-cycle (25149.59854s) started
T01 >> 1462362248.70688105 LCAO eigensolver (6266.36562s) started
T01 >> 1462362248.70689392 Potential matrix (203.56396s) started
T01 << 1462362248.97929597 Potential matrix (203.83636s) stopped
T01 >> 1462362248.97936606 DistributedAtomicCorrection (1043.87199s) started
T01 << 1462362250.33657789 DistributedAtomicCorrection (1045.22920s) stopped
T01 >> 1462362250.33662796 Distribute overlap matrix (918.24114s) started
T01 >> 1462362250.33665204 blocked summation (871.21296s) started
T01 << 1462362251.48963809 blocked summation (872.36595s) stopped
T01 >> 1462362251.49211907 Scalapack redistribute (45.75990s) started
T01 << 1462362251.54737806 Scalapack redistribute (45.81516s) stopped
T01 << 1462362251.54745889 Distribute overlap matrix (919.45197s) stopped
T01 >> 1462362251.54807901 Blacs Orbital Layouts (2150.61429s) started
T01 >> 1462362251.54959202 General diagonalize (2107.24829s) started
T01 << 1462362254.27108598 General diagonalize (2109.96979s) stopped
T01 >> 1462362254.27113605 Redistribute coefs (2.39951s) started
T01 << 1462362254.27393794 Redistribute coefs (2.40231s) stopped
T01 >> 1462362254.27398491 Send coefs to domains (39.69491s) started
T01 << 1462362254.32633901 Send coefs to domains (39.74726s) stopped
T01 << 1462362254.32672501 Blacs Orbital Layouts (2153.39294s) stopped
T01 >> 1462362254.32678103 Calculate projections (1949.39889s) started
T01 << 1462362256.76537800 Calculate projections (1951.83749s) stopped
T01 << 1462362256.76582098 LCAO eigensolver (6274.42456s) stopped
T01 >> 1462362256.76645494 Density (1544.32739s) started
T01 >> 1462362256.76646805 Pseudo density (1278.59163s) started
T01 >> 1462362256.76692009 Calculate density matrix (1148.75847s) started
T01 << 1462362258.37887502 Calculate density matrix (1150.37043s) stopped
T01 >> 1462362258.37893891 Construct density (127.97700s) started
T01 << 1462362258.56339693 Construct density (128.16145s) stopped
T01 >> 1462362258.56480098 Symmetrize density (0.03221s) started
T01 << 1462362258.56483507 Symmetrize density (0.03225s) stopped
T01 << 1462362258.56527495 Pseudo density (1280.39043s) stopped
T01 >> 1462362258.56529403 Atomic density matrices (176.46571s) started
T01 << 1462362258.81166506 Atomic density matrices (176.71208s) stopped
T01 >> 1462362258.81170201 Multipole moments (2.89878s) started
T01 << 1462362258.81591201 Multipole moments (2.90299s) stopped
T01 >> 1462362258.81593394 Normalize (0.79420s) started
T01 << 1462362258.81701708 Normalize (0.79529s) stopped
T01 >> 1462362258.81705308 Mix (85.52750s) started
T01 << 1462362258.92430496 Mix (85.63475s) stopped
T01 << 1462362258.92443109 Density (1546.48536s) stopped
T01 >> 1462362258.92455196 Hamiltonian (17338.25195s) started
T01 >> 1462362258.92457294 vbar (10.51945s) started
T01 << 1462362258.93887210 vbar (10.53375s) stopped
T01 >> 1462362258.93893790 XC 3D grid (7514.12320s) started
T01 >> 1462362259.11590910 van der Waals (7254.02564s) started
T01 >> 1462362259.15839291 semilocal (1626.69243s) started
T01 << 1462362261.39397407 semilocal (1628.92801s) stopped
T01 >> 1462362261.42412591 redistribute (781.93719s) started
T01 << 1462362261.80110693 redistribute (782.31417s) stopped
T01 >> 1462362261.80117512 libvdwxc nonlocal (4790.32874s) started
T01 << 1462362268.49108696 libvdwxc nonlocal (4797.01865s) stopped
T01 >> 1462362268.49114799 redistribute (782.31421s) started
T01 << 1462362269.15130305 redistribute (782.97437s) stopped
T01 << 1462362269.15234089 van der Waals (7264.06207s) stopped
T01 << 1462362269.33187890 XC 3D grid (7524.51614s) stopped
T01 >> 1462362269.33193707 Poisson (1504.52794s) started
T01 << 1462362271.72229004 Poisson (1506.91830s) stopped
T01 >> 1462362271.72238588 Hartree integrate/restrict (59.60362s) started
T01 << 1462362271.74109197 Hartree integrate/restrict (59.62233s) stopped
T01 >> 1462362271.74123812 Hartree integrate/restrict (59.62243s) started
T01 << 1462362271.80347490 Hartree integrate/restrict (59.68466s) stopped
T01 >> 1462362271.82540798 Atomic (4610.10633s) started
T01 >> 1462362271.83548188 XC Correction (4600.57092s) started
T01 << 1462362278.47530890 XC Correction (4607.21075s) stopped
T01 << 1462362278.47825694 Atomic (4616.75918s) stopped
T01 >> 1462362278.47835708 Communicate (3623.91461s) started
T01 << 1462362283.97870207 Communicate (3629.41495s) stopped
T01 << 1462362283.97872496 Hamiltonian (17363.30612s) stopped
T01 >> 1462362283.97878790 LCAO eigensolver (6274.42458s) started
T01 >> 1462362283.97880006 Potential matrix (203.83640s) started
T01 << 1462362284.25320292 Potential matrix (204.11080s) stopped
T01 >> 1462362284.25326991 DistributedAtomicCorrection (1045.22923s) started
T01 << 1462362285.61255002 DistributedAtomicCorrection (1046.58851s) stopped
T01 >> 1462362285.61259890 Distribute overlap matrix (919.45198s) started
T01 >> 1462362285.61262012 blocked summation (872.36599s) started
T01 << 1462362286.77829099 blocked summation (873.53166s) stopped
T01 >> 1462362286.78025293 Scalapack redistribute (45.81520s) started
T01 << 1462362286.84022689 Scalapack redistribute (45.87517s) stopped
T01 << 1462362286.84030795 Distribute overlap matrix (920.67969s) stopped
T01 >> 1462362286.84089398 Blacs Orbital Layouts (2153.39295s) started
T01 >> 1462362286.84306598 General diagonalize (2109.96983s) started
T01 << 1462362289.56003308 General diagonalize (2112.68680s) stopped
T01 >> 1462362289.56009793 Redistribute coefs (2.40235s) started
T01 << 1462362289.56288505 Redistribute coefs (2.40514s) stopped
T01 >> 1462362289.56297493 Send coefs to domains (39.74731s) started
T01 << 1462362289.61552691 Send coefs to domains (39.79986s) stopped
T01 << 1462362289.61613703 Blacs Orbital Layouts (2156.16820s) stopped
T01 >> 1462362289.61619210 Calculate projections (1951.83755s) started
T01 << 1462362292.05481195 Calculate projections (1954.27617s) stopped
T01 << 1462362292.05508900 LCAO eigensolver (6282.50088s) stopped
T01 >> 1462362292.05573297 Density (1546.48538s) started
T01 >> 1462362292.05574608 Pseudo density (1280.39045s) started
T01 >> 1462362292.05619502 Calculate density matrix (1150.37047s) started
T01 << 1462362293.67155194 Calculate density matrix (1151.98583s) stopped
T01 >> 1462362293.67163610 Construct density (128.16148s) started
T01 << 1462362293.85656404 Construct density (128.34641s) stopped
T01 >> 1462362293.85795593 Symmetrize density (0.03226s) started
T01 << 1462362293.85799003 Symmetrize density (0.03229s) stopped
T01 << 1462362293.85842204 Pseudo density (1282.19312s) stopped
T01 >> 1462362293.85844111 Atomic density matrices (176.71210s) started
T01 << 1462362294.10545301 Atomic density matrices (176.95911s) stopped
T01 >> 1462362294.10549092 Multipole moments (2.90301s) started
T01 << 1462362294.10976195 Multipole moments (2.90728s) stopped
T01 >> 1462362294.10978389 Normalize (0.79531s) started
T01 << 1462362294.11086106 Normalize (0.79639s) stopped
T01 >> 1462362294.11089706 Mix (85.63487s) started
T01 << 1462362294.22184992 Mix (85.74582s) stopped
T01 << 1462362294.22196507 Density (1548.65162s) stopped
T01 >> 1462362294.22208691 Hamiltonian (17363.30613s) started
T01 >> 1462362294.22210908 vbar (10.53379s) started
T01 << 1462362294.23619199 vbar (10.54787s) stopped
T01 >> 1462362294.23625588 XC 3D grid (7524.51619s) started
T01 >> 1462362294.41581011 van der Waals (7264.06211s) started
T01 >> 1462362294.45799208 semilocal (1628.92809s) started
T01 << 1462362296.67921209 semilocal (1631.14931s) stopped
T01 >> 1462362296.71003294 redistribute (782.97441s) started
T01 << 1462362297.09127212 redistribute (783.35565s) stopped
T01 >> 1462362297.09134102 libvdwxc nonlocal (4797.01869s) started
T01 << 1462362303.80501604 libvdwxc nonlocal (4803.73236s) stopped
T01 >> 1462362303.80510402 redistribute (783.35569s) started
T01 << 1462362304.45514297 redistribute (784.00573s) stopped
T01 << 1462362304.45653296 van der Waals (7274.10284s) stopped
T01 << 1462362304.63807702 XC 3D grid (7534.91801s) stopped
T01 >> 1462362304.63812900 Poisson (1506.91837s) started
T01 << 1462362307.02776194 Poisson (1509.30800s) stopped
T01 >> 1462362307.02785301 Hartree integrate/restrict (59.68470s) started
T01 << 1462362307.04692292 Hartree integrate/restrict (59.70377s) stopped
T01 >> 1462362307.04699707 Hartree integrate/restrict (59.70382s) started
T01 << 1462362307.10921192 Hartree integrate/restrict (59.76604s) stopped
T01 >> 1462362307.12728691 Atomic (4616.75919s) started
T01 >> 1462362307.13734794 XC Correction (4607.21077s) started
T01 << 1462362313.42976403 XC Correction (4613.50319s) stopped
T01 << 1462362313.43274403 Atomic (4623.06465s) stopped
T01 >> 1462362313.43284702 Communicate (3629.41497s) started
T01 << 1462362319.14512300 Communicate (3635.12725s) stopped
T01 << 1462362319.14514709 Hamiltonian (17388.22919s) stopped
T01 >> 1462362319.14521194 LCAO eigensolver (6282.50090s) started
T01 >> 1462362319.14522505 Potential matrix (204.11083s) started
T01 << 1462362319.41860795 Potential matrix (204.38422s) stopped
T01 >> 1462362319.41867805 DistributedAtomicCorrection (1046.58854s) started
T01 << 1462362320.77301598 DistributedAtomicCorrection (1047.94288s) stopped
T01 >> 1462362320.77306390 Distribute overlap matrix (920.67970s) started
T01 >> 1462362320.77308512 blocked summation (873.53170s) started
T01 << 1462362321.91752505 blocked summation (874.67614s) stopped
T01 >> 1462362321.91951799 Scalapack redistribute (45.87521s) started
T01 << 1462362321.97789598 Scalapack redistribute (45.93359s) stopped
T01 << 1462362321.97797489 Distribute overlap matrix (921.88462s) stopped
T01 >> 1462362321.97855997 Blacs Orbital Layouts (2156.16822s) started
T01 >> 1462362321.97990298 General diagonalize (2112.68683s) started
T01 << 1462362324.71000099 General diagonalize (2115.41693s) stopped
T01 >> 1462362324.71006703 Redistribute coefs (2.40517s) started
T01 << 1462362324.71282291 Redistribute coefs (2.40793s) stopped
T01 >> 1462362324.71290803 Send coefs to domains (39.79991s) started
T01 << 1462362324.76486802 Send coefs to domains (39.85187s) stopped
T01 << 1462362324.76523304 Blacs Orbital Layouts (2158.95489s) stopped
T01 >> 1462362324.76529098 Calculate projections (1954.27622s) started
T01 << 1462362327.20380998 Calculate projections (1956.71474s) stopped
T01 << 1462362327.20408702 LCAO eigensolver (6290.55977s) stopped
T01 >> 1462362327.20480895 Density (1548.65164s) started
T01 >> 1462362327.20482206 Pseudo density (1282.19314s) started
T01 >> 1462362327.20527196 Calculate density matrix (1151.98587s) started
T01 << 1462362328.81385803 Calculate density matrix (1153.59446s) stopped
T01 >> 1462362328.81392598 Construct density (128.34643s) started
T01 << 1462362328.99829507 Construct density (128.53080s) stopped
T01 >> 1462362328.99970007 Symmetrize density (0.03230s) started
T01 << 1462362328.99973297 Symmetrize density (0.03234s) stopped
T01 << 1462362329.00017405 Pseudo density (1283.98849s) stopped
T01 >> 1462362329.00019312 Atomic density matrices (176.95914s) started
T01 << 1462362329.24712110 Atomic density matrices (177.20607s) stopped
T01 >> 1462362329.24715805 Multipole moments (2.90730s) started
T01 << 1462362329.25141501 Multipole moments (2.91155s) stopped
T01 >> 1462362329.25143600 Normalize (0.79642s) started
T01 << 1462362329.25255704 Normalize (0.79754s) stopped
T01 >> 1462362329.25259304 Mix (85.74593s) started
T01 << 1462362329.36714005 Mix (85.86048s) stopped
T01 << 1462362329.36724591 Density (1550.81407s) stopped
T01 >> 1462362329.36735892 Hamiltonian (17388.22921s) started
T01 >> 1462362329.36738110 vbar (10.54791s) started
T01 << 1462362329.38219404 vbar (10.56272s) stopped
T01 >> 1462362329.38226509 XC 3D grid (7534.91805s) started
T01 >> 1462362329.56330490 van der Waals (7274.10289s) started
T01 >> 1462362329.60482693 semilocal (1631.14940s) started
T01 << 1462362331.83400393 semilocal (1633.37857s) stopped
T01 >> 1462362331.86505890 redistribute (784.00577s) started
T01 << 1462362332.24938202 redistribute (784.39009s) stopped
T01 >> 1462362332.24943089 libvdwxc nonlocal (4803.73242s) started
T01 << 1462362338.95080400 libvdwxc nonlocal (4810.43379s) stopped
T01 >> 1462362338.95087600 redistribute (784.39013s) started
T01 << 1462362339.60062599 redistribute (785.03988s) stopped
T01 << 1462362339.60181594 van der Waals (7284.14140s) stopped
T01 << 1462362339.77973104 XC 3D grid (7545.31551s) stopped
T01 >> 1462362339.77977705 Poisson (1509.30808s) started
T01 << 1462362342.15704608 Poisson (1511.68534s) stopped
T01 >> 1462362342.15714097 Hartree integrate/restrict (59.76607s) started
T01 << 1462362342.17632103 Hartree integrate/restrict (59.78525s) stopped
T01 >> 1462362342.17639303 Hartree integrate/restrict (59.78531s) started
T01 << 1462362342.23887992 Hartree integrate/restrict (59.84779s) stopped
T01 >> 1462362342.26170993 Atomic (4623.06467s) started
T01 >> 1462362342.27181792 XC Correction (4613.50322s) started
T01 << 1462362348.47736502 XC Correction (4619.70876s) stopped
T01 << 1462362348.48033190 Atomic (4629.28329s) stopped
T01 >> 1462362348.48043299 Communicate (3635.12726s) started
T01 << 1462362353.65299511 Communicate (3640.29982s) stopped
T01 << 1462362353.65302706 Hamiltonian (17412.51488s) stopped
T01 >> 1462362353.65309596 LCAO eigensolver (6290.55979s) started
T01 >> 1462362353.65310907 Potential matrix (204.38425s) started
T01 << 1462362353.92605996 Potential matrix (204.65720s) stopped
T01 >> 1462362353.92612696 DistributedAtomicCorrection (1047.94290s) started
T01 << 1462362355.27774906 DistributedAtomicCorrection (1049.29453s) stopped
T01 >> 1462362355.27779794 Distribute overlap matrix (921.88463s) started
T01 >> 1462362355.27781892 blocked summation (874.67618s) started
T01 << 1462362356.42753792 blocked summation (875.82590s) stopped
T01 >> 1462362356.43001699 Scalapack redistribute (45.93362s) started
T01 << 1462362356.48640299 Scalapack redistribute (45.99001s) stopped
T01 << 1462362356.48648095 Distribute overlap matrix (923.09331s) stopped
T01 >> 1462362356.48707891 Blacs Orbital Layouts (2158.95491s) started
T01 >> 1462362356.48859596 General diagonalize (2115.41697s) started
T01 << 1462362359.21494007 General diagonalize (2118.14331s) stopped
T01 >> 1462362359.21500611 Redistribute coefs (2.40797s) started
T01 << 1462362359.21780300 Redistribute coefs (2.41076s) stopped
T01 >> 1462362359.21788812 Send coefs to domains (39.85191s) started
T01 << 1462362359.27040911 Send coefs to domains (39.90443s) stopped
T01 << 1462362359.27078700 Blacs Orbital Layouts (2161.73862s) stopped
T01 >> 1462362359.27084398 Calculate projections (1956.71480s) started
T01 << 1462362361.70937204 Calculate projections (1959.15333s) stopped
T01 << 1462362361.70981002 LCAO eigensolver (6298.61650s) stopped
T01 >> 1462362361.71053100 Density (1550.81409s) started
T01 >> 1462362361.71054411 Pseudo density (1283.98850s) started
T01 >> 1462362361.71099806 Calculate density matrix (1153.59450s) started
T01 << 1462362363.32352591 Calculate density matrix (1155.20703s) stopped
T01 >> 1462362363.32361388 Construct density (128.53083s) started
T01 << 1462362363.50796890 Construct density (128.71519s) stopped
T01 >> 1462362363.50938702 Symmetrize density (0.03235s) started
T01 << 1462362363.50941992 Symmetrize density (0.03238s) stopped
T01 << 1462362363.50986290 Pseudo density (1285.78782s) stopped
T01 >> 1462362363.50988293 Atomic density matrices (177.20609s) started
T01 << 1462362363.75682306 Atomic density matrices (177.45303s) stopped
T01 >> 1462362363.75686002 Multipole moments (2.91157s) started
T01 << 1462362363.76109695 Multipole moments (2.91580s) stopped
T01 >> 1462362363.76111889 Normalize (0.79756s) started
T01 << 1462362363.76219010 Normalize (0.79863s) stopped
T01 >> 1462362363.76222610 Mix (85.86058s) started
T01 << 1462362363.88086891 Mix (85.97923s) stopped
T01 << 1462362363.88097191 Density (1552.98453s) stopped
T01 >> 1462362363.88107610 Hamiltonian (17412.51489s) started
T01 >> 1462362363.88109708 vbar (10.56276s) started
T01 << 1462362363.89553690 vbar (10.57720s) stopped
T01 >> 1462362363.89560294 XC 3D grid (7545.31555s) started
T01 >> 1462362364.07234406 van der Waals (7284.14144s) started
T01 >> 1462362364.11405396 semilocal (1633.37869s) started
T01 << 1462362366.34071589 semilocal (1635.60535s) stopped
T01 >> 1462362366.37148595 redistribute (785.03993s) started
T01 << 1462362366.77668905 redistribute (785.44513s) stopped
T01 >> 1462362366.77675891 libvdwxc nonlocal (4810.43383s) started
T01 << 1462362373.45612001 libvdwxc nonlocal (4817.11320s) stopped
T01 >> 1462362373.45618296 redistribute (785.44517s) started
T01 << 1462362374.12099600 redistribute (786.10998s) stopped
T01 << 1462362374.12250400 van der Waals (7294.19160s) stopped
T01 << 1462362374.29622507 XC 3D grid (7555.71617s) stopped
T01 >> 1462362374.29628897 Poisson (1511.68542s) started
T01 << 1462362376.67110801 Poisson (1514.06024s) stopped
T01 >> 1462362376.67122602 Hartree integrate/restrict (59.84783s) started
T01 << 1462362376.69000101 Hartree integrate/restrict (59.86660s) stopped
T01 >> 1462362376.69013405 Hartree integrate/restrict (59.86669s) started
T01 << 1462362376.75336289 Hartree integrate/restrict (59.92992s) stopped
T01 >> 1462362376.77604795 Atomic (4629.28331s) started
T01 >> 1462362376.78616309 XC Correction (4619.70879s) started
T01 << 1462362383.00626493 XC Correction (4625.92889s) stopped
T01 << 1462362383.00923991 Atomic (4635.51650s) stopped
T01 >> 1462362383.00934005 Communicate (3640.29985s) started
T01 << 1462362387.72395492 Communicate (3645.01446s) stopped
T01 << 1462362387.72397709 Hamiltonian (17436.35779s) stopped
T01 >> 1462362387.72404099 LCAO eigensolver (6298.61652s) started
T01 >> 1462362387.72405410 Potential matrix (204.65724s) started
T01 << 1462362387.99666095 Potential matrix (204.92984s) stopped
T01 >> 1462362387.99672699 DistributedAtomicCorrection (1049.29455s) started
T01 << 1462362389.34844804 DistributedAtomicCorrection (1050.64627s) stopped
T01 >> 1462362389.34849596 Distribute overlap matrix (923.09332s) started
T01 >> 1462362389.34851599 blocked summation (875.82594s) started
T01 << 1462362390.49639702 blocked summation (876.97382s) stopped
T01 >> 1462362390.49786305 Scalapack redistribute (45.99004s) started
T01 << 1462362390.55887890 Scalapack redistribute (46.05106s) stopped
T01 << 1462362390.55895805 Distribute overlap matrix (924.30378s) stopped
T01 >> 1462362390.55955291 Blacs Orbital Layouts (2161.73863s) started
T01 >> 1462362390.56171107 General diagonalize (2118.14335s) started
T01 << 1462362393.28052902 General diagonalize (2120.86217s) stopped
T01 >> 1462362393.28059506 Redistribute coefs (2.41080s) started
T01 << 1462362393.28427505 Redistribute coefs (2.41448s) stopped
T01 >> 1462362393.28432107 Send coefs to domains (39.90448s) started
T01 << 1462362393.33606911 Send coefs to domains (39.95622s) stopped
T01 << 1462362393.33663297 Blacs Orbital Layouts (2164.51571s) stopped
T01 >> 1462362393.33669305 Calculate projections (1959.15339s) started
T01 << 1462362395.77533102 Calculate projections (1961.59203s) stopped
T01 << 1462362395.77560806 LCAO eigensolver (6306.66809s) stopped
T01 >> 1462362395.77630806 Density (1552.98455s) started
T01 >> 1462362395.77632093 Pseudo density (1285.78784s) started
T01 >> 1462362395.77676606 Calculate density matrix (1155.20708s) started
T01 << 1462362397.39534903 Calculate density matrix (1156.82566s) stopped
T01 >> 1462362397.39543605 Construct density (128.71521s) started
T01 << 1462362397.58039594 Construct density (128.90017s) stopped
T01 >> 1462362397.58269405 Symmetrize density (0.03239s) started
T01 << 1462362397.58272791 Symmetrize density (0.03243s) stopped
T01 << 1462362397.58316112 Pseudo density (1287.59468s) stopped
T01 >> 1462362397.58317995 Atomic density matrices (177.45306s) started
T01 << 1462362397.82885599 Atomic density matrices (177.69873s) stopped
T01 >> 1462362397.82889199 Multipole moments (2.91582s) started
T01 << 1462362397.83311796 Multipole moments (2.92004s) stopped
T01 >> 1462362397.83314109 Normalize (0.79866s) started
T01 << 1462362397.83421707 Normalize (0.79973s) stopped
T01 >> 1462362397.83425212 Mix (85.97932s) started
T01 << 1462362397.95488596 Mix (86.09996s) stopped
T01 << 1462362397.95499396 Density (1555.16324s) stopped
T01 >> 1462362397.95509505 Hamiltonian (17436.35780s) started
T01 >> 1462362397.95511603 vbar (10.57724s) started
T01 << 1462362397.96965599 vbar (10.59178s) stopped
T01 >> 1462362397.96971798 XC 3D grid (7555.71622s) started
T01 >> 1462362398.14570904 van der Waals (7294.19168s) started
T01 >> 1462362398.18838310 semilocal (1635.60542s) started
T01 << 1462362400.40452909 semilocal (1637.82157s) stopped
T01 >> 1462362400.43569899 redistribute (786.11011s) started
T01 << 1462362400.83151793 redistribute (786.50592s) stopped
T01 >> 1462362400.83158708 libvdwxc nonlocal (4817.11323s) started
T01 << 1462362407.51069093 libvdwxc nonlocal (4823.79234s) stopped
T01 >> 1462362407.51077890 redistribute (786.50596s) started
T01 << 1462362408.18120408 redistribute (787.17639s) stopped
T01 << 1462362408.18302393 van der Waals (7304.22900s) stopped
T01 << 1462362408.35300994 XC 3D grid (7566.09951s) stopped
T01 >> 1462362408.35306692 Poisson (1514.06033s) started
T01 << 1462362410.72324991 Poisson (1516.43051s) stopped
T01 >> 1462362410.72334409 Hartree integrate/restrict (59.92996s) started
T01 << 1462362410.74256802 Hartree integrate/restrict (59.94918s) stopped
T01 >> 1462362410.74262905 Hartree integrate/restrict (59.94922s) started
T01 << 1462362410.80518293 Hartree integrate/restrict (60.01178s) stopped
T01 >> 1462362410.82165003 Atomic (4635.51652s) started
T01 >> 1462362410.83178091 XC Correction (4625.92891s) started
T01 << 1462362417.05114889 XC Correction (4632.14828s) stopped
T01 << 1462362417.05414605 Atomic (4641.74901s) stopped
T01 >> 1462362417.05424595 Communicate (3645.01448s) started
T01 << 1462362421.76999807 Communicate (3649.73023s) stopped
T01 << 1462362421.77002096 Hamiltonian (17460.17273s) stopped
T01 >> 1462362421.77008510 LCAO eigensolver (6306.66811s) started
T01 >> 1462362421.77009797 Potential matrix (204.92987s) started
T01 << 1462362422.04258299 Potential matrix (205.20236s) stopped
T01 >> 1462362422.04265189 DistributedAtomicCorrection (1050.64630s) started
T01 << 1462362423.41992402 DistributedAtomicCorrection (1052.02357s) stopped
T01 >> 1462362423.41997194 Distribute overlap matrix (924.30380s) started
T01 >> 1462362423.41999292 blocked summation (876.97386s) started
T01 << 1462362424.51276898 blocked summation (878.06663s) stopped
T01 >> 1462362424.51444793 Scalapack redistribute (46.05110s) started
T01 << 1462362424.57413006 Scalapack redistribute (46.11078s) stopped
T01 << 1462362424.57420993 Distribute overlap matrix (925.45803s) stopped
T01 >> 1462362424.57481098 Blacs Orbital Layouts (2164.51574s) started
T01 >> 1462362424.57617497 General diagonalize (2120.86221s) started
T01 << 1462362427.28460789 General diagonalize (2123.57064s) stopped
T01 >> 1462362427.28467798 Redistribute coefs (2.41452s) started
T01 << 1462362427.28829694 Redistribute coefs (2.41814s) stopped
T01 >> 1462362427.28837109 Send coefs to domains (39.95627s) started
T01 << 1462362427.34027100 Send coefs to domains (40.00817s) stopped
T01 << 1462362427.34061790 Blacs Orbital Layouts (2167.28154s) stopped
T01 >> 1462362427.34067798 Calculate projections (1961.59208s) started
T01 << 1462362429.77936292 Calculate projections (1964.03077s) stopped
T01 << 1462362429.77963495 LCAO eigensolver (6314.67766s) stopped
T01 >> 1462362429.78034997 Density (1555.16326s) started
T01 >> 1462362429.78036308 Pseudo density (1287.59469s) started
T01 >> 1462362429.78081489 Calculate density matrix (1156.82571s) started
T01 << 1462362431.39677000 Calculate density matrix (1158.44166s) stopped
T01 >> 1462362431.39685512 Construct density (128.90020s) started
T01 << 1462362431.58116698 Construct density (129.08451s) stopped
T01 >> 1462362431.58345509 Symmetrize density (0.03244s) started
T01 << 1462362431.58348799 Symmetrize density (0.03247s) stopped
T01 << 1462362431.58393598 Pseudo density (1289.39826s) stopped
T01 >> 1462362431.58395600 Atomic density matrices (177.69876s) started
T01 << 1462362431.82893395 Atomic density matrices (177.94373s) stopped
T01 >> 1462362431.82896996 Multipole moments (2.92006s) started
T01 << 1462362431.83318806 Multipole moments (2.92428s) stopped
T01 >> 1462362431.83320999 Normalize (0.79976s) started
T01 << 1462362431.83426404 Normalize (0.80081s) stopped
T01 >> 1462362431.83430004 Mix (86.10006s) started
T01 << 1462362431.95684290 Mix (86.22260s) stopped
T01 << 1462362431.95695305 Density (1557.33986s) stopped
T01 >> 1462362431.95705605 Hamiltonian (17460.17274s) started
T01 >> 1462362431.95707607 vbar (10.59181s) started
T01 << 1462362431.97181797 vbar (10.60656s) stopped
T01 >> 1462362431.97188306 XC 3D grid (7566.09955s) started
T01 >> 1462362432.14434290 van der Waals (7304.22907s) started
T01 >> 1462362432.18548107 semilocal (1637.82165s) started
T01 << 1462362434.40198112 semilocal (1640.03815s) stopped
T01 >> 1462362434.43275094 redistribute (787.17648s) started
T01 << 1462362434.81833291 redistribute (787.56206s) stopped
T01 >> 1462362434.81840205 libvdwxc nonlocal (4823.79239s) started
T01 << 1462362441.48499107 libvdwxc nonlocal (4830.45898s) stopped
T01 >> 1462362441.48507309 redistribute (787.56210s) started
T01 << 1462362442.15258098 redistribute (788.22960s) stopped
T01 << 1462362442.15397692 van der Waals (7314.23871s) stopped
T01 << 1462362442.32695103 XC 3D grid (7576.45462s) stopped
T01 >> 1462362442.32700109 Poisson (1516.43059s) started
T01 << 1462362444.69623709 Poisson (1518.79982s) stopped
T01 >> 1462362444.69631696 Hartree integrate/restrict (60.01181s) started
T01 << 1462362444.71518707 Hartree integrate/restrict (60.03068s) stopped
T01 >> 1462362444.71523809 Hartree integrate/restrict (60.03071s) started
T01 << 1462362444.77702999 Hartree integrate/restrict (60.09250s) stopped
T01 >> 1462362444.80062103 Atomic (4641.74903s) started
T01 >> 1462362444.81111002 XC Correction (4632.14830s) started
T01 << 1462362451.08071399 XC Correction (4638.41791s) stopped
T01 << 1462362451.08372498 Atomic (4648.03213s) stopped
T01 >> 1462362451.08382702 Communicate (3649.73024s) started
T01 << 1462362455.69951010 Communicate (3654.34593s) stopped
T01 << 1462362455.69953299 Hamiltonian (17483.91522s) stopped
T01 >> 1462362455.69959903 LCAO eigensolver (6314.67768s) started
T01 >> 1462362455.69961095 Potential matrix (205.20239s) started
T01 << 1462362455.97169089 Potential matrix (205.47447s) stopped
T01 >> 1462362455.97175598 DistributedAtomicCorrection (1052.02360s) started
T01 << 1462362457.34870505 DistributedAtomicCorrection (1053.40055s) stopped
T01 >> 1462362457.34875298 Distribute overlap matrix (925.45805s) started
T01 >> 1462362457.34877300 blocked summation (878.06667s) started
T01 << 1462362458.45368910 blocked summation (879.17159s) stopped
T01 >> 1462362458.45532107 Scalapack redistribute (46.11081s) started
T01 << 1462362458.51571608 Scalapack redistribute (46.17121s) stopped
T01 << 1462362458.51579690 Distribute overlap matrix (926.62509s) stopped
T01 >> 1462362458.51637912 Blacs Orbital Layouts (2167.28156s) started
T01 >> 1462362458.51771808 General diagonalize (2123.57068s) started
T01 << 1462362461.22876310 General diagonalize (2126.28173s) stopped
T01 >> 1462362461.22882795 Redistribute coefs (2.41820s) started
T01 << 1462362461.23257303 Redistribute coefs (2.42194s) stopped
T01 >> 1462362461.23262000 Send coefs to domains (40.00821s) started
T01 << 1462362461.28422308 Send coefs to domains (40.05982s) stopped
T01 << 1462362461.28455997 Blacs Orbital Layouts (2170.04974s) stopped
T01 >> 1462362461.28461504 Calculate projections (1964.03082s) started
T01 << 1462362463.72321391 Calculate projections (1966.46942s) stopped
T01 << 1462362463.72349095 LCAO eigensolver (6322.70157s) stopped
T01 >> 1462362463.72421694 Density (1557.33988s) started
T01 >> 1462362463.72423005 Pseudo density (1289.39828s) started
T01 >> 1462362463.72468305 Calculate density matrix (1158.44170s) started
T01 << 1462362465.34470606 Calculate density matrix (1160.06173s) stopped
T01 >> 1462362465.34478998 Construct density (129.08454s) started
T01 << 1462362465.52925301 Construct density (129.26900s) stopped
T01 >> 1462362465.53065705 Symmetrize density (0.03248s) started
T01 << 1462362465.53068805 Symmetrize density (0.03251s) stopped
T01 << 1462362465.53111911 Pseudo density (1291.20517s) stopped
T01 >> 1462362465.53113794 Atomic density matrices (177.94376s) started
T01 << 1462362465.77750897 Atomic density matrices (178.19013s) stopped
T01 >> 1462362465.77754593 Multipole moments (2.92429s) started
T01 << 1462362465.78178501 Multipole moments (2.92853s) stopped
T01 >> 1462362465.78180695 Normalize (0.80084s) started
T01 << 1462362465.78288698 Normalize (0.80192s) stopped
T01 >> 1462362465.78292298 Mix (86.22271s) started
T01 << 1462362465.90583301 Mix (86.34562s) stopped
T01 << 1462362465.90594602 Density (1559.52161s) stopped
T01 >> 1462362465.90604496 Hamiltonian (17483.91523s) started
T01 >> 1462362465.90606499 vbar (10.60659s) started
T01 << 1462362465.92060494 vbar (10.62113s) stopped
T01 >> 1462362465.92067790 XC 3D grid (7576.45466s) started
T01 >> 1462362466.09508991 van der Waals (7314.23876s) started
T01 >> 1462362466.13752389 semilocal (1640.03826s) started
T01 << 1462362468.35111308 semilocal (1642.25185s) stopped
T01 >> 1462362468.38233995 redistribute (788.22967s) started
T01 << 1462362468.77151394 redistribute (788.61884s) stopped
T01 >> 1462362468.77158308 libvdwxc nonlocal (4830.45904s) started
T01 << 1462362475.45006204 libvdwxc nonlocal (4837.13751s) stopped
T01 >> 1462362475.45015597 redistribute (788.61888s) started
T01 << 1462362476.11692405 redistribute (789.28565s) stopped
T01 << 1462362476.11824608 van der Waals (7324.26192s) stopped
T01 << 1462362476.29903007 XC 3D grid (7586.83301s) stopped
T01 >> 1462362476.29907489 Poisson (1518.79988s) started
T01 << 1462362478.67522192 Poisson (1521.17603s) stopped
T01 >> 1462362478.67531800 Hartree integrate/restrict (60.09255s) started
T01 << 1462362478.69423294 Hartree integrate/restrict (60.11146s) stopped
T01 >> 1462362478.69431710 Hartree integrate/restrict (60.11152s) started
T01 << 1462362478.75604606 Hartree integrate/restrict (60.17324s) stopped
T01 >> 1462362478.77394009 Atomic (4648.03215s) started
T01 >> 1462362478.78412199 XC Correction (4638.41793s) started
T01 << 1462362485.03789401 XC Correction (4644.67170s) stopped
T01 << 1462362485.04088402 Atomic (4654.29909s) stopped
T01 >> 1462362485.04098511 Communicate (3654.34594s) started
T01 << 1462362489.70611691 Communicate (3659.01107s) stopped
T01 << 1462362489.70613909 Hamiltonian (17507.71532s) stopped
T01 >> 1462362489.70620298 LCAO eigensolver (6322.70159s) started
T01 >> 1462362489.70621490 Potential matrix (205.47451s) started
T01 << 1462362489.97991610 Potential matrix (205.74821s) stopped
T01 >> 1462362489.97998095 DistributedAtomicCorrection (1053.40058s) started
T01 << 1462362491.35407090 DistributedAtomicCorrection (1054.77467s) stopped
T01 >> 1462362491.35412002 Distribute overlap matrix (926.62510s) started
T01 >> 1462362491.35414100 blocked summation (879.17162s) started
T01 << 1462362492.44864893 blocked summation (880.26613s) stopped
T01 >> 1462362492.45033598 Scalapack redistribute (46.17125s) started
T01 << 1462362492.51229310 Scalapack redistribute (46.23320s) stopped
T01 << 1462362492.51237297 Distribute overlap matrix (927.78335s) stopped
T01 >> 1462362492.51295495 Blacs Orbital Layouts (2170.04976s) started
T01 >> 1462362492.51429009 General diagonalize (2126.28177s) started
T01 << 1462362495.25875497 General diagonalize (2129.02623s) stopped
T01 >> 1462362495.25882006 Redistribute coefs (2.42198s) started
T01 << 1462362495.26267505 Redistribute coefs (2.42584s) stopped
T01 >> 1462362495.26272106 Send coefs to domains (40.05986s) started
T01 << 1462362495.31510997 Send coefs to domains (40.11225s) stopped
T01 << 1462362495.31543994 Blacs Orbital Layouts (2172.85225s) stopped
T01 >> 1462362495.31549406 Calculate projections (1966.46948s) started
T01 << 1462362497.75400090 Calculate projections (1968.90799s) stopped
T01 << 1462362497.75427890 LCAO eigensolver (6330.74967s) stopped
T01 >> 1462362497.75497794 Density (1559.52163s) started
T01 >> 1462362497.75499105 Pseudo density (1291.20518s) started
T01 >> 1462362497.75543308 Calculate density matrix (1160.06177s) started
T01 << 1462362499.39059997 Calculate density matrix (1161.69693s) stopped
T01 >> 1462362499.39068699 Construct density (129.26903s) started
T01 << 1462362499.57559705 Construct density (129.45394s) stopped
T01 >> 1462362499.57700992 Symmetrize density (0.03253s) started
T01 << 1462362499.57704210 Symmetrize density (0.03256s) stopped
T01 << 1462362499.57747793 Pseudo density (1293.02767s) stopped
T01 >> 1462362499.57749796 Atomic density matrices (178.19015s) started
T01 << 1462362499.82365990 Atomic density matrices (178.43631s) stopped
T01 >> 1462362499.82369590 Multipole moments (2.92854s) started
T01 << 1462362499.82798910 Multipole moments (2.93284s) stopped
T01 >> 1462362499.82801104 Normalize (0.80194s) started
T01 << 1462362499.82908392 Normalize (0.80302s) stopped
T01 >> 1462362499.82911992 Mix (86.34572s) started
T01 << 1462362499.95124102 Mix (86.46784s) stopped
T01 << 1462362499.95136595 Density (1561.71802s) stopped
T01 >> 1462362499.95146799 Hamiltonian (17507.71534s) started
T01 >> 1462362499.95148897 vbar (10.62118s) started
T01 << 1462362499.96570611 vbar (10.63539s) stopped
T01 >> 1462362499.96577311 XC 3D grid (7586.83304s) started
T01 >> 1462362500.14700389 van der Waals (7324.26195s) started
T01 >> 1462362500.18836689 semilocal (1642.25193s) started
T01 << 1462362502.41532993 semilocal (1644.47889s) stopped
T01 >> 1462362502.44515204 redistribute (789.28569s) started
T01 << 1462362502.82303405 redistribute (789.66357s) stopped
T01 >> 1462362502.82310390 libvdwxc nonlocal (4837.13758s) started
T01 << 1462362509.47802901 libvdwxc nonlocal (4843.79250s) stopped
T01 >> 1462362509.47811103 redistribute (789.66361s) started
T01 << 1462362510.15393710 redistribute (790.33944s) stopped
T01 << 1462362510.15505099 van der Waals (7334.27000s) stopped
T01 << 1462362510.33548808 XC 3D grid (7597.20276s) stopped
T01 >> 1462362510.33553505 Poisson (1521.17610s) started
T01 << 1462362512.12418890 Poisson (1522.96475s) stopped
T01 >> 1462362512.12426591 Hartree integrate/restrict (60.17328s) started
T01 << 1462362512.14314604 Hartree integrate/restrict (60.19216s) stopped
T01 >> 1462362512.14319611 Hartree integrate/restrict (60.19219s) started
T01 << 1462362512.20422196 Hartree integrate/restrict (60.25322s) stopped
T01 >> 1462362512.22351909 Atomic (4654.29911s) started
T01 >> 1462362512.23370695 XC Correction (4644.67173s) started
T01 << 1462362518.51334405 XC Correction (4650.95136s) stopped
T01 << 1462362518.51633596 Atomic (4660.59193s) stopped
T01 >> 1462362518.51643610 Communicate (3659.01109s) started
T01 << 1462362523.17141700 Communicate (3663.66607s) stopped
T01 << 1462362523.17143893 Hamiltonian (17530.93531s) stopped
T01 >> 1462362523.17150497 LCAO eigensolver (6330.74969s) started
T01 >> 1462362523.17151809 Potential matrix (205.74824s) started
T01 << 1462362523.44563293 Potential matrix (206.02236s) stopped
T01 >> 1462362523.44570208 DistributedAtomicCorrection (1054.77470s) started
T01 << 1462362524.82199001 DistributedAtomicCorrection (1056.15099s) stopped
T01 >> 1462362524.82203794 Distribute overlap matrix (927.78337s) started
T01 >> 1462362524.82206011 blocked summation (880.26617s) started
T01 << 1462362525.93114996 blocked summation (881.37526s) stopped
T01 >> 1462362525.93280506 Scalapack redistribute (46.23324s) started
T01 << 1462362525.99295306 Scalapack redistribute (46.29339s) stopped
T01 << 1462362525.99303198 Distribute overlap matrix (928.95436s) stopped
T01 >> 1462362525.99362993 Blacs Orbital Layouts (2172.85227s) started
T01 >> 1462362525.99507904 General diagonalize (2129.02627s) started
T01 << 1462362528.71750212 General diagonalize (2131.74869s) stopped
T01 >> 1462362528.71756697 Redistribute coefs (2.42587s) started
T01 << 1462362528.72126007 Redistribute coefs (2.42957s) stopped
T01 >> 1462362528.72130704 Send coefs to domains (40.11229s) started
T01 << 1462362528.77318406 Send coefs to domains (40.16417s) stopped
T01 << 1462362528.77350593 Blacs Orbital Layouts (2175.63214s) stopped
T01 >> 1462362528.77356100 Calculate projections (1968.90804s) started
T01 << 1462362531.21203995 Calculate projections (1971.34652s) stopped
T01 << 1462362531.21231508 LCAO eigensolver (6338.79050s) stopped
T01 >> 1462362531.21319604 Density (1561.71804s) started
T01 >> 1462362531.21320891 Pseudo density (1293.02768s) started
T01 >> 1462362531.21366405 Calculate density matrix (1161.69698s) started
T01 << 1462362532.83322906 Calculate density matrix (1163.31654s) stopped
T01 >> 1462362532.83331609 Construct density (129.45396s) started
T01 << 1462362533.01854205 Construct density (129.63919s) stopped
T01 >> 1462362533.02012706 Symmetrize density (0.03257s) started
T01 << 1462362533.02016091 Symmetrize density (0.03260s) stopped
T01 << 1462362533.02059197 Pseudo density (1294.83507s) stopped
T01 >> 1462362533.02061200 Atomic density matrices (178.43634s) started
T01 << 1462362533.26653194 Atomic density matrices (178.68226s) stopped
T01 >> 1462362533.26656795 Multipole moments (2.93285s) started
T01 << 1462362533.27084088 Multipole moments (2.93712s) stopped
T01 >> 1462362533.27086306 Normalize (0.80304s) started
T01 << 1462362533.27194190 Normalize (0.80412s) stopped
T01 >> 1462362533.27197909 Mix (86.46796s) started
T01 << 1462362533.39544296 Mix (86.59143s) stopped
T01 << 1462362533.39554000 Density (1563.90038s) stopped
T01 >> 1462362533.39563203 Hamiltonian (17530.93532s) started
T01 >> 1462362533.39565706 vbar (10.63543s) started
T01 << 1462362533.40990496 vbar (10.64968s) stopped
T01 >> 1462362533.40997005 XC 3D grid (7597.20279s) started
T01 >> 1462362533.58262396 van der Waals (7334.27004s) started
T01 >> 1462362533.62403798 semilocal (1644.47899s) started
T01 << 1462362535.85609698 semilocal (1646.71104s) stopped
T01 >> 1462362535.88633609 redistribute (790.33949s) started
T01 << 1462362536.26829600 redistribute (790.72145s) stopped
T01 >> 1462362536.26836300 libvdwxc nonlocal (4843.79255s) started
T01 << 1462362542.95946002 libvdwxc nonlocal (4850.48365s) stopped
T01 >> 1462362542.95953012 redistribute (790.72148s) started
T01 << 1462362543.61129189 redistribute (791.37324s) stopped
T01 << 1462362543.61239505 van der Waals (7344.29981s) stopped
T01 << 1462362543.79444909 XC 3D grid (7607.58727s) stopped
T01 >> 1462362543.79449892 Poisson (1522.96481s) started
T01 << 1462362545.58214498 Poisson (1524.75245s) stopped
T01 >> 1462362545.58222008 Hartree integrate/restrict (60.25327s) started
T01 << 1462362545.60097504 Hartree integrate/restrict (60.27203s) stopped
T01 >> 1462362545.60102701 Hartree integrate/restrict (60.27206s) started
T01 << 1462362545.66312790 Hartree integrate/restrict (60.33416s) stopped
T01 >> 1462362545.68094206 Atomic (4660.59195s) started
T01 >> 1462362545.69127297 XC Correction (4650.95139s) started
T01 << 1462362551.97990799 XC Correction (4657.24002s) stopped
T01 << 1462362551.98290205 Atomic (4666.89391s) stopped
T01 >> 1462362551.98300099 Communicate (3663.66609s) started
T01 << 1462362556.69246101 Communicate (3668.37555s) stopped
T01 << 1462362556.69248390 Hamiltonian (17554.23217s) stopped
T01 >> 1462362556.69254994 LCAO eigensolver (6338.79051s) started
T01 >> 1462362556.69256210 Potential matrix (206.02239s) started
T01 << 1462362556.96560907 Potential matrix (206.29544s) stopped
T01 >> 1462362556.96567893 DistributedAtomicCorrection (1056.15101s) started
T01 << 1462362558.35038996 DistributedAtomicCorrection (1057.53572s) stopped
T01 >> 1462362558.35043812 Distribute overlap matrix (928.95437s) started
T01 >> 1462362558.35045910 blocked summation (881.37530s) started
T01 << 1462362559.45750308 blocked summation (882.48234s) stopped
T01 >> 1462362559.45923305 Scalapack redistribute (46.29342s) started
T01 << 1462362559.51803708 Scalapack redistribute (46.35223s) stopped
T01 << 1462362559.51811504 Distribute overlap matrix (930.12205s) stopped
T01 >> 1462362559.51870704 Blacs Orbital Layouts (2175.63216s) started
T01 >> 1462362559.52021694 General diagonalize (2131.74873s) started
T01 << 1462362562.23159909 General diagonalize (2134.46011s) stopped
T01 >> 1462362562.23166704 Redistribute coefs (2.42960s) started
T01 << 1462362562.23445511 Redistribute coefs (2.43239s) stopped
T01 >> 1462362562.23454094 Send coefs to domains (40.16421s) started
T01 << 1462362562.28752089 Send coefs to domains (40.21719s) stopped
T01 << 1462362562.28786302 Blacs Orbital Layouts (2178.40131s) stopped
T01 >> 1462362562.28791595 Calculate projections (1971.34658s) started
T01 << 1462362564.72640395 Calculate projections (1973.78507s) stopped
T01 << 1462362564.72668099 LCAO eigensolver (6346.82465s) stopped
T01 >> 1462362564.72740602 Density (1563.90040s) started
T01 >> 1462362564.72741890 Pseudo density (1294.83508s) started
T01 >> 1462362564.72787404 Calculate density matrix (1163.31658s) started
T01 << 1462362566.34896207 Calculate density matrix (1164.93767s) stopped
T01 >> 1462362566.34904504 Construct density (129.63921s) started
T01 << 1462362566.53353095 Construct density (129.82370s) stopped
T01 >> 1462362566.53496695 Symmetrize density (0.03261s) started
T01 << 1462362566.53500104 Symmetrize density (0.03265s) stopped
T01 << 1462362566.53543305 Pseudo density (1296.64309s) stopped
T01 >> 1462362566.53545308 Atomic density matrices (178.68228s) started
T01 << 1462362566.78225303 Atomic density matrices (178.92908s) stopped
T01 >> 1462362566.78228998 Multipole moments (2.93714s) started
T01 << 1462362566.78656197 Multipole moments (2.94141s) stopped
T01 >> 1462362566.78658390 Normalize (0.80415s) started
T01 << 1462362566.78765702 Normalize (0.80522s) stopped
T01 >> 1462362566.78769302 Mix (86.59152s) started
T01 << 1462362566.91055894 Mix (86.71439s) stopped
T01 << 1462362566.91068411 Density (1566.08368s) stopped
T01 >> 1462362566.91080689 Hamiltonian (17554.23219s) started
T01 >> 1462362566.91082597 vbar (10.64971s) started
T01 << 1462362566.92540193 vbar (10.66429s) stopped
T01 >> 1462362566.92547894 XC 3D grid (7607.58731s) started
T01 >> 1462362567.10223508 van der Waals (7344.29986s) started
T01 >> 1462362567.14417696 semilocal (1646.71110s) started
T01 << 1462362569.35523391 semilocal (1648.92216s) stopped
T01 >> 1462362569.38651609 redistribute (791.37330s) started
T01 << 1462362569.79411602 redistribute (791.78090s) stopped
T01 >> 1462362569.79418492 libvdwxc nonlocal (4850.48369s) started
T01 << 1462362576.50280094 libvdwxc nonlocal (4857.19231s) stopped
T01 >> 1462362576.50288200 redistribute (791.78093s) started
T01 << 1462362577.15089989 redistribute (792.42895s) stopped
T01 << 1462362577.15211892 van der Waals (7354.34974s) stopped
T01 << 1462362577.33324194 XC 3D grid (7617.99507s) stopped
T01 >> 1462362577.33328795 Poisson (1524.75251s) started
T01 << 1462362579.11904812 Poisson (1526.53827s) stopped
T01 >> 1462362579.11912298 Hartree integrate/restrict (60.33420s) started
T01 << 1462362579.13799596 Hartree integrate/restrict (60.35307s) stopped
T01 >> 1462362579.13804603 Hartree integrate/restrict (60.35310s) started
T01 << 1462362579.19929504 Hartree integrate/restrict (60.41435s) stopped
T01 >> 1462362579.22287202 Atomic (4666.89392s) started
T01 >> 1462362579.23321605 XC Correction (4657.24005s) started
T01 << 1462362585.53949499 XC Correction (4663.54633s) stopped
T01 << 1462362585.54249597 Atomic (4673.21355s) stopped
T01 >> 1462362585.54259896 Communicate (3668.37556s) started
T01 << 1462362590.12210608 Communicate (3672.95507s) stopped
T01 << 1462362590.12212896 Hamiltonian (17577.44351s) stopped
T01 >> 1462362590.12219191 LCAO eigensolver (6346.82466s) started
T01 >> 1462362590.12220502 Potential matrix (206.29547s) started
T01 << 1462362590.39431596 Potential matrix (206.56758s) stopped
T01 >> 1462362590.39438200 DistributedAtomicCorrection (1057.53575s) started
T01 << 1462362591.77408004 DistributedAtomicCorrection (1058.91545s) stopped
T01 >> 1462362591.77412796 Distribute overlap matrix (930.12206s) started
T01 >> 1462362591.77414894 blocked summation (882.48238s) started
T01 << 1462362592.90245390 blocked summation (883.61068s) stopped
T01 >> 1462362592.90445089 Scalapack redistribute (46.35226s) started
T01 << 1462362592.96353006 Scalapack redistribute (46.41134s) stopped
T01 << 1462362592.96360993 Distribute overlap matrix (931.31154s) stopped
T01 >> 1462362592.96420908 Blacs Orbital Layouts (2178.40133s) started
T01 >> 1462362592.96555710 General diagonalize (2134.46015s) started
T01 << 1462362595.65091896 General diagonalize (2137.14551s) stopped
T01 >> 1462362595.65098500 Redistribute coefs (2.43243s) started
T01 << 1462362595.65370607 Redistribute coefs (2.43515s) stopped
T01 >> 1462362595.65379310 Send coefs to domains (40.21724s) started
T01 << 1462362595.70636892 Send coefs to domains (40.26981s) stopped
T01 << 1462362595.70672894 Blacs Orbital Layouts (2181.14385s) stopped
T01 >> 1462362595.70678902 Calculate projections (1973.78513s) started
T01 << 1462362598.14552307 Calculate projections (1976.22386s) stopped
T01 << 1462362598.14580393 LCAO eigensolver (6354.84828s) stopped
T01 >> 1462362598.14651704 Density (1566.08370s) started
T01 >> 1462362598.14652991 Pseudo density (1296.64311s) started
T01 >> 1462362598.14698005 Calculate density matrix (1164.93771s) started
T01 << 1462362599.75995803 Calculate density matrix (1166.55069s) stopped
T01 >> 1462362599.76004100 Construct density (129.82373s) started
T01 << 1462362599.94490004 Construct density (130.00859s) stopped
T01 >> 1462362599.94630790 Symmetrize density (0.03266s) started
T01 << 1462362599.94634199 Symmetrize density (0.03269s) stopped
T01 << 1462362599.94678497 Pseudo density (1298.44336s) stopped
T01 >> 1462362599.94680405 Atomic density matrices (178.92911s) started
T01 << 1462362600.19423604 Atomic density matrices (179.17654s) stopped
T01 >> 1462362600.19427299 Multipole moments (2.94143s) started
T01 << 1462362600.19857311 Multipole moments (2.94573s) stopped
T01 >> 1462362600.19859505 Normalize (0.80525s) started
T01 << 1462362600.19967008 Normalize (0.80632s) stopped
T01 >> 1462362600.19970703 Mix (86.71451s) started
T01 << 1462362600.32229996 Mix (86.83710s) stopped
T01 << 1462362600.32242799 Density (1568.25961s) stopped
T01 >> 1462362600.32254410 Hamiltonian (17577.44352s) started
T01 >> 1462362600.32256603 vbar (10.66433s) started
T01 << 1462362600.33718395 vbar (10.67895s) stopped
T01 >> 1462362600.33725095 XC 3D grid (7617.99511s) started
T01 >> 1462362600.51054311 van der Waals (7354.34978s) started
T01 >> 1462362600.55295110 semilocal (1648.92228s) started
T01 << 1462362602.76945496 semilocal (1651.13878s) stopped
T01 >> 1462362602.80064011 redistribute (792.42899s) started
T01 << 1462362603.18561792 redistribute (792.81397s) stopped
T01 >> 1462362603.18568993 libvdwxc nonlocal (4857.19236s) started
T01 << 1462362609.85966992 libvdwxc nonlocal (4863.86634s) stopped
T01 >> 1462362609.85975909 redistribute (792.81401s) started
T01 << 1462362610.52875400 redistribute (793.48301s) stopped
T01 << 1462362610.53055310 van der Waals (7364.36979s) stopped
T01 << 1462362610.70158005 XC 3D grid (7628.35944s) stopped
T01 >> 1462362610.70163202 Poisson (1526.53832s) started
T01 << 1462362612.48584604 Poisson (1528.32254s) stopped
T01 >> 1462362612.48597598 Hartree integrate/restrict (60.41439s) started
T01 << 1462362612.50500298 Hartree integrate/restrict (60.43342s) stopped
T01 >> 1462362612.50505304 Hartree integrate/restrict (60.43345s) started
T01 << 1462362612.56823397 Hartree integrate/restrict (60.49663s) stopped
T01 >> 1462362612.58582807 Atomic (4673.21356s) started
T01 >> 1462362612.59613204 XC Correction (4663.54635s) started
T01 << 1462362618.85488009 XC Correction (4669.80510s) stopped
T01 << 1462362618.85787892 Atomic (4679.48561s) stopped
T01 >> 1462362618.85797596 Communicate (3672.95508s) started
T01 << 1462362623.48058605 Communicate (3677.57769s) stopped
T01 << 1462362623.48060799 Hamiltonian (17600.60159s) stopped
T01 >> 1462362623.48067498 LCAO eigensolver (6354.84830s) started
T01 >> 1462362623.48068810 Potential matrix (206.56761s) started
T01 << 1462362623.75256896 Potential matrix (206.83949s) stopped
T01 >> 1462362623.75263405 DistributedAtomicCorrection (1058.91548s) started
T01 << 1462362625.13502002 DistributedAtomicCorrection (1060.29786s) stopped
T01 >> 1462362625.13506794 Distribute overlap matrix (931.31155s) started
T01 >> 1462362625.13509011 blocked summation (883.61072s) started
T01 << 1462362626.25697708 blocked summation (884.73261s) stopped
T01 >> 1462362626.25923204 Scalapack redistribute (46.41138s) started
T01 << 1462362626.31807899 Scalapack redistribute (46.47022s) stopped
T01 << 1462362626.31815910 Distribute overlap matrix (932.49465s) stopped
T01 >> 1462362626.31876993 Blacs Orbital Layouts (2181.14387s) started
T01 >> 1462362626.32011294 General diagonalize (2137.14555s) started
T01 << 1462362629.05293894 General diagonalize (2139.87838s) stopped
T01 >> 1462362629.05300498 Redistribute coefs (2.43519s) started
T01 << 1462362629.05603290 Redistribute coefs (2.43821s) stopped
T01 >> 1462362629.05608010 Send coefs to domains (40.26986s) started
T01 << 1462362629.10840607 Send coefs to domains (40.32218s) stopped
T01 << 1462362629.10875511 Blacs Orbital Layouts (2183.93386s) stopped
T01 >> 1462362629.10880709 Calculate projections (1976.22392s) started
T01 << 1462362631.54756093 Calculate projections (1978.66267s) stopped
T01 << 1462362631.54800010 LCAO eigensolver (6362.91562s) stopped
T01 >> 1462362631.54872203 Density (1568.25963s) started
T01 >> 1462362631.54873490 Pseudo density (1298.44338s) started
T01 >> 1462362631.54917693 Calculate density matrix (1166.55073s) started
T01 << 1462362633.16696501 Calculate density matrix (1168.16852s) stopped
T01 >> 1462362633.16705108 Construct density (130.00861s) started
T01 << 1462362633.35140395 Construct density (130.19296s) stopped
T01 >> 1462362633.35370398 Symmetrize density (0.03271s) started
T01 << 1462362633.35373712 Symmetrize density (0.03274s) stopped
T01 << 1462362633.35417199 Pseudo density (1300.24881s) stopped
T01 >> 1462362633.35419106 Atomic density matrices (179.17656s) started
T01 << 1462362633.60101700 Atomic density matrices (179.42339s) stopped
T01 >> 1462362633.60105395 Multipole moments (2.94574s) started
T01 << 1462362633.60536695 Multipole moments (2.95005s) stopped
T01 >> 1462362633.60538912 Normalize (0.80635s) started
T01 << 1462362633.60646701 Normalize (0.80743s) stopped
T01 >> 1462362633.60650396 Mix (86.83722s) started
T01 << 1462362633.72835803 Mix (86.95908s) stopped
T01 << 1462362633.72848392 Density (1570.43939s) stopped
T01 >> 1462362633.72859001 Hamiltonian (17600.60160s) started
T01 >> 1462362633.72861004 vbar (10.67899s) started
T01 << 1462362633.74313807 vbar (10.69352s) stopped
T01 >> 1462362633.74321294 XC 3D grid (7628.35947s) started
T01 >> 1462362633.91847491 van der Waals (7364.36991s) started
T01 >> 1462362633.96038795 semilocal (1651.13885s) started
T01 << 1462362636.17745996 semilocal (1653.35592s) stopped
T01 >> 1462362636.20827389 redistribute (793.48315s) started
T01 << 1462362636.59457588 redistribute (793.86945s) stopped
T01 >> 1462362636.59464788 libvdwxc nonlocal (4863.86640s) started
T01 << 1462362643.28117990 libvdwxc nonlocal (4870.55293s) stopped
T01 >> 1462362643.28126192 redistribute (793.86949s) started
T01 << 1462362643.95378304 redistribute (794.54201s) stopped
T01 << 1462362643.95525503 van der Waals (7374.40669s) stopped
T01 << 1462362644.12596893 XC 3D grid (7638.74223s) stopped
T01 >> 1462362644.12601495 Poisson (1528.32265s) started
T01 << 1462362645.91239595 Poisson (1530.10903s) stopped
T01 >> 1462362645.91248202 Hartree integrate/restrict (60.49667s) started
T01 << 1462362645.93128204 Hartree integrate/restrict (60.51547s) stopped
T01 >> 1462362645.93133497 Hartree integrate/restrict (60.51551s) started
T01 << 1462362645.99301291 Hartree integrate/restrict (60.57718s) stopped
T01 >> 1462362646.01561594 Atomic (4679.48563s) started
T01 >> 1462362646.02599812 XC Correction (4669.80512s) started
T01 << 1462362652.28335309 XC Correction (4676.06248s) stopped
T01 << 1462362652.28637409 Atomic (4685.75639s) stopped
T01 >> 1462362652.28647900 Communicate (3677.57771s) started
T01 << 1462362656.92369604 Communicate (3682.21492s) stopped
T01 << 1462362656.92371893 Hamiltonian (17623.79673s) stopped
T01 >> 1462362656.92378402 LCAO eigensolver (6362.91564s) started
T01 >> 1462362656.92379689 Potential matrix (206.83953s) started
T01 << 1462362657.19561911 Potential matrix (207.11135s) stopped
T01 >> 1462362657.19569111 DistributedAtomicCorrection (1060.29789s) started
T01 << 1462362658.58228207 DistributedAtomicCorrection (1061.68448s) stopped
T01 >> 1462362658.58232999 Distribute overlap matrix (932.49466s) started
T01 >> 1462362658.58235002 blocked summation (884.73265s) started
T01 << 1462362659.70304608 blocked summation (885.85334s) stopped
T01 >> 1462362659.70530605 Scalapack redistribute (46.47026s) started
T01 << 1462362659.76270509 Scalapack redistribute (46.52766s) stopped
T01 << 1462362659.76278591 Distribute overlap matrix (933.67511s) stopped
T01 >> 1462362659.76337695 Blacs Orbital Layouts (2183.93388s) started
T01 >> 1462362659.76472902 General diagonalize (2139.87841s) started
T01 << 1462362662.48314810 General diagonalize (2142.59683s) stopped
T01 >> 1462362662.48321390 Redistribute coefs (2.43825s) started
T01 << 1462362662.48628092 Redistribute coefs (2.44132s) stopped
T01 >> 1462362662.48632908 Send coefs to domains (40.32222s) started
T01 << 1462362662.53917193 Send coefs to domains (40.37507s) stopped
T01 << 1462362662.53951406 Blacs Orbital Layouts (2186.71001s) stopped
T01 >> 1462362662.53957295 Calculate projections (1978.66273s) started
T01 << 1462362664.97804999 Calculate projections (1981.10121s) stopped
T01 << 1462362664.97848296 LCAO eigensolver (6370.97034s) stopped
T01 >> 1462362664.97919607 Density (1570.43942s) started
T01 >> 1462362664.97920990 Pseudo density (1300.24883s) started
T01 >> 1462362664.97965598 Calculate density matrix (1168.16857s) started
T01 << 1462362666.59833097 Calculate density matrix (1169.78724s) stopped
T01 >> 1462362666.59841800 Construct density (130.19299s) started
T01 << 1462362666.78286290 Construct density (130.37744s) stopped
T01 >> 1462362666.78516006 Symmetrize density (0.03275s) started
T01 << 1462362666.78519297 Symmetrize density (0.03278s) stopped
T01 << 1462362666.78562999 Pseudo density (1302.05525s) stopped
T01 >> 1462362666.78565311 Atomic density matrices (179.42341s) started
T01 << 1462362667.03235412 Atomic density matrices (179.67011s) stopped
T01 >> 1462362667.03239107 Multipole moments (2.95007s) started
T01 << 1462362667.03668594 Multipole moments (2.95436s) stopped
T01 >> 1462362667.03670812 Normalize (0.80745s) started
T01 << 1462362667.03778291 Normalize (0.80853s) stopped
T01 >> 1462362667.03781891 Mix (86.95920s) started
T01 << 1462362667.15967894 Mix (87.08106s) stopped
T01 << 1462362667.15979505 Density (1572.62002s) stopped
T01 >> 1462362667.15990090 Hamiltonian (17623.79674s) started
T01 >> 1462362667.15992308 vbar (10.69356s) started
T01 << 1462362667.17427802 vbar (10.70792s) stopped
T01 >> 1462362667.17435288 XC 3D grid (7638.74226s) started
T01 >> 1462362667.35330510 van der Waals (7374.40675s) started
T01 >> 1462362667.39504194 semilocal (1653.35599s) started
T01 << 1462362669.61254597 semilocal (1655.57350s) stopped
T01 >> 1462362669.64299798 redistribute (794.54209s) started
T01 << 1462362670.03960490 redistribute (794.93870s) stopped
T01 >> 1462362670.03967690 libvdwxc nonlocal (4870.55298s) started
T01 << 1462362676.71426296 libvdwxc nonlocal (4877.22757s) stopped
T01 >> 1462362676.71432590 redistribute (794.93874s) started
T01 << 1462362677.37820411 redistribute (795.60261s) stopped
T01 << 1462362677.37949705 van der Waals (7384.43294s) stopped
T01 << 1462362677.55135798 XC 3D grid (7649.11927s) stopped
T01 >> 1462362677.55140710 Poisson (1530.10909s) started
T01 << 1462362678.75697708 Poisson (1531.31466s) stopped
T01 >> 1462362678.75704288 Hartree integrate/restrict (60.57722s) started
T01 << 1462362678.77604508 Hartree integrate/restrict (60.59622s) stopped
T01 >> 1462362678.77615190 Hartree integrate/restrict (60.59630s) started
T01 << 1462362678.83873892 Hartree integrate/restrict (60.65889s) stopped
T01 >> 1462362678.86072898 Atomic (4685.75641s) started
T01 >> 1462362678.87118602 XC Correction (4676.06250s) started
T01 << 1462362685.14975095 XC Correction (4682.34107s) stopped
T01 << 1462362685.15278292 Atomic (4692.04846s) stopped
T01 >> 1462362685.15288305 Communicate (3682.21494s) started
T01 << 1462362689.79089403 Communicate (3686.85295s) stopped
T01 << 1462362689.79091597 Hamiltonian (17646.42776s) stopped
T01 >> 1462362689.79098010 LCAO eigensolver (6370.97036s) started
T01 >> 1462362689.79099298 Potential matrix (207.11139s) started
T01 << 1462362690.06537890 Potential matrix (207.38577s) stopped
T01 >> 1462362690.06544495 DistributedAtomicCorrection (1061.68451s) started
T01 << 1462362691.46275496 DistributedAtomicCorrection (1063.08182s) stopped
T01 >> 1462362691.46280289 Distribute overlap matrix (933.67513s) started
T01 >> 1462362691.46282291 blocked summation (885.85338s) started
T01 << 1462362692.58329797 blocked summation (886.97385s) stopped
T01 >> 1462362692.58497500 Scalapack redistribute (46.52770s) started
T01 << 1462362692.64394999 Scalapack redistribute (46.58667s) stopped
T01 << 1462362692.64402795 Distribute overlap matrix (934.85635s) stopped
T01 >> 1462362692.64461803 Blacs Orbital Layouts (2186.71003s) started
T01 >> 1462362692.64626503 General diagonalize (2142.59687s) started
T01 << 1462362695.35915399 General diagonalize (2145.30976s) stopped
T01 >> 1462362695.35922003 Redistribute coefs (2.44136s) started
T01 << 1462362695.36283112 Redistribute coefs (2.44497s) stopped
T01 >> 1462362695.36287808 Send coefs to domains (40.37511s) started
T01 << 1462362695.41487908 Send coefs to domains (40.42711s) stopped
T01 << 1462362695.41520190 Blacs Orbital Layouts (2189.48062s) stopped
T01 >> 1462362695.41525602 Calculate projections (1981.10126s) started
T01 << 1462362697.85389400 Calculate projections (1983.53990s) stopped
T01 << 1462362697.85416889 LCAO eigensolver (6379.03355s) stopped
T01 << 1462362697.85489988 SCF-cycle (25598.74659s) stopped
T01 >> 1462362698.78084207 Force calculation (1529.45961s) started
T01 >> 1462362698.78090310 LCAO forces (946.22241s) started
T01 >> 1462362698.78125596 Initial (0.00112s) started
T01 << 1462362698.78126693 Initial (0.00113s) stopped
T01 >> 1462362698.78565192 Get density matrix (185.09487s) started
T01 << 1462362699.38723493 Get density matrix (185.69645s) stopped
T01 >> 1462362699.38730311 Potential (68.17363s) started
T01 << 1462362700.84939599 Potential (69.63572s) stopped
T01 >> 1462362700.84945107 Get density matrix (185.69649s) started
T01 << 1462362704.11899805 Get density matrix (188.96603s) stopped
T01 >> 1462362704.11913610 Prepare TCI loop (92.09921s) started
T01 >> 1462362704.11962509 Get neighbors (86.95262s) started
T01 << 1462362705.97277999 Get neighbors (88.80577s) stopped
T01 >> 1462362705.97300291 broadcast dH (5.11214s) started
T01 << 1462362705.98339009 broadcast dH (5.12253s) stopped
T01 << 1462362705.98343492 Prepare TCI loop (93.96350s) stopped
T01 >> 1462362705.98345304 Not so complicated loop (132.63843s) started
T01 << 1462362708.71420503 Not so complicated loop (135.36918s) stopped
T01 >> 1462362708.84637094 Complicated loop (461.39613s) started
T01 << 1462362718.56352592 Complicated loop (471.11329s) stopped
T01 >> 1462362718.57894397 Wait for sum (0.00278s) started
T01 << 1462362718.57898998 Wait for sum (0.00282s) stopped
T01 << 1462362718.57900310 LCAO forces (966.02051s) stopped
T01 << 1462362731.14299512 Force calculation (1561.82176s) stopped
T01 >> 1462362731.16120195 Initialization (2509.57335s) started
T01 << 1462362731.16140199 Initialization (2509.57355s) stopped
T01 >> 1462362731.16166496 Initialization (2509.57357s) started
T01 << 1462362731.16179991 Initialization (2509.57370s) stopped
T01 >> 1462362731.16194105 Initialization (2509.57372s) started
T01 << 1462362731.16207790 Initialization (2509.57386s) stopped
T01 >> 1462362751.50322199 Initialization (2509.57388s) started
T01 >> 1462362751.54233909 Basic WFS set positions (4.87567s) started
T01 >> 1462362751.54236507 Redistribute (0.09678s) started
T01 << 1462362751.54251409 Redistribute (0.09693s) stopped
T01 << 1462362751.63732505 Basic WFS set positions (4.97066s) stopped
T01 >> 1462362751.63735604 Basis functions set positions (20.67448s) started
T01 << 1462362752.05786800 Basis functions set positions (21.09499s) stopped
T01 >> 1462362752.05931711 TCI: Calculate S, T, P (752.83375s) started
T01 << 1462362767.34916592 TCI: Calculate S, T, P (768.12360s) stopped
T01 >> 1462362767.34925699 blocked summation (202.02724s) started
T01 << 1462362771.46082807 blocked summation (206.13881s) stopped
T01 >> 1462362771.46304393 Scalapack redistribute (12.14920s) started
T01 << 1462362771.51884294 Scalapack redistribute (12.20500s) stopped
T01 >> 1462362771.51928306 blocked summation (206.13886s) started
T01 << 1462362771.68272495 blocked summation (206.30230s) stopped
T01 >> 1462362771.68449903 Scalapack redistribute (12.20506s) started
T01 << 1462362771.88754892 Scalapack redistribute (12.40811s) stopped
T01 >> 1462362771.88869405 Redistribute (0.10034s) started
T01 << 1462362771.88964605 Redistribute (0.10129s) stopped
T01 >> 1462362772.81518006 Redistribute (0.10131s) started
T01 << 1462362772.81613111 Redistribute (0.10226s) stopped
T01 >> 1462362772.82672095 LCAO WFS Initialize (1464.92108s) started
T01 >> 1462362772.82675195 Density initialize from wavefunctions (59.85730s) started
T01 >> 1462362772.82722211 Calculate density matrix (34.54688s) started
T01 << 1462362773.53524399 Calculate density matrix (35.25491s) stopped
T01 >> 1462362773.53531003 Construct density (8.64910s) started
T01 << 1462362773.71940303 Construct density (8.83320s) stopped
T01 >> 1462362773.72095490 Symmetrize density (0.00213s) started
T01 << 1462362773.72098589 Symmetrize density (0.00216s) stopped
T01 << 1462362774.06820989 Density initialize from wavefunctions (61.09876s) stopped
T01 >> 1462362774.06884408 Hamiltonian (1404.83990s) started
T01 >> 1462362774.06887889 vbar (0.73831s) started
T01 << 1462362774.08318996 vbar (0.75262s) stopped
T01 >> 1462362774.08325696 XC 3D grid (515.11395s) started
T01 >> 1462362774.26106691 van der Waals (497.26206s) started
T01 >> 1462362774.30349398 semilocal (110.87901s) started
T01 << 1462362776.53296494 semilocal (113.10848s) stopped
T01 >> 1462362776.56473398 redistribute (52.94609s) started
T01 << 1462362776.94163990 redistribute (53.32300s) stopped
T01 >> 1462362776.94169307 libvdwxc nonlocal (329.66773s) started
T01 << 1462362783.64432192 libvdwxc nonlocal (336.37036s) stopped
T01 >> 1462362783.64438891 redistribute (53.32304s) started
T01 << 1462362784.29354095 redistribute (53.97219s) stopped
T01 << 1462362784.29474998 van der Waals (507.29574s) stopped
T01 << 1462362784.47617197 XC 3D grid (525.50687s) stopped
T01 >> 1462362784.47622108 Poisson (234.77858s) started
T01 << 1462362788.62680411 Poisson (238.92916s) stopped
T01 >> 1462362788.62688303 Hartree integrate/restrict (4.05322s) started
T01 << 1462362788.64593911 Hartree integrate/restrict (4.07228s) stopped
T01 >> 1462362788.64602089 Hartree integrate/restrict (4.07234s) started
T01 << 1462362788.71209407 Hartree integrate/restrict (4.13841s) stopped
T01 >> 1462362788.73196197 Atomic (330.18067s) started
T01 >> 1462362788.74238610 XC Correction (329.51273s) started
T01 << 1462362795.28660202 XC Correction (336.05695s) stopped
T01 << 1462362795.28962994 Atomic (336.73834s) stopped
T01 >> 1462362795.28985310 Communicate (318.89425s) started
T01 << 1462362801.75044990 Communicate (325.35485s) stopped
T01 << 1462362801.75047207 Hamiltonian (1432.52153s) stopped
T01 << 1462362801.75052595 LCAO WFS Initialize (1493.84489s) stopped
T01 << 1462362801.76260805 Initialization (2559.83326s) stopped
T01 >> 1462362801.78751206 SCF-cycle (25598.74661s) started
T01 >> 1462362801.78755093 LCAO eigensolver (6379.03356s) started
T01 >> 1462362801.78756309 Potential matrix (207.38581s) started
T01 << 1462362802.06052208 Potential matrix (207.65877s) stopped
T01 >> 1462362802.06059098 DistributedAtomicCorrection (1063.08185s) started
T01 << 1462362803.42750812 DistributedAtomicCorrection (1064.44877s) stopped
T01 >> 1462362803.42755699 Distribute overlap matrix (934.85636s) started
T01 >> 1462362803.42757702 blocked summation (886.97389s) started
T01 << 1462362804.56737399 blocked summation (888.11369s) stopped
T01 >> 1462362804.56890106 Scalapack redistribute (46.58671s) started
T01 << 1462362804.62884498 Scalapack redistribute (46.64665s) stopped
T01 << 1462362804.62892699 Distribute overlap matrix (936.05773s) stopped
T01 >> 1462362804.62956095 Blacs Orbital Layouts (2189.48064s) started
T01 >> 1462362804.63175988 General diagonalize (2145.30980s) started
T01 << 1462362807.32583809 General diagonalize (2148.00388s) stopped
T01 >> 1462362807.32588792 Redistribute coefs (2.44500s) started
T01 << 1462362807.32870603 Redistribute coefs (2.44782s) stopped
T01 >> 1462362807.32875204 Send coefs to domains (40.42715s) started
T01 << 1462362807.38128710 Send coefs to domains (40.47969s) stopped
T01 << 1462362807.38183498 Blacs Orbital Layouts (2192.23291s) stopped
T01 >> 1462362807.38187099 Calculate projections (1983.53996s) started
T01 << 1462362809.82037497 Calculate projections (1985.97846s) stopped
T01 << 1462362809.82045603 LCAO eigensolver (6387.06647s) stopped
T01 >> 1462362809.82110906 Density (1572.62004s) started
T01 >> 1462362809.82112098 Pseudo density (1302.05527s) started
T01 >> 1462362809.82162809 Calculate density matrix (1169.78728s) started
T01 << 1462362811.43387008 Calculate density matrix (1171.39953s) stopped
T01 >> 1462362811.43393493 Construct density (130.37746s) started
T01 << 1462362811.61834002 Construct density (130.56187s) stopped
T01 >> 1462362811.61969900 Symmetrize density (0.03279s) started
T01 << 1462362811.61973405 Symmetrize density (0.03283s) stopped
T01 << 1462362811.62018108 Pseudo density (1303.85433s) stopped
T01 >> 1462362811.62020111 Atomic density matrices (179.67014s) started
T01 << 1462362811.86571693 Atomic density matrices (179.91566s) stopped
T01 >> 1462362811.86575508 Multipole moments (2.95438s) started
T01 << 1462362811.87001705 Multipole moments (2.95864s) stopped
T01 >> 1462362811.87003803 Normalize (0.80855s) started
T01 << 1462362811.87121797 Normalize (0.80973s) stopped
T01 >> 1462362811.87125301 Mix (87.08117s) started
T01 << 1462362811.98011899 Mix (87.19003s) stopped
T01 << 1462362811.98021793 Density (1574.77914s) stopped
T01 >> 1462362811.98031998 Hamiltonian (17646.42777s) started
T01 >> 1462362811.98033905 vbar (10.70796s) started
T01 << 1462362811.99472189 vbar (10.72234s) stopped
T01 >> 1462362811.99478889 XC 3D grid (7649.11931s) started
T01 >> 1462362812.17455792 van der Waals (7384.43300s) started
T01 >> 1462362812.21558309 semilocal (1655.57366s) started
T01 << 1462362814.46072698 semilocal (1657.81880s) stopped
T01 >> 1462362814.49177289 redistribute (795.60266s) started
T01 << 1462362814.86524892 redistribute (795.97614s) stopped
T01 >> 1462362814.86529899 libvdwxc nonlocal (4877.22761s) started
T01 << 1462362821.57867789 libvdwxc nonlocal (4883.94099s) stopped
T01 >> 1462362821.57873201 redistribute (795.97618s) started
T01 << 1462362822.22736812 redistribute (796.62481s) stopped
T01 << 1462362822.22854090 van der Waals (7394.48698s) stopped
T01 << 1462362822.40845990 XC 3D grid (7659.53298s) stopped
T01 >> 1462362822.40851498 Poisson (1531.31471s) started
T01 << 1462362824.19854593 Poisson (1533.10474s) stopped
T01 >> 1462362824.19863796 Hartree integrate/restrict (60.65893s) started
T01 << 1462362824.21736598 Hartree integrate/restrict (60.67766s) stopped
T01 >> 1462362824.21751595 Hartree integrate/restrict (60.67777s) started
T01 << 1462362824.28518200 Hartree integrate/restrict (60.74543s) stopped
T01 >> 1462362824.30259609 Atomic (4692.04848s) started
T01 >> 1462362824.31261706 XC Correction (4682.34109s) started
T01 << 1462362830.88707209 XC Correction (4688.91554s) stopped
T01 << 1462362830.89001203 Atomic (4698.63589s) stopped
T01 >> 1462362830.89011502 Communicate (3686.85297s) started
T01 << 1462362836.79937911 Communicate (3692.76223s) stopped
T01 << 1462362836.79940200 Hamiltonian (17671.24685s) stopped
T01 >> 1462362836.79946399 LCAO eigensolver (6387.06648s) started
T01 >> 1462362836.79947710 Potential matrix (207.65880s) started
T01 << 1462362837.07295299 Potential matrix (207.93228s) stopped
T01 >> 1462362837.07301903 DistributedAtomicCorrection (1064.44879s) started
T01 << 1462362838.43913198 DistributedAtomicCorrection (1065.81491s) stopped
T01 >> 1462362838.43918109 Distribute overlap matrix (936.05775s) started
T01 >> 1462362838.43920207 blocked summation (888.11373s) started
T01 << 1462362839.59524798 blocked summation (889.26977s) stopped
T01 >> 1462362839.59682107 Scalapack redistribute (46.64669s) started
T01 << 1462362839.65530300 Scalapack redistribute (46.70517s) stopped
T01 << 1462362839.65538406 Distribute overlap matrix (937.27395s) stopped
T01 >> 1462362839.65600610 Blacs Orbital Layouts (2192.23293s) started
T01 >> 1462362839.65731692 General diagonalize (2148.00392s) started
T01 << 1462362842.35395694 General diagonalize (2150.70056s) stopped
T01 >> 1462362842.35402298 Redistribute coefs (2.44786s) started
T01 << 1462362842.35685301 Redistribute coefs (2.45069s) stopped
T01 >> 1462362842.35689998 Send coefs to domains (40.47973s) started
T01 << 1462362842.40921092 Send coefs to domains (40.53204s) stopped
T01 << 1462362842.40955591 Blacs Orbital Layouts (2194.98648s) stopped
T01 >> 1462362842.40961289 Calculate projections (1985.97852s) started
T01 << 1462362844.84802103 Calculate projections (1988.41693s) stopped
T01 << 1462362844.84810400 LCAO eigensolver (6395.11512s) stopped
T01 >> 1462362844.84875703 Density (1574.77916s) started
T01 >> 1462362844.84876990 Pseudo density (1303.85434s) started
T01 >> 1462362844.84928393 Calculate density matrix (1171.39957s) started
T01 << 1462362846.46513510 Calculate density matrix (1173.01542s) stopped
T01 >> 1462362846.46520305 Construct density (130.56190s) started
T01 << 1462362846.65053010 Construct density (130.74722s) stopped
T01 >> 1462362846.65190101 Symmetrize density (0.03284s) started
T01 << 1462362846.65193391 Symmetrize density (0.03287s) stopped
T01 << 1462362846.65238094 Pseudo density (1305.65795s) stopped
T01 >> 1462362846.65240002 Atomic density matrices (179.91568s) started
T01 << 1462362846.89835691 Atomic density matrices (180.16164s) stopped
T01 >> 1462362846.89839411 Multipole moments (2.95866s) started
T01 << 1462362846.90272999 Multipole moments (2.96299s) stopped
T01 >> 1462362846.90275192 Normalize (0.80976s) started
T01 << 1462362846.90393090 Normalize (0.81094s) stopped
T01 >> 1462362846.90396595 Mix (87.19013s) started
T01 << 1462362847.01585007 Mix (87.30201s) stopped
T01 << 1462362847.01596403 Density (1576.94637s) stopped
T01 >> 1462362847.01607108 Hamiltonian (17671.24687s) started
T01 >> 1462362847.01609111 vbar (10.72238s) started
T01 << 1462362847.03043890 vbar (10.73672s) stopped
T01 >> 1462362847.03051496 XC 3D grid (7659.53302s) started
T01 >> 1462362847.20877194 van der Waals (7394.48702s) started
T01 >> 1462362847.24938297 semilocal (1657.81889s) started
T01 << 1462362849.45878601 semilocal (1660.02830s) stopped
T01 >> 1462362849.49076104 redistribute (796.62486s) started
T01 << 1462362849.89181209 redistribute (797.02591s) stopped
T01 >> 1462362849.89190888 libvdwxc nonlocal (4883.94103s) started
T01 << 1462362856.59197307 libvdwxc nonlocal (4890.64109s) stopped
T01 >> 1462362856.59203696 redistribute (797.02597s) started
T01 << 1462362857.24837089 redistribute (797.68230s) stopped
T01 << 1462362857.24953508 van der Waals (7404.52779s) stopped
T01 << 1462362857.42743897 XC 3D grid (7669.92994s) stopped
T01 >> 1462362857.42748809 Poisson (1533.10482s) started
T01 << 1462362859.21944904 Poisson (1534.89678s) stopped
T01 >> 1462362859.21953106 Hartree integrate/restrict (60.74547s) started
T01 << 1462362859.23872900 Hartree integrate/restrict (60.76467s) stopped
T01 >> 1462362859.23877692 Hartree integrate/restrict (60.76470s) started
T01 << 1462362859.30483603 Hartree integrate/restrict (60.83076s) stopped
T01 >> 1462362859.32794690 Atomic (4698.63591s) started
T01 >> 1462362859.33796191 XC Correction (4688.91557s) started
T01 << 1462362865.55988598 XC Correction (4695.13749s) stopped
T01 << 1462362865.56287098 Atomic (4704.87084s) stopped
T01 >> 1462362865.56297302 Communicate (3692.76225s) started
T01 << 1462362871.33451700 Communicate (3698.53379s) stopped
T01 << 1462362871.33453989 Hamiltonian (17695.56534s) stopped
T01 >> 1462362871.33460093 LCAO eigensolver (6395.11514s) started
T01 >> 1462362871.33461499 Potential matrix (207.93231s) started
T01 << 1462362871.60710692 Potential matrix (208.20480s) stopped
T01 >> 1462362871.60717201 DistributedAtomicCorrection (1065.81493s) started
T01 << 1462362872.97567701 DistributedAtomicCorrection (1067.18344s) stopped
T01 >> 1462362872.97572494 Distribute overlap matrix (937.27396s) started
T01 >> 1462362872.97574711 blocked summation (889.26981s) started
T01 << 1462362874.11986709 blocked summation (890.41393s) stopped
T01 >> 1462362874.12141204 Scalapack redistribute (46.70521s) started
T01 << 1462362874.17899704 Scalapack redistribute (46.76279s) stopped
T01 << 1462362874.17907596 Distribute overlap matrix (938.47731s) stopped
T01 >> 1462362874.17968297 Blacs Orbital Layouts (2194.98650s) started
T01 >> 1462362874.18111396 General diagonalize (2150.70060s) started
T01 << 1462362876.87102294 General diagonalize (2153.39051s) stopped
T01 >> 1462362876.87108803 Redistribute coefs (2.45072s) started
T01 << 1462362876.87387705 Redistribute coefs (2.45351s) stopped
T01 >> 1462362876.87392306 Send coefs to domains (40.53209s) started
T01 << 1462362876.92655706 Send coefs to domains (40.58472s) stopped
T01 << 1462362876.92689300 Blacs Orbital Layouts (2197.73371s) stopped
T01 >> 1462362876.92694807 Calculate projections (1988.41698s) started
T01 << 1462362879.36534095 Calculate projections (1990.85538s) stopped
T01 << 1462362879.36542511 LCAO eigensolver (6403.14596s) stopped
T01 >> 1462362879.36616111 Density (1576.94639s) started
T01 >> 1462362879.36617398 Pseudo density (1305.65796s) started
T01 >> 1462362879.36669707 Calculate density matrix (1173.01546s) started
T01 << 1462362880.98527408 Calculate density matrix (1174.63404s) stopped
T01 >> 1462362880.98533797 Construct density (130.74725s) started
T01 << 1462362881.16981912 Construct density (130.93174s) stopped
T01 >> 1462362881.17119408 Symmetrize density (0.03288s) started
T01 << 1462362881.17122793 Symmetrize density (0.03292s) stopped
T01 << 1462362881.17168188 Pseudo density (1307.46347s) stopped
T01 >> 1462362881.17170095 Atomic density matrices (180.16166s) started
T01 << 1462362881.41920090 Atomic density matrices (180.40916s) stopped
T01 >> 1462362881.41923809 Multipole moments (2.96301s) started
T01 << 1462362881.42355800 Multipole moments (2.96733s) stopped
T01 >> 1462362881.42357993 Normalize (0.81096s) started
T01 << 1462362881.42475700 Normalize (0.81214s) stopped
T01 >> 1462362881.42479396 Mix (87.30212s) started
T01 << 1462362881.54108906 Mix (87.41842s) stopped
T01 << 1462362881.54120803 Density (1579.12144s) stopped
T01 >> 1462362881.54130793 Hamiltonian (17695.56535s) started
T01 >> 1462362881.54132700 vbar (10.73677s) started
T01 << 1462362881.55568695 vbar (10.75113s) stopped
T01 >> 1462362881.55576992 XC 3D grid (7669.92998s) started
T01 >> 1462362881.73334098 van der Waals (7404.52783s) started
T01 >> 1462362881.77573991 semilocal (1660.02839s) started
T01 << 1462362884.00086498 semilocal (1662.25351s) stopped
T01 >> 1462362884.03137994 redistribute (797.68235s) started
T01 << 1462362884.40949011 redistribute (798.06046s) stopped
T01 >> 1462362884.40955806 libvdwxc nonlocal (4890.64113s) started
T01 << 1462362891.09164000 libvdwxc nonlocal (4897.32321s) stopped
T01 >> 1462362891.09171200 redistribute (798.06050s) started
T01 << 1462362891.74717212 redistribute (798.71596s) stopped
T01 << 1462362891.74848509 van der Waals (7414.54297s) stopped
T01 << 1462362891.93112612 XC 3D grid (7680.30533s) stopped
T01 >> 1462362891.93117690 Poisson (1534.89684s) started
T01 << 1462362894.30582690 Poisson (1537.27149s) stopped
T01 >> 1462362894.30591798 Hartree integrate/restrict (60.83080s) started
T01 << 1462362894.32509303 Hartree integrate/restrict (60.84997s) stopped
T01 >> 1462362894.32518697 Hartree integrate/restrict (60.85004s) started
T01 << 1462362894.38552690 Hartree integrate/restrict (60.91038s) stopped
T01 >> 1462362894.41050410 Atomic (4704.87085s) started
T01 >> 1462362894.42053390 XC Correction (4695.13752s) started
T01 << 1462362900.66355896 XC Correction (4701.38054s) stopped
T01 << 1462362900.66652489 Atomic (4711.12687s) stopped
T01 >> 1462362900.66662908 Communicate (3698.53381s) started
T01 << 1462362905.68774009 Communicate (3703.55492s) stopped
T01 << 1462362905.68776298 Hamiltonian (17719.71180s) stopped
T01 >> 1462362905.68782711 LCAO eigensolver (6403.14597s) started
T01 >> 1462362905.68783998 Potential matrix (208.20484s) started
T01 << 1462362905.95953989 Potential matrix (208.47654s) stopped
T01 >> 1462362905.95960593 DistributedAtomicCorrection (1067.18347s) started
T01 << 1462362907.32209206 DistributedAtomicCorrection (1068.54595s) stopped
T01 >> 1462362907.32214093 Distribute overlap matrix (938.47732s) started
T01 >> 1462362907.32216311 blocked summation (890.41397s) started
T01 << 1462362908.47496295 blocked summation (891.56677s) stopped
T01 >> 1462362908.47654796 Scalapack redistribute (46.76283s) started
T01 << 1462362908.53556895 Scalapack redistribute (46.82185s) stopped
T01 << 1462362908.53565192 Distribute overlap matrix (939.69083s) stopped
T01 >> 1462362908.53628302 Blacs Orbital Layouts (2197.73373s) started
T01 >> 1462362908.53844595 General diagonalize (2153.39054s) started
T01 << 1462362911.23211193 General diagonalize (2156.08421s) stopped
T01 >> 1462362911.23217607 Redistribute coefs (2.45355s) started
T01 << 1462362911.23490000 Redistribute coefs (2.45627s) stopped
T01 >> 1462362911.23498106 Send coefs to domains (40.58476s) started
T01 << 1462362911.28814697 Send coefs to domains (40.63793s) stopped
T01 << 1462362911.28873205 Blacs Orbital Layouts (2200.48618s) stopped
T01 >> 1462362911.28878903 Calculate projections (1990.85543s) started
T01 << 1462362913.72705293 Calculate projections (1993.29370s) stopped
T01 << 1462362913.72713804 LCAO eigensolver (6411.18528s) stopped
T01 >> 1462362913.72789097 Density (1579.12146s) started
T01 >> 1462362913.72790408 Pseudo density (1307.46349s) started
T01 >> 1462362913.72842097 Calculate density matrix (1174.63408s) started
T01 << 1462362915.35326791 Calculate density matrix (1176.25893s) stopped
T01 >> 1462362915.35335112 Construct density (130.93176s) started
T01 << 1462362915.53779006 Construct density (131.11620s) stopped
T01 >> 1462362915.53915596 Symmetrize density (0.03293s) started
T01 << 1462362915.53918791 Symmetrize density (0.03296s) stopped
T01 << 1462362915.53963304 Pseudo density (1309.27522s) stopped
T01 >> 1462362915.53965592 Atomic density matrices (180.40919s) started
T01 << 1462362915.78545904 Atomic density matrices (180.65499s) stopped
T01 >> 1462362915.78549504 Multipole moments (2.96734s) started
T01 << 1462362915.78977489 Multipole moments (2.97162s) stopped
T01 >> 1462362915.78979802 Normalize (0.81216s) started
T01 << 1462362915.79098606 Normalize (0.81335s) stopped
T01 >> 1462362915.79102206 Mix (87.41853s) started
T01 << 1462362915.91125798 Mix (87.53877s) stopped
T01 << 1462362915.91145492 Density (1581.30502s) stopped
T01 >> 1462362915.91156507 Hamiltonian (17719.71182s) started
T01 >> 1462362915.91158700 vbar (10.75118s) started
T01 << 1462362915.92577600 vbar (10.76537s) stopped
T01 >> 1462362915.92584705 XC 3D grid (7680.30537s) started
T01 >> 1462362916.10232091 van der Waals (7414.54303s) started
T01 >> 1462362916.14523911 semilocal (1662.25360s) started
T01 << 1462362918.35624504 semilocal (1664.46460s) stopped
T01 >> 1462362918.38696504 redistribute (798.71600s) started
T01 << 1462362918.78103399 redistribute (799.11007s) stopped
T01 >> 1462362918.78110290 libvdwxc nonlocal (4897.32326s) started
T01 << 1462362925.46867609 libvdwxc nonlocal (4904.01083s) stopped
T01 >> 1462362925.46873689 redistribute (799.11011s) started
T01 << 1462362926.12660789 redistribute (799.76798s) stopped
T01 << 1462362926.12762094 van der Waals (7424.56833s) stopped
T01 << 1462362926.30854893 XC 3D grid (7690.68807s) stopped
T01 >> 1462362926.30861712 Poisson (1537.27156s) started
T01 << 1462362928.67780399 Poisson (1539.64074s) stopped
T01 >> 1462362928.67791605 Hartree integrate/restrict (60.91042s) started
T01 << 1462362928.69683599 Hartree integrate/restrict (60.92934s) stopped
T01 >> 1462362928.69695091 Hartree integrate/restrict (60.92942s) started
T01 << 1462362928.75877810 Hartree integrate/restrict (60.99125s) stopped
T01 >> 1462362928.77786112 Atomic (4711.12689s) started
T01 >> 1462362928.78789210 XC Correction (4701.38057s) started
T01 << 1462362935.02218699 XC Correction (4707.61486s) stopped
T01 << 1462362935.02514601 Atomic (4717.37417s) stopped
T01 >> 1462362935.02524900 Communicate (3703.55493s) started
T01 << 1462362939.83583403 Communicate (3708.36552s) stopped
T01 << 1462362939.83585691 Hamiltonian (17743.63611s) stopped
T01 >> 1462362939.83592296 LCAO eigensolver (6411.18530s) started
T01 >> 1462362939.83593607 Potential matrix (208.47657s) started
T01 << 1462362940.11090589 Potential matrix (208.75154s) stopped
T01 >> 1462362940.11097193 DistributedAtomicCorrection (1068.54598s) started
T01 << 1462362941.48509192 DistributedAtomicCorrection (1069.92010s) stopped
T01 >> 1462362941.48514104 Distribute overlap matrix (939.69085s) started
T01 >> 1462362941.48516297 blocked summation (891.56682s) started
T01 << 1462362942.58841300 blocked summation (892.67007s) stopped
T01 >> 1462362942.58987689 Scalapack redistribute (46.82189s) started
T01 << 1462362942.64908791 Scalapack redistribute (46.88110s) stopped
T01 << 1462362942.64916611 Distribute overlap matrix (940.85487s) stopped
T01 >> 1462362942.64976692 Blacs Orbital Layouts (2200.48620s) started
T01 >> 1462362942.65117598 General diagonalize (2156.08425s) started
T01 << 1462362945.33405590 General diagonalize (2158.76713s) stopped
T01 >> 1462362945.33412099 Redistribute coefs (2.45631s) started
T01 << 1462362945.33690906 Redistribute coefs (2.45909s) stopped
T01 >> 1462362945.33699203 Send coefs to domains (40.63797s) started
T01 << 1462362945.38919711 Send coefs to domains (40.69017s) stopped
T01 << 1462362945.38953900 Blacs Orbital Layouts (2203.22597s) stopped
T01 >> 1462362945.38959193 Calculate projections (1993.29376s) started
T01 << 1462362947.82812405 Calculate projections (1995.73229s) stopped
T01 << 1462362947.82820797 LCAO eigensolver (6419.17758s) stopped
T01 >> 1462362947.82895088 Density (1581.30504s) started
T01 >> 1462362947.82896495 Pseudo density (1309.27523s) started
T01 >> 1462362947.82949090 Calculate density matrix (1176.25897s) started
T01 << 1462362949.44835997 Calculate density matrix (1177.87784s) stopped
T01 >> 1462362949.44845200 Construct density (131.11623s) started
T01 << 1462362949.63374996 Construct density (131.30153s) stopped
T01 >> 1462362949.63510299 Symmetrize density (0.03297s) started
T01 << 1462362949.63513494 Symmetrize density (0.03300s) stopped
T01 << 1462362949.63557911 Pseudo density (1311.08185s) stopped
T01 >> 1462362949.63560009 Atomic density matrices (180.65501s) started
T01 << 1462362949.88127589 Atomic density matrices (180.90069s) stopped
T01 >> 1462362949.88131404 Multipole moments (2.97164s) started
T01 << 1462362949.88561392 Multipole moments (2.97594s) stopped
T01 >> 1462362949.88563490 Normalize (0.81337s) started
T01 << 1462362949.88682508 Normalize (0.81457s) stopped
T01 >> 1462362949.88685989 Mix (87.53896s) started
T01 << 1462362950.01048899 Mix (87.66259s) stopped
T01 << 1462362950.01059389 Density (1583.48668s) stopped
T01 >> 1462362950.01069903 Hamiltonian (17743.63612s) started
T01 >> 1462362950.01072097 vbar (10.76541s) started
T01 << 1462362950.02489400 vbar (10.77958s) stopped
T01 >> 1462362950.02496409 XC 3D grid (7690.68813s) started
T01 >> 1462362950.20567703 van der Waals (7424.56835s) started
T01 >> 1462362950.24664903 semilocal (1664.46468s) started
T01 << 1462362952.47593403 semilocal (1666.69396s) stopped
T01 >> 1462362952.50647211 redistribute (799.76803s) started
T01 << 1462362952.88721704 redistribute (800.14877s) stopped
T01 >> 1462362952.88728595 libvdwxc nonlocal (4904.01087s) started
T01 << 1462362959.58605289 libvdwxc nonlocal (4910.70963s) stopped
T01 >> 1462362959.58613491 redistribute (800.14881s) started
T01 << 1462362960.25844097 redistribute (800.82112s) stopped
T01 << 1462362960.25974298 van der Waals (7434.62242s) stopped
T01 << 1462362960.43190289 XC 3D grid (7701.09507s) stopped
T01 >> 1462362960.43195510 Poisson (1539.64083s) started
T01 << 1462362962.79382110 Poisson (1542.00270s) stopped
T01 >> 1462362962.79389691 Hartree integrate/restrict (60.99131s) started
T01 << 1462362962.81306911 Hartree integrate/restrict (61.01048s) stopped
T01 >> 1462362962.81311703 Hartree integrate/restrict (61.01051s) started
T01 << 1462362962.87543011 Hartree integrate/restrict (61.07283s) stopped
T01 >> 1462362962.89311695 Atomic (4717.37419s) started
T01 >> 1462362962.90338802 XC Correction (4707.61489s) started
T01 << 1462362969.19050002 XC Correction (4713.90200s) stopped
T01 << 1462362969.19349098 Atomic (4723.67457s) stopped
T01 >> 1462362969.19359398 Communicate (3708.36553s) started
T01 << 1462362973.96708393 Communicate (3713.13902s) stopped
T01 << 1462362973.96710706 Hamiltonian (17767.59253s) stopped
T01 >> 1462362973.96716905 LCAO eigensolver (6419.17760s) started
T01 >> 1462362973.96718192 Potential matrix (208.75157s) started
T01 << 1462362974.23915410 Potential matrix (209.02354s) stopped
T01 >> 1462362974.23922110 DistributedAtomicCorrection (1069.92013s) started
T01 << 1462362975.61790204 DistributedAtomicCorrection (1071.29881s) stopped
T01 >> 1462362975.61795092 Distribute overlap matrix (940.85489s) started
T01 >> 1462362975.61797190 blocked summation (892.67010s) started
T01 << 1462362976.73893690 blocked summation (893.79107s) stopped
T01 >> 1462362976.74060392 Scalapack redistribute (46.88113s) started
T01 << 1462362976.79772902 Scalapack redistribute (46.93826s) stopped
T01 << 1462362976.79781199 Distribute overlap matrix (942.03475s) stopped
T01 >> 1462362976.79838109 Blacs Orbital Layouts (2203.22599s) started
T01 >> 1462362976.79980803 General diagonalize (2158.76717s) started
T01 << 1462362979.48383093 General diagonalize (2161.45119s) stopped
T01 >> 1462362979.48389602 Redistribute coefs (2.45913s) started
T01 << 1462362979.48742008 Redistribute coefs (2.46265s) stopped
T01 >> 1462362979.48746705 Send coefs to domains (40.69022s) started
T01 << 1462362979.53920507 Send coefs to domains (40.74196s) stopped
T01 << 1462362979.53954697 Blacs Orbital Layouts (2205.96715s) stopped
T01 >> 1462362979.53960204 Calculate projections (1995.73235s) started
T01 << 1462362981.97801399 Calculate projections (1998.17076s) stopped
T01 << 1462362981.97829103 LCAO eigensolver (6427.18872s) stopped
T01 >> 1462362981.97901511 Density (1583.48670s) started
T01 >> 1462362981.97902799 Pseudo density (1311.08186s) started
T01 >> 1462362981.97954297 Calculate density matrix (1177.87788s) started
T01 << 1462362983.60466695 Calculate density matrix (1179.50301s) stopped
T01 >> 1462362983.60475111 Construct density (131.30156s) started
T01 << 1462362983.78918099 Construct density (131.48599s) stopped
T01 >> 1462362983.79146504 Symmetrize density (0.03301s) started
T01 << 1462362983.79152298 Symmetrize density (0.03307s) stopped
T01 << 1462362983.79197502 Pseudo density (1312.89481s) stopped
T01 >> 1462362983.79199505 Atomic density matrices (180.90071s) started
T01 << 1462362984.03753400 Atomic density matrices (181.14625s) stopped
T01 >> 1462362984.03757000 Multipole moments (2.97595s) started
T01 << 1462362984.04186511 Multipole moments (2.98024s) stopped
T01 >> 1462362984.04188704 Normalize (0.81459s) started
T01 << 1462362984.04306197 Normalize (0.81576s) stopped
T01 >> 1462362984.04309702 Mix (87.66269s) started
T01 << 1462362984.16806793 Mix (87.78766s) stopped
T01 << 1462362984.16819096 Density (1585.67588s) stopped
T01 >> 1462362984.16830206 Hamiltonian (17767.59254s) started
T01 >> 1462362984.16832399 vbar (10.77962s) started
T01 << 1462362984.18247890 vbar (10.79377s) stopped
T01 >> 1462362984.18255401 XC 3D grid (7701.09511s) started
T01 >> 1462362984.36225510 van der Waals (7434.62248s) started
T01 >> 1462362984.40380812 semilocal (1666.69408s) started
T01 << 1462362986.63240790 semilocal (1668.92268s) stopped
T01 >> 1462362986.66330099 redistribute (800.82117s) started
T01 << 1462362987.04090595 redistribute (801.19877s) stopped
T01 >> 1462362987.04097509 libvdwxc nonlocal (4910.70969s) started
T01 << 1462362993.71558094 libvdwxc nonlocal (4917.38429s) stopped
T01 >> 1462362993.71565700 redistribute (801.19881s) started
T01 << 1462362994.38082004 redistribute (801.86398s) stopped
T01 << 1462362994.38217092 van der Waals (7444.64240s) stopped
T01 << 1462362994.55535889 XC 3D grid (7711.46791s) stopped
T01 >> 1462362994.55540395 Poisson (1542.00275s) started
T01 << 1462362996.34315705 Poisson (1543.79050s) stopped
T01 >> 1462362996.34323406 Hartree integrate/restrict (61.07286s) started
T01 << 1462362996.36215305 Hartree integrate/restrict (61.09178s) stopped
T01 >> 1462362996.36221910 Hartree integrate/restrict (61.09182s) started
T01 << 1462362996.42404795 Hartree integrate/restrict (61.15365s) stopped
T01 >> 1462362996.44765401 Atomic (4723.67458s) started
T01 >> 1462362996.45800209 XC Correction (4713.90202s) started
T01 << 1462363002.93055606 XC Correction (4720.37458s) stopped
T01 << 1462363002.93354392 Atomic (4730.16047s) stopped
T01 >> 1462363002.93364811 Communicate (3713.13904s) started
T01 << 1462363007.56056404 Communicate (3717.76595s) stopped
T01 << 1462363007.56058693 Hamiltonian (17790.98483s) stopped
T01 >> 1462363007.56065392 LCAO eigensolver (6427.18874s) started
T01 >> 1462363007.56066704 Potential matrix (209.02357s) started
T01 << 1462363007.83217502 Potential matrix (209.29508s) stopped
T01 >> 1462363007.83224106 DistributedAtomicCorrection (1071.29884s) started
T01 << 1462363009.21809196 DistributedAtomicCorrection (1072.68469s) stopped
T01 >> 1462363009.21814203 Distribute overlap matrix (942.03476s) started
T01 >> 1462363009.21816301 blocked summation (893.79111s) started
T01 << 1462363010.37142992 blocked summation (894.94437s) stopped
T01 >> 1462363010.37368393 Scalapack redistribute (46.93829s) started
T01 << 1462363010.43027091 Scalapack redistribute (46.99488s) stopped
T01 << 1462363010.43036509 Distribute overlap matrix (943.24698s) stopped
T01 >> 1462363010.43101096 Blacs Orbital Layouts (2205.96717s) started
T01 >> 1462363010.43259096 General diagonalize (2161.45123s) started
T01 << 1462363013.13101602 General diagonalize (2164.14965s) stopped
T01 >> 1462363013.13108110 Redistribute coefs (2.46269s) started
T01 << 1462363013.13406706 Redistribute coefs (2.46568s) stopped
T01 >> 1462363013.13411808 Send coefs to domains (40.74200s) started
T01 << 1462363013.18637705 Send coefs to domains (40.79426s) stopped
T01 << 1462363013.18672299 Blacs Orbital Layouts (2208.72288s) stopped
T01 >> 1462363013.18677306 Calculate projections (1998.17081s) started
T01 << 1462363015.62509394 Calculate projections (2000.60914s) stopped
T01 << 1462363015.62552905 LCAO eigensolver (6435.25361s) stopped
T01 >> 1462363015.62623310 Density (1585.67590s) started
T01 >> 1462363015.62624693 Pseudo density (1312.89482s) started
T01 >> 1462363015.62675095 Calculate density matrix (1179.50305s) started
T01 << 1462363017.24932694 Calculate density matrix (1181.12562s) stopped
T01 >> 1462363017.24941492 Construct density (131.48601s) started
T01 << 1462363017.43385196 Construct density (131.67045s) stopped
T01 >> 1462363017.43613911 Symmetrize density (0.03308s) started
T01 << 1462363017.43617105 Symmetrize density (0.03312s) stopped
T01 << 1462363017.43661499 Pseudo density (1314.70519s) stopped
T01 >> 1462363017.43663406 Atomic density matrices (181.14628s) started
T01 << 1462363017.68130112 Atomic density matrices (181.39094s) stopped
T01 >> 1462363017.68133807 Multipole moments (2.98026s) started
T01 << 1462363017.68567395 Multipole moments (2.98459s) stopped
T01 >> 1462363017.68569493 Normalize (0.81579s) started
T01 << 1462363017.68687201 Normalize (0.81697s) stopped
T01 >> 1462363017.68690705 Mix (87.78777s) started
T01 << 1462363017.81137991 Mix (87.91225s) stopped
T01 << 1462363017.81147408 Density (1587.86114s) stopped
T01 >> 1462363017.81156111 Hamiltonian (17790.98484s) started
T01 >> 1462363017.81157994 vbar (10.79382s) started
T01 << 1462363017.82633710 vbar (10.80857s) stopped
T01 >> 1462363017.82640290 XC 3D grid (7711.46794s) started
T01 >> 1462363018.00593400 van der Waals (7444.64245s) started
T01 >> 1462363018.04765201 semilocal (1668.92279s) started
T01 << 1462363020.26166892 semilocal (1671.13681s) stopped
T01 >> 1462363020.29196596 redistribute (801.86404s) started
T01 << 1462363020.67876005 redistribute (802.25083s) stopped
T01 >> 1462363020.67882991 libvdwxc nonlocal (4917.38433s) started
T01 << 1462363027.33822298 libvdwxc nonlocal (4924.04372s) stopped
T01 >> 1462363027.33830404 redistribute (802.25087s) started
T01 << 1462363028.00612593 redistribute (802.91869s) stopped
T01 << 1462363028.00771999 van der Waals (7454.64423s) stopped
T01 << 1462363028.18023491 XC 3D grid (7721.82178s) stopped
T01 >> 1462363028.18030310 Poisson (1543.79056s) started
T01 << 1462363030.55327010 Poisson (1546.16353s) stopped
T01 >> 1462363030.55337906 Hartree integrate/restrict (61.15369s) started
T01 << 1462363030.57227397 Hartree integrate/restrict (61.17259s) stopped
T01 >> 1462363030.57243395 Hartree integrate/restrict (61.17270s) started
T01 << 1462363030.63455391 Hartree integrate/restrict (61.23482s) stopped
T01 >> 1462363030.65255094 Atomic (4730.16049s) started
T01 >> 1462363030.66288090 XC Correction (4720.37460s) started
T01 << 1462363037.11448789 XC Correction (4726.82621s) stopped
T01 << 1462363037.11748195 Atomic (4736.62542s) stopped
T01 >> 1462363037.11758208 Communicate (3717.76597s) started
T01 << 1462363041.90700102 Communicate (3722.55539s) stopped
T01 << 1462363041.90702391 Hamiltonian (17815.08030s) stopped
T01 >> 1462363041.90708709 LCAO eigensolver (6435.25363s) started
T01 >> 1462363041.90709901 Potential matrix (209.29511s) started
T01 << 1462363042.18018198 Potential matrix (209.56820s) stopped
T01 >> 1462363042.18024898 DistributedAtomicCorrection (1072.68472s) started
T01 << 1462363043.56147695 DistributedAtomicCorrection (1074.06595s) stopped
T01 >> 1462363043.56152511 Distribute overlap matrix (943.24700s) started
T01 >> 1462363043.56154704 blocked summation (894.94441s) started
T01 << 1462363044.69134808 blocked summation (896.07421s) stopped
T01 >> 1462363044.69310308 Scalapack redistribute (46.99493s) started
T01 << 1462363044.75268602 Scalapack redistribute (47.05451s) stopped
T01 << 1462363044.75276494 Distribute overlap matrix (944.43824s) stopped
T01 >> 1462363044.75337100 Blacs Orbital Layouts (2208.72290s) started
T01 >> 1462363044.75558496 General diagonalize (2164.14969s) started
T01 << 1462363047.46352410 General diagonalize (2166.85763s) stopped
T01 >> 1462363047.46359110 Redistribute coefs (2.46572s) started
T01 << 1462363047.46688700 Redistribute coefs (2.46901s) stopped
T01 >> 1462363047.46693492 Send coefs to domains (40.79430s) started
T01 << 1462363047.51900697 Send coefs to domains (40.84637s) stopped
T01 << 1462363047.51956201 Blacs Orbital Layouts (2211.48909s) stopped
T01 >> 1462363047.51961803 Calculate projections (2000.60919s) started
T01 << 1462363049.95801210 Calculate projections (2003.04759s) stopped
T01 << 1462363049.95829105 LCAO eigensolver (6443.30483s) stopped
T01 >> 1462363049.95900393 Density (1587.86116s) started
T01 >> 1462363049.95901704 Pseudo density (1314.70521s) started
T01 >> 1462363049.95953298 Calculate density matrix (1181.12567s) started
T01 << 1462363051.57798505 Calculate density matrix (1182.74412s) stopped
T01 >> 1462363051.57807302 Construct density (131.67048s) started
T01 << 1462363051.76335692 Construct density (131.85576s) stopped
T01 >> 1462363051.76563501 Symmetrize density (0.03313s) started
T01 << 1462363051.76567101 Symmetrize density (0.03316s) stopped
T01 << 1462363051.76611590 Pseudo density (1316.51230s) stopped
T01 >> 1462363051.76613498 Atomic density matrices (181.39097s) started
T01 << 1462363052.01111603 Atomic density matrices (181.63595s) stopped
T01 >> 1462363052.01115203 Multipole moments (2.98461s) started
T01 << 1462363052.01553893 Multipole moments (2.98900s) stopped
T01 >> 1462363052.01556110 Normalize (0.81699s) started
T01 << 1462363052.01673293 Normalize (0.81816s) stopped
T01 >> 1462363052.01676893 Mix (87.91234s) started
T01 << 1462363052.14128804 Mix (88.03686s) stopped
T01 << 1462363052.14138198 Density (1590.04354s) stopped
T01 >> 1462363052.14147902 Hamiltonian (17815.08032s) started
T01 >> 1462363052.14149809 vbar (10.80861s) started
T01 << 1462363052.15598798 vbar (10.82310s) stopped
T01 >> 1462363052.15605307 XC 3D grid (7721.82183s) started
T01 >> 1462363052.33284402 van der Waals (7454.64429s) started
T01 >> 1462363052.37437797 semilocal (1671.13691s) started
T01 << 1462363054.59683204 semilocal (1673.35936s) stopped
T01 >> 1462363054.62906694 redistribute (802.91878s) started
T01 << 1462363055.01815295 redistribute (803.30786s) stopped
T01 >> 1462363055.01822305 libvdwxc nonlocal (4924.04378s) started
T01 << 1462363061.70565605 libvdwxc nonlocal (4930.73121s) stopped
T01 >> 1462363061.70573997 redistribute (803.30790s) started
T01 << 1462363062.37668800 redistribute (803.97885s) stopped
T01 << 1462363062.37827897 van der Waals (7464.68973s) stopped
T01 << 1462363062.54868698 XC 3D grid (7732.21446s) stopped
T01 >> 1462363062.54873705 Poisson (1546.16361s) started
T01 << 1462363064.34060502 Poisson (1547.95548s) stopped
T01 >> 1462363064.34068894 Hartree integrate/restrict (61.23486s) started
T01 << 1462363064.35940504 Hartree integrate/restrict (61.25357s) stopped
T01 >> 1462363064.35945797 Hartree integrate/restrict (61.25361s) started
T01 << 1462363064.42194295 Hartree integrate/restrict (61.31609s) stopped
T01 >> 1462363064.43959403 Atomic (4736.62544s) started
T01 >> 1462363064.44979191 XC Correction (4726.82623s) started
T01 << 1462363070.71627498 XC Correction (4733.09271s) stopped
T01 << 1462363070.71925712 Atomic (4742.90510s) stopped
T01 >> 1462363070.71936393 Communicate (3722.55540s) started
T01 << 1462363075.87087607 Communicate (3727.70691s) stopped
T01 << 1462363075.87089801 Hamiltonian (17838.80974s) stopped
T01 >> 1462363075.87096000 LCAO eigensolver (6443.30485s) started
T01 >> 1462363075.87097192 Potential matrix (209.56823s) started
T01 << 1462363076.14392209 Potential matrix (209.84118s) stopped
T01 >> 1462363076.14398789 DistributedAtomicCorrection (1074.06597s) started
T01 << 1462363077.52968502 DistributedAtomicCorrection (1075.45167s) stopped
T01 >> 1462363077.52973390 Distribute overlap matrix (944.43825s) started
T01 >> 1462363077.52975512 blocked summation (896.07425s) started
T01 << 1462363078.64795494 blocked summation (897.19245s) stopped
T01 >> 1462363078.64955997 Scalapack redistribute (47.05454s) started
T01 << 1462363078.70780396 Scalapack redistribute (47.11279s) stopped
T01 << 1462363078.70788598 Distribute overlap matrix (945.61640s) stopped
T01 >> 1462363078.70849395 Blacs Orbital Layouts (2211.48911s) started
T01 >> 1462363078.70999289 General diagonalize (2166.85767s) started
T01 << 1462363081.41241693 General diagonalize (2169.56009s) stopped
T01 >> 1462363081.41248298 Redistribute coefs (2.46905s) started
T01 << 1462363081.41613007 Redistribute coefs (2.47270s) stopped
T01 >> 1462363081.41617608 Send coefs to domains (40.84642s) started
T01 << 1462363081.46789002 Send coefs to domains (40.89813s) stopped
T01 << 1462363081.46823001 Blacs Orbital Layouts (2214.24885s) stopped
T01 >> 1462363081.46828103 Calculate projections (2003.04765s) started
T01 << 1462363083.90678406 Calculate projections (2005.48615s) stopped
T01 << 1462363083.90706205 LCAO eigensolver (6451.34095s) stopped
T01 >> 1462363083.90778708 Density (1590.04355s) started
T01 >> 1462363083.90779996 Pseudo density (1316.51232s) started
T01 >> 1462363083.90831304 Calculate density matrix (1182.74416s) started
T01 << 1462363085.52862597 Calculate density matrix (1184.36447s) stopped
T01 >> 1462363085.52871394 Construct density (131.85579s) started
T01 << 1462363085.71317291 Construct density (132.04025s) stopped
T01 >> 1462363085.71544695 Symmetrize density (0.03317s) started
T01 << 1462363085.71548009 Symmetrize density (0.03321s) stopped
T01 << 1462363085.71592999 Pseudo density (1318.32045s) stopped
T01 >> 1462363085.71595097 Atomic density matrices (181.63597s) started
T01 << 1462363085.96257591 Atomic density matrices (181.88260s) stopped
T01 >> 1462363085.96261406 Multipole moments (2.98901s) started
T01 << 1462363085.96701288 Multipole moments (2.99341s) stopped
T01 >> 1462363085.96703506 Normalize (0.81819s) started
T01 << 1462363085.96821189 Normalize (0.81937s) stopped
T01 >> 1462363085.96824789 Mix (88.03695s) started
T01 << 1462363086.09346795 Mix (88.16217s) stopped
T01 << 1462363086.09357595 Density (1592.22934s) stopped
T01 >> 1462363086.09367204 Hamiltonian (17838.80975s) started
T01 >> 1462363086.09369206 vbar (10.82314s) started
T01 << 1462363086.10837698 vbar (10.83782s) stopped
T01 >> 1462363086.10845304 XC 3D grid (7732.21450s) started
T01 >> 1462363086.28469300 van der Waals (7464.68980s) started
T01 >> 1462363086.32735801 semilocal (1673.35947s) started
T01 << 1462363088.55321789 semilocal (1675.58533s) stopped
T01 >> 1462363088.58255696 redistribute (803.97899s) started
T01 << 1462363088.96668291 redistribute (804.36312s) stopped
T01 >> 1462363088.96675205 libvdwxc nonlocal (4930.73127s) started
T01 << 1462363095.66460109 libvdwxc nonlocal (4937.42912s) stopped
T01 >> 1462363095.66468406 redistribute (804.36316s) started
T01 << 1462363096.33081508 redistribute (805.02929s) stopped
T01 << 1462363096.33227801 van der Waals (7474.73738s) stopped
T01 << 1462363096.50585294 XC 3D grid (7742.61190s) stopped
T01 >> 1462363096.50590301 Poisson (1547.95554s) started
T01 << 1462363098.29748893 Poisson (1549.74713s) stopped
T01 >> 1462363098.29756808 Hartree integrate/restrict (61.31613s) started
T01 << 1462363098.31680894 Hartree integrate/restrict (61.33537s) stopped
T01 >> 1462363098.31686711 Hartree integrate/restrict (61.33541s) started
T01 << 1462363098.37893510 Hartree integrate/restrict (61.39748s) stopped
T01 >> 1462363098.40217400 Atomic (4742.90512s) started
T01 >> 1462363098.41247797 XC Correction (4733.09274s) started
T01 << 1462363104.90979409 XC Correction (4739.59005s) stopped
T01 << 1462363104.91278505 Atomic (4749.41573s) stopped
T01 >> 1462363104.91288590 Communicate (3727.70693s) started
T01 << 1462363109.67585993 Communicate (3732.46990s) stopped
T01 << 1462363109.67588210 Hamiltonian (17862.39196s) stopped
T01 >> 1462363109.67594504 LCAO eigensolver (6451.34097s) started
T01 >> 1462363109.67595792 Potential matrix (209.84121s) started
T01 << 1462363109.94958496 Potential matrix (210.11484s) stopped
T01 >> 1462363109.94965601 DistributedAtomicCorrection (1075.45170s) started
T01 << 1462363111.34320498 DistributedAtomicCorrection (1076.84525s) stopped
T01 >> 1462363111.34325409 Distribute overlap matrix (945.61641s) started
T01 >> 1462363111.34327507 blocked summation (897.19249s) started
T01 << 1462363112.44956207 blocked summation (898.29878s) stopped
T01 >> 1462363112.45180297 Scalapack redistribute (47.11282s) started
T01 << 1462363112.51095796 Scalapack redistribute (47.17198s) stopped
T01 << 1462363112.51105189 Distribute overlap matrix (946.78421s) stopped
T01 >> 1462363112.51172996 Blacs Orbital Layouts (2214.24887s) started
T01 >> 1462363112.51331091 General diagonalize (2169.56013s) started
T01 << 1462363115.22328901 General diagonalize (2172.27011s) stopped
T01 >> 1462363115.22335291 Redistribute coefs (2.47273s) started
T01 << 1462363115.22635388 Redistribute coefs (2.47573s) stopped
T01 >> 1462363115.22640300 Send coefs to domains (40.89817s) started
T01 << 1462363115.27822399 Send coefs to domains (40.94999s) stopped
T01 << 1462363115.27859092 Blacs Orbital Layouts (2217.01573s) stopped
T01 >> 1462363115.27865005 Calculate projections (2005.48621s) started
T01 << 1462363117.71702194 Calculate projections (2007.92458s) stopped
T01 << 1462363117.71745610 LCAO eigensolver (6459.38248s) stopped
T01 >> 1462363117.71817398 Density (1592.22936s) started
T01 >> 1462363117.71818805 Pseudo density (1318.32046s) started
T01 >> 1462363117.71871710 Calculate density matrix (1184.36452s) started
T01 << 1462363119.33938503 Calculate density matrix (1185.98519s) stopped
T01 >> 1462363119.33947301 Construct density (132.04028s) started
T01 << 1462363119.52384710 Construct density (132.22465s) stopped
T01 >> 1462363119.52613091 Symmetrize density (0.03322s) started
T01 << 1462363119.52616310 Symmetrize density (0.03325s) stopped
T01 << 1462363119.52660608 Pseudo density (1320.12888s) stopped
T01 >> 1462363119.52662611 Atomic density matrices (181.88262s) started
T01 << 1462363119.77313709 Atomic density matrices (182.12913s) stopped
T01 >> 1462363119.77317405 Multipole moments (2.99342s) started
T01 << 1462363119.77757192 Multipole moments (2.99782s) stopped
T01 >> 1462363119.77759290 Normalize (0.81939s) started
T01 << 1462363119.77878308 Normalize (0.82058s) stopped
T01 >> 1462363119.77881789 Mix (88.16227s) started
T01 << 1462363119.90327191 Mix (88.28672s) stopped
T01 << 1462363119.90336800 Density (1594.41456s) stopped
T01 >> 1462363119.90347004 Hamiltonian (17862.39197s) started
T01 >> 1462363119.90349007 vbar (10.83786s) started
T01 << 1462363119.91768503 vbar (10.85206s) stopped
T01 >> 1462363119.91775107 XC 3D grid (7742.61194s) started
T01 >> 1462363120.09877300 van der Waals (7474.73749s) started
T01 >> 1462363120.13998890 semilocal (1675.58540s) started
T01 << 1462363122.36227798 semilocal (1677.80769s) stopped
T01 >> 1462363122.39255905 redistribute (805.02937s) started
T01 << 1462363122.78002596 redistribute (805.41684s) stopped
T01 >> 1462363122.78009701 libvdwxc nonlocal (4937.42915s) started
T01 << 1462363129.45462704 libvdwxc nonlocal (4944.10368s) stopped
T01 >> 1462363129.45474291 redistribute (805.41688s) started
T01 << 1462363130.12725902 redistribute (806.08939s) stopped
T01 << 1462363130.12869310 van der Waals (7484.76741s) stopped
T01 << 1462363130.30047894 XC 3D grid (7752.99466s) stopped
T01 >> 1462363130.30055308 Poisson (1549.74719s) started
T01 << 1462363132.08739400 Poisson (1551.53403s) stopped
T01 >> 1462363132.08752203 Hartree integrate/restrict (61.39752s) started
T01 << 1462363132.10640097 Hartree integrate/restrict (61.41639s) stopped
T01 >> 1462363132.10655689 Hartree integrate/restrict (61.41651s) started
T01 << 1462363132.17342210 Hartree integrate/restrict (61.48338s) stopped
T01 >> 1462363132.19233489 Atomic (4749.41575s) started
T01 >> 1462363132.20263910 XC Correction (4739.59007s) started
T01 << 1462363138.48257399 XC Correction (4745.87001s) stopped
T01 << 1462363138.48557591 Atomic (4755.70899s) stopped
T01 >> 1462363138.48568702 Communicate (3732.46992s) started
T01 << 1462363143.24187207 Communicate (3737.22610s) stopped
T01 << 1462363143.24189401 Hamiltonian (17885.73040s) stopped
T01 >> 1462363143.24195695 LCAO eigensolver (6459.38250s) started
T01 >> 1462363143.24196911 Potential matrix (210.11487s) started
T01 << 1462363143.51348090 Potential matrix (210.38638s) stopped
T01 >> 1462363143.51354790 DistributedAtomicCorrection (1076.84528s) started
T01 << 1462363144.89562702 DistributedAtomicCorrection (1078.22735s) stopped
T01 >> 1462363144.89568210 Distribute overlap matrix (946.78425s) started
T01 >> 1462363144.89570403 blocked summation (898.29882s) started
T01 << 1462363146.01485109 blocked summation (899.41796s) stopped
T01 >> 1462363146.01646805 Scalapack redistribute (47.17203s) started
T01 << 1462363146.07350802 Scalapack redistribute (47.22907s) stopped
T01 << 1462363146.07359910 Distribute overlap matrix (947.96217s) stopped
T01 >> 1462363146.07421398 Blacs Orbital Layouts (2217.01574s) started
T01 >> 1462363146.07576299 General diagonalize (2172.27015s) started
T01 << 1462363148.78373098 General diagonalize (2174.97812s) stopped
T01 >> 1462363148.78379607 Redistribute coefs (2.47577s) started
T01 << 1462363148.78736210 Redistribute coefs (2.47934s) stopped
T01 >> 1462363148.78740907 Send coefs to domains (40.95004s) started
T01 << 1462363148.83973408 Send coefs to domains (41.00236s) stopped
T01 << 1462363148.84010005 Blacs Orbital Layouts (2219.78163s) stopped
T01 >> 1462363148.84015608 Calculate projections (2007.92464s) started
T01 << 1462363151.27855206 Calculate projections (2010.36303s) stopped
T01 << 1462363151.27883410 LCAO eigensolver (6467.41938s) stopped
T01 >> 1462363151.27956891 Density (1594.41458s) started
T01 >> 1462363151.27958202 Pseudo density (1320.12890s) started
T01 >> 1462363151.28010011 Calculate density matrix (1185.98523s) started
T01 << 1462363152.90092492 Calculate density matrix (1187.60605s) stopped
T01 >> 1462363152.90101004 Construct density (132.22468s) started
T01 << 1462363153.08654809 Construct density (132.41021s) stopped
T01 >> 1462363153.08882904 Symmetrize density (0.03326s) started
T01 << 1462363153.08886194 Symmetrize density (0.03330s) stopped
T01 << 1462363153.08930898 Pseudo density (1321.93862s) stopped
T01 >> 1462363153.08932805 Atomic density matrices (182.12916s) started
T01 << 1462363153.33530092 Atomic density matrices (182.37513s) stopped
T01 >> 1462363153.33533812 Multipole moments (2.99784s) started
T01 << 1462363153.33974600 Multipole moments (3.00224s) stopped
T01 >> 1462363153.33976889 Normalize (0.82061s) started
T01 << 1462363153.34094095 Normalize (0.82178s) stopped
T01 >> 1462363153.34097791 Mix (88.28682s) started
T01 << 1462363153.46538401 Mix (88.41122s) stopped
T01 << 1462363153.46550202 Density (1596.60051s) stopped
T01 >> 1462363153.46560407 Hamiltonian (17885.73041s) started
T01 >> 1462363153.46562290 vbar (10.85210s) started
T01 << 1462363153.48000193 vbar (10.86648s) stopped
T01 >> 1462363153.48007393 XC 3D grid (7752.99472s) started
T01 >> 1462363153.65747404 van der Waals (7484.76746s) started
T01 >> 1462363153.69969606 semilocal (1677.80779s) started
T01 << 1462363155.91404104 semilocal (1680.02213s) stopped
T01 >> 1462363155.94589901 redistribute (806.08949s) started
T01 << 1462363156.32998395 redistribute (806.47358s) stopped
T01 >> 1462363156.33005309 libvdwxc nonlocal (4944.10377s) started
T01 << 1462363163.00976706 libvdwxc nonlocal (4950.78348s) stopped
T01 >> 1462363163.00985909 redistribute (806.47361s) started
T01 << 1462363163.67002201 redistribute (807.13378s) stopped
T01 << 1462363163.67168403 van der Waals (7494.78167s) stopped
T01 << 1462363163.84067702 XC 3D grid (7763.35533s) stopped
T01 >> 1462363163.84072709 Poisson (1551.53413s) started
T01 << 1462363165.62768102 Poisson (1553.32109s) stopped
T01 >> 1462363165.62776899 Hartree integrate/restrict (61.48341s) started
T01 << 1462363165.64689207 Hartree integrate/restrict (61.50253s) stopped
T01 >> 1462363165.64694190 Hartree integrate/restrict (61.50257s) started
T01 << 1462363165.70917106 Hartree integrate/restrict (61.56480s) stopped
T01 >> 1462363165.72742891 Atomic (4755.70900s) started
T01 >> 1462363165.73772907 XC Correction (4745.87003s) started
T01 << 1462363171.98653102 XC Correction (4752.11884s) stopped
T01 << 1462363171.98952198 Atomic (4761.97110s) stopped
T01 >> 1462363171.98962307 Communicate (3737.22612s) started
T01 << 1462363176.77832198 Communicate (3742.01482s) stopped
T01 << 1462363176.77834511 Hamiltonian (17909.04315s) stopped
T01 >> 1462363176.77840996 LCAO eigensolver (6467.41940s) started
T01 >> 1462363176.77842307 Potential matrix (210.38642s) started
T01 << 1462363177.05051994 Potential matrix (210.65851s) stopped
T01 >> 1462363177.05058694 DistributedAtomicCorrection (1078.22739s) started
T01 << 1462363178.44158196 DistributedAtomicCorrection (1079.61838s) stopped
T01 >> 1462363178.44162989 Distribute overlap matrix (947.96218s) started
T01 >> 1462363178.44165611 blocked summation (899.41800s) started
T01 << 1462363179.55059409 blocked summation (900.52694s) stopped
T01 >> 1462363179.55225897 Scalapack redistribute (47.22911s) started
T01 << 1462363179.61033297 Scalapack redistribute (47.28719s) stopped
T01 << 1462363179.61041188 Distribute overlap matrix (949.13096s) stopped
T01 >> 1462363179.61099601 Blacs Orbital Layouts (2219.78165s) started
T01 >> 1462363179.61268306 General diagonalize (2174.97815s) started
T01 << 1462363182.29141212 General diagonalize (2177.65688s) stopped
T01 >> 1462363182.29147696 Redistribute coefs (2.47937s) started
T01 << 1462363182.29531193 Redistribute coefs (2.48321s) stopped
T01 >> 1462363182.29535794 Send coefs to domains (41.00240s) started
T01 << 1462363182.34705806 Send coefs to domains (41.05410s) stopped
T01 << 1462363182.34737706 Blacs Orbital Layouts (2222.51803s) stopped
T01 >> 1462363182.34743500 Calculate projections (2010.36309s) started
T01 << 1462363184.78573895 Calculate projections (2012.80140s) stopped
T01 << 1462363184.78601503 LCAO eigensolver (6475.42700s) stopped
T01 << 1462363184.78673196 SCF-cycle (25981.74583s) stopped
T01 >> 1462363185.71277499 Force calculation (1561.82179s) started
T01 >> 1462363185.71283698 LCAO forces (966.02052s) started
T01 >> 1462363185.71318889 Initial (0.00114s) started
T01 << 1462363185.71320009 Initial (0.00115s) stopped
T01 >> 1462363185.71759200 Get density matrix (188.96608s) started
T01 << 1462363186.32589006 Get density matrix (189.57438s) stopped
T01 >> 1462363186.32595611 Potential (69.63575s) started
T01 << 1462363187.76467705 Potential (71.07447s) stopped
T01 >> 1462363187.76472998 Get density matrix (189.57441s) started
T01 << 1462363191.01432204 Get density matrix (192.82401s) stopped
T01 >> 1462363191.01445889 Prepare TCI loop (93.96352s) started
T01 >> 1462363191.01496100 Get neighbors (88.80582s) started
T01 << 1462363192.87743711 Get neighbors (90.66830s) stopped
T01 >> 1462363192.87766194 broadcast dH (5.12255s) started
T01 << 1462363192.88767791 broadcast dH (5.13256s) stopped
T01 << 1462363192.88772106 Prepare TCI loop (95.83678s) stopped
T01 >> 1462363192.88773799 Not so complicated loop (135.36923s) started
T01 << 1462363195.62388301 Not so complicated loop (138.10537s) stopped
T01 >> 1462363195.75134492 Complicated loop (471.11333s) started
T01 << 1462363205.46203303 Complicated loop (480.82402s) stopped
T01 >> 1462363205.47710705 Wait for sum (0.00284s) started
T01 << 1462363205.47715306 Wait for sum (0.00288s) stopped
T01 << 1462363205.47716594 LCAO forces (985.78485s) stopped
T01 << 1462363218.08738494 Force calculation (1594.19640s) stopped
T01 >> 1462363218.10579705 Initialization (2559.83328s) started
T01 << 1462363218.10599589 Initialization (2559.83348s) stopped
T01 >> 1462363218.10632396 Initialization (2559.83350s) started
T01 << 1462363218.10646892 Initialization (2559.83364s) stopped
T01 >> 1462363218.10661602 Initialization (2559.83365s) started
T01 << 1462363218.10676193 Initialization (2559.83380s) stopped
T01 >> 1462363238.40521693 Initialization (2559.83382s) started
T01 >> 1462363238.52831793 Basic WFS set positions (4.97068s) started
T01 >> 1462363238.52834392 Redistribute (0.09694s) started
T01 << 1462363238.52848291 Redistribute (0.09708s) stopped
T01 << 1462363238.62428999 Basic WFS set positions (5.06665s) stopped
T01 >> 1462363238.62432194 Basis functions set positions (21.09502s) started
T01 << 1462363239.04539394 Basis functions set positions (21.51609s) stopped
T01 >> 1462363239.04622507 TCI: Calculate S, T, P (768.12364s) started
T01 << 1462363254.38391495 TCI: Calculate S, T, P (783.46133s) stopped
T01 >> 1462363254.38400793 blocked summation (206.30234s) started
T01 << 1462363258.59926701 blocked summation (210.51760s) stopped
T01 >> 1462363258.60093999 Scalapack redistribute (12.40815s) started
T01 << 1462363258.66082692 Scalapack redistribute (12.46803s) stopped
T01 >> 1462363258.66113997 blocked summation (210.51764s) started
T01 << 1462363258.82342601 blocked summation (210.67993s) stopped
T01 >> 1462363258.82503295 Scalapack redistribute (12.46807s) started
T01 << 1462363259.02652788 Scalapack redistribute (12.66957s) stopped
T01 >> 1462363259.02804995 Redistribute (0.10231s) started
T01 << 1462363259.02901006 Redistribute (0.10327s) stopped
T01 >> 1462363259.95468712 Redistribute (0.10328s) started
T01 << 1462363259.95561695 Redistribute (0.10421s) stopped
T01 >> 1462363259.96630001 LCAO WFS Initialize (1493.84490s) started
T01 >> 1462363259.96632910 Density initialize from wavefunctions (61.09887s) started
T01 >> 1462363259.96679711 Calculate density matrix (35.25495s) started
T01 << 1462363260.67195392 Calculate density matrix (35.96011s) stopped
T01 >> 1462363260.67201996 Construct density (8.83322s) started
T01 << 1462363260.85713911 Construct density (9.01834s) stopped
T01 >> 1462363260.85868907 Symmetrize density (0.00217s) started
T01 << 1462363260.85872197 Symmetrize density (0.00221s) stopped
T01 << 1462363261.20593190 Density initialize from wavefunctions (62.33847s) stopped
T01 >> 1462363261.20649695 Hamiltonian (1432.52155s) started
T01 >> 1462363261.20653105 vbar (0.75266s) started
T01 << 1462363261.22062397 vbar (0.76675s) stopped
T01 >> 1462363261.22143292 XC 3D grid (525.50690s) started
T01 >> 1462363261.40400100 van der Waals (507.29580s) started
T01 >> 1462363261.44404411 semilocal (113.10856s) started
T01 << 1462363263.65428090 semilocal (115.31880s) stopped
T01 >> 1462363263.68517709 redistribute (53.97223s) started
T01 << 1462363264.06463289 redistribute (54.35169s) stopped
T01 >> 1462363264.06470609 libvdwxc nonlocal (336.37041s) started
T01 << 1462363270.74405098 libvdwxc nonlocal (343.04976s) stopped
T01 >> 1462363270.74412394 redistribute (54.35173s) started
T01 << 1462363271.39921808 redistribute (55.00682s) stopped
T01 << 1462363271.40053105 van der Waals (517.29233s) stopped
T01 << 1462363271.58094192 XC 3D grid (535.86641s) stopped
T01 >> 1462363271.58099890 Poisson (238.92922s) started
T01 << 1462363276.30140901 Poisson (243.64963s) stopped
T01 >> 1462363276.30151010 Hartree integrate/restrict (4.13844s) started
T01 << 1462363276.32034707 Hartree integrate/restrict (4.15728s) stopped
T01 >> 1462363276.32046103 Hartree integrate/restrict (4.15736s) started
T01 << 1462363276.38670611 Hartree integrate/restrict (4.22361s) stopped
T01 >> 1462363276.40662193 Atomic (336.73836s) started
T01 >> 1462363276.41673112 XC Correction (336.05697s) started
T01 << 1462363282.95217609 XC Correction (342.59242s) stopped
T01 << 1462363282.95519900 Atomic (343.28694s) stopped
T01 >> 1462363282.95541000 Communicate (325.35487s) started
T01 << 1462363289.22746396 Communicate (331.62692s) stopped
T01 << 1462363289.22748709 Hamiltonian (1460.54254s) stopped
T01 << 1462363289.22753811 LCAO WFS Initialize (1523.10614s) stopped
T01 << 1462363289.23965311 Initialization (2610.66826s) stopped
T01 >> 1462363289.26458907 SCF-cycle (25981.74584s) started
T01 >> 1462363289.26462793 LCAO eigensolver (6475.42702s) started
T01 >> 1462363289.26464105 Potential matrix (210.65855s) started
T01 << 1462363289.53749895 Potential matrix (210.93140s) stopped
T01 >> 1462363289.53756690 DistributedAtomicCorrection (1079.61841s) started
T01 << 1462363290.90133595 DistributedAtomicCorrection (1080.98218s) stopped
T01 >> 1462363290.90140390 Distribute overlap matrix (949.13097s) started
T01 >> 1462363290.90142608 blocked summation (900.52698s) started
T01 << 1462363292.04918909 blocked summation (901.67474s) stopped
T01 >> 1462363292.05066109 Scalapack redistribute (47.28722s) started
T01 << 1462363292.11183596 Scalapack redistribute (47.34839s) stopped
T01 << 1462363292.11191607 Distribute overlap matrix (950.34149s) stopped
T01 >> 1462363292.11252689 Blacs Orbital Layouts (2222.51805s) started
T01 >> 1462363292.11466599 General diagonalize (2177.65692s) started
T01 << 1462363294.81947494 General diagonalize (2180.36173s) stopped
T01 >> 1462363294.81952500 Redistribute coefs (2.48324s) started
T01 << 1462363294.82242799 Redistribute coefs (2.48615s) stopped
T01 >> 1462363294.82247591 Send coefs to domains (41.05415s) started
T01 << 1462363294.87522507 Send coefs to domains (41.10689s) stopped
T01 << 1462363294.87578106 Blacs Orbital Layouts (2225.28130s) stopped
T01 >> 1462363294.87581491 Calculate projections (2012.80145s) started
T01 << 1462363297.31434298 Calculate projections (2015.23998s) stopped
T01 << 1462363297.31442404 LCAO eigensolver (6483.47681s) stopped
T01 >> 1462363297.31508589 Density (1596.60053s) started
T01 >> 1462363297.31509900 Pseudo density (1321.93864s) started
T01 >> 1462363297.31561089 Calculate density matrix (1187.60609s) started
T01 << 1462363298.92952800 Calculate density matrix (1189.22001s) stopped
T01 >> 1462363298.92959094 Construct density (132.41024s) started
T01 << 1462363299.11465812 Construct density (132.59531s) stopped
T01 >> 1462363299.11600804 Symmetrize density (0.03331s) started
T01 << 1462363299.11604190 Symmetrize density (0.03334s) stopped
T01 << 1462363299.11648703 Pseudo density (1323.74003s) stopped
T01 >> 1462363299.11650610 Atomic density matrices (182.37515s) started
T01 << 1462363299.36560988 Atomic density matrices (182.62426s) stopped
T01 >> 1462363299.36564994 Multipole moments (3.00226s) started
T01 << 1462363299.37001204 Multipole moments (3.00662s) stopped
T01 >> 1462363299.37003303 Normalize (0.82180s) started
T01 << 1462363299.37127399 Normalize (0.82305s) stopped
T01 >> 1462363299.37130904 Mix (88.41133s) started
T01 << 1462363299.48007607 Mix (88.52010s) stopped
T01 << 1462363299.48020196 Density (1598.76564s) stopped
T01 >> 1462363299.48030996 Hamiltonian (17909.04316s) started
T01 >> 1462363299.48032808 vbar (10.86652s) started
T01 << 1462363299.49465704 vbar (10.88085s) stopped
T01 >> 1462363299.49473000 XC 3D grid (7763.35536s) started
T01 >> 1462363299.67201304 van der Waals (7494.78174s) started
T01 >> 1462363299.71437502 semilocal (1680.02222s) started
T01 << 1462363301.93204403 semilocal (1682.23989s) stopped
T01 >> 1462363301.96580195 redistribute (807.13389s) started
T01 << 1462363302.35312104 redistribute (807.52121s) stopped
T01 >> 1462363302.35318589 libvdwxc nonlocal (4950.78354s) started
T01 << 1462363309.04291511 libvdwxc nonlocal (4957.47327s) stopped
T01 >> 1462363309.04297805 redistribute (807.52124s) started
T01 << 1462363309.71015906 redistribute (808.18842s) stopped
T01 << 1462363309.71169305 van der Waals (7504.82142s) stopped
T01 << 1462363309.89195204 XC 3D grid (7773.75258s) stopped
T01 >> 1462363309.89199710 Poisson (1553.32116s) started
T01 << 1462363311.68648100 Poisson (1555.11564s) stopped
T01 >> 1462363311.68655205 Hartree integrate/restrict (61.56483s) started
T01 << 1462363311.70547295 Hartree integrate/restrict (61.58375s) stopped
T01 >> 1462363311.70551991 Hartree integrate/restrict (61.58378s) started
T01 << 1462363311.76742005 Hartree integrate/restrict (61.64568s) stopped
T01 >> 1462363311.78915906 Atomic (4761.97111s) started
T01 >> 1462363311.79900503 XC Correction (4752.11886s) started
T01 << 1462363318.36757112 XC Correction (4758.68742s) stopped
T01 << 1462363318.37052703 Atomic (4768.55248s) stopped
T01 >> 1462363318.37062693 Communicate (3742.01483s) started
T01 << 1462363324.21442890 Communicate (3747.85863s) stopped
T01 << 1462363324.21445203 Hamiltonian (17933.77731s) stopped
T01 >> 1462363324.21451592 LCAO eigensolver (6483.47683s) started
T01 >> 1462363324.21452808 Potential matrix (210.93144s) started
T01 << 1462363324.48768711 Potential matrix (211.20460s) stopped
T01 >> 1462363324.48775291 DistributedAtomicCorrection (1080.98221s) started
T01 << 1462363325.84384394 DistributedAtomicCorrection (1082.33830s) stopped
T01 >> 1462363325.84390903 Distribute overlap matrix (950.34150s) started
T01 >> 1462363325.84393096 blocked summation (901.67478s) started
T01 << 1462363326.99530196 blocked summation (902.82615s) stopped
T01 >> 1462363326.99674797 Scalapack redistribute (47.34843s) started
T01 << 1462363327.05599308 Scalapack redistribute (47.40768s) stopped
T01 << 1462363327.05607390 Distribute overlap matrix (951.55366s) stopped
T01 >> 1462363327.05669498 Blacs Orbital Layouts (2225.28132s) started
T01 >> 1462363327.05800891 General diagonalize (2180.36177s) started
T01 << 1462363329.75656104 General diagonalize (2183.06032s) stopped
T01 >> 1462363329.75662708 Redistribute coefs (2.48618s) started
T01 << 1462363329.75934696 Redistribute coefs (2.48890s) stopped
T01 >> 1462363329.75943089 Send coefs to domains (41.10694s) started
T01 << 1462363329.81224489 Send coefs to domains (41.15975s) stopped
T01 << 1462363329.81256795 Blacs Orbital Layouts (2228.03720s) stopped
T01 >> 1462363329.81262589 Calculate projections (2015.24004s) started
T01 << 1462363332.25106311 Calculate projections (2017.67848s) stopped
T01 << 1462363332.25114894 LCAO eigensolver (6491.51346s) stopped
T01 >> 1462363332.25178599 Density (1598.76566s) started
T01 >> 1462363332.25180006 Pseudo density (1323.74004s) started
T01 >> 1462363332.25230193 Calculate density matrix (1189.22005s) started
T01 << 1462363333.85899401 Calculate density matrix (1190.82674s) stopped
T01 >> 1462363333.85906506 Construct density (132.59534s) started
T01 << 1462363334.04448390 Construct density (132.78076s) stopped
T01 >> 1462363334.04584408 Symmetrize density (0.03335s) started
T01 << 1462363334.04587793 Symmetrize density (0.03339s) stopped
T01 << 1462363334.04631901 Pseudo density (1325.53456s) stopped
T01 >> 1462363334.04633904 Atomic density matrices (182.62428s) started
T01 << 1462363334.29500008 Atomic density matrices (182.87294s) stopped
T01 >> 1462363334.29503608 Multipole moments (3.00663s) started
T01 << 1462363334.29934192 Multipole moments (3.01094s) stopped
T01 >> 1462363334.29936409 Normalize (0.82307s) started
T01 << 1462363334.30059409 Normalize (0.82430s) stopped
T01 >> 1462363334.30063009 Mix (88.52022s) started
T01 << 1462363334.41316199 Mix (88.63275s) stopped
T01 << 1462363334.41328692 Density (1600.92716s) stopped
T01 >> 1462363334.41340494 Hamiltonian (17933.77732s) started
T01 >> 1462363334.41342402 vbar (10.88089s) started
T01 << 1462363334.42748809 vbar (10.89495s) stopped
T01 >> 1462363334.42755294 XC 3D grid (7773.75262s) started
T01 >> 1462363334.60136104 van der Waals (7504.82147s) started
T01 >> 1462363334.64320898 semilocal (1682.23998s) started
T01 << 1462363336.86323595 semilocal (1684.46000s) stopped
T01 >> 1462363336.89515901 redistribute (808.18847s) started
T01 << 1462363337.27468491 redistribute (808.56800s) stopped
T01 >> 1462363337.27475095 libvdwxc nonlocal (4957.47331s) started
T01 << 1462363343.95761800 libvdwxc nonlocal (4964.15618s) stopped
T01 >> 1462363343.95769191 redistribute (808.56803s) started
T01 << 1462363344.61830497 redistribute (809.22865s) stopped
T01 << 1462363344.61967993 van der Waals (7514.83979s) stopped
T01 << 1462363344.80014801 XC 3D grid (7784.12521s) stopped
T01 >> 1462363344.80019903 Poisson (1555.11569s) started
T01 << 1462363346.59237194 Poisson (1556.90787s) stopped
T01 >> 1462363346.59245896 Hartree integrate/restrict (61.64571s) started
T01 << 1462363346.61160111 Hartree integrate/restrict (61.66486s) stopped
T01 >> 1462363346.61165595 Hartree integrate/restrict (61.66489s) started
T01 << 1462363346.67885709 Hartree integrate/restrict (61.73209s) stopped
T01 >> 1462363346.69728303 Atomic (4768.55250s) started
T01 >> 1462363346.70704699 XC Correction (4758.68745s) started
T01 << 1462363352.93305206 XC Correction (4764.91345s) stopped
T01 << 1462363352.93600988 Atomic (4774.79123s) stopped
T01 >> 1462363352.93610907 Communicate (3747.85865s) started
T01 << 1462363358.56312299 Communicate (3753.48566s) stopped
T01 << 1462363358.56314611 Hamiltonian (17957.92706s) stopped
T01 >> 1462363358.56321192 LCAO eigensolver (6491.51347s) started
T01 >> 1462363358.56322503 Potential matrix (211.20463s) started
T01 << 1462363358.83720207 Potential matrix (211.47861s) stopped
T01 >> 1462363358.83726811 DistributedAtomicCorrection (1082.33833s) started
T01 << 1462363360.20595503 DistributedAtomicCorrection (1083.70701s) stopped
T01 >> 1462363360.20602202 Distribute overlap matrix (951.55367s) started
T01 >> 1462363360.20604300 blocked summation (902.82620s) started
T01 << 1462363361.34158897 blocked summation (903.96174s) stopped
T01 >> 1462363361.34301805 Scalapack redistribute (47.40771s) started
T01 << 1462363361.40147400 Scalapack redistribute (47.46617s) stopped
T01 << 1462363361.40155506 Distribute overlap matrix (952.74921s) stopped
T01 >> 1462363361.40218306 Blacs Orbital Layouts (2228.03721s) started
T01 >> 1462363361.40351510 General diagonalize (2183.06036s) started
T01 << 1462363364.11504292 General diagonalize (2185.77189s) stopped
T01 >> 1462363364.11510992 Redistribute coefs (2.48894s) started
T01 << 1462363364.11793590 Redistribute coefs (2.49177s) stopped
T01 >> 1462363364.11801910 Send coefs to domains (41.15979s) started
T01 << 1462363364.16997504 Send coefs to domains (41.21175s) stopped
T01 << 1462363364.17031908 Blacs Orbital Layouts (2230.80535s) stopped
T01 >> 1462363364.17037797 Calculate projections (2017.67853s) started
T01 << 1462363366.60881305 Calculate projections (2020.11697s) stopped
T01 << 1462363366.60889697 LCAO eigensolver (6499.55916s) stopped
T01 >> 1462363366.60960698 Density (1600.92718s) started
T01 >> 1462363366.60962009 Pseudo density (1325.53457s) started
T01 >> 1462363366.61013389 Calculate density matrix (1190.82679s) started
T01 << 1462363368.22397089 Calculate density matrix (1192.44062s) stopped
T01 >> 1462363368.22405791 Construct density (132.78079s) started
T01 << 1462363368.40888596 Construct density (132.96562s) stopped
T01 >> 1462363368.41024303 Symmetrize density (0.03340s) started
T01 << 1462363368.41027594 Symmetrize density (0.03343s) stopped
T01 << 1462363368.41072798 Pseudo density (1327.33568s) stopped
T01 >> 1462363368.41074705 Atomic density matrices (182.87297s) started
T01 << 1462363368.65950704 Atomic density matrices (183.12173s) stopped
T01 >> 1462363368.65954304 Multipole moments (3.01096s) started
T01 << 1462363368.66384006 Multipole moments (3.01525s) stopped
T01 >> 1462363368.66386199 Normalize (0.82433s) started
T01 << 1462363368.66509891 Normalize (0.82556s) stopped
T01 >> 1462363368.66513395 Mix (88.63287s) started
T01 << 1462363368.78067088 Mix (88.74841s) stopped
T01 << 1462363368.78081012 Density (1603.09839s) stopped
T01 >> 1462363368.78093791 Hamiltonian (17957.92707s) started
T01 >> 1462363368.78096104 vbar (10.89499s) started
T01 << 1462363368.79532909 vbar (10.90935s) stopped
T01 >> 1462363368.79541206 XC 3D grid (7784.12525s) started
T01 >> 1462363368.97142291 van der Waals (7514.83985s) started
T01 >> 1462363369.01270604 semilocal (1684.46011s) started
T01 << 1462363371.24476600 semilocal (1686.69217s) stopped
T01 >> 1462363371.27482700 redistribute (809.22869s) started
T01 << 1462363371.64577699 redistribute (809.59964s) stopped
T01 >> 1462363371.64584398 libvdwxc nonlocal (4964.15623s) started
T01 << 1462363378.31944990 libvdwxc nonlocal (4970.82983s) stopped
T01 >> 1462363378.31952000 redistribute (809.59968s) started
T01 << 1462363378.98118496 redistribute (810.26134s) stopped
T01 << 1462363378.98268509 van der Waals (7524.85111s) stopped
T01 << 1462363379.16195297 XC 3D grid (7794.49179s) stopped
T01 >> 1462363379.16200304 Poisson (1556.90793s) started
T01 << 1462363381.54840112 Poisson (1559.29433s) stopped
T01 >> 1462363381.54850411 Hartree integrate/restrict (61.73213s) started
T01 << 1462363381.56573701 Hartree integrate/restrict (61.74937s) stopped
T01 >> 1462363381.56585193 Hartree integrate/restrict (61.74944s) started
T01 << 1462363381.64732695 Hartree integrate/restrict (61.83092s) stopped
T01 >> 1462363381.66555691 Atomic (4774.79124s) started
T01 >> 1462363381.67536306 XC Correction (4764.91348s) started
T01 << 1462363387.82735801 XC Correction (4771.06547s) stopped
T01 << 1462363387.83034110 Atomic (4780.95603s) stopped
T01 >> 1462363387.83044291 Communicate (3753.48568s) started
T01 << 1462363392.86661792 Communicate (3758.52185s) stopped
T01 << 1462363392.86664104 Hamiltonian (17982.01278s) stopped
T01 >> 1462363392.86671209 LCAO eigensolver (6499.55917s) started
T01 >> 1462363392.86672497 Potential matrix (211.47864s) started
T01 << 1462363393.14093590 Potential matrix (211.75285s) stopped
T01 >> 1462363393.14100289 DistributedAtomicCorrection (1083.70704s) started
T01 << 1462363394.50740600 DistributedAtomicCorrection (1085.07344s) stopped
T01 >> 1462363394.50747204 Distribute overlap matrix (952.74922s) started
T01 >> 1462363394.50749207 blocked summation (903.96178s) started
T01 << 1462363395.65057111 blocked summation (905.10486s) stopped
T01 >> 1462363395.65204096 Scalapack redistribute (47.46621s) started
T01 << 1462363395.71367788 Scalapack redistribute (47.52784s) stopped
T01 << 1462363395.71375489 Distribute overlap matrix (953.95550s) stopped
T01 >> 1462363395.71436810 Blacs Orbital Layouts (2230.80537s) started
T01 >> 1462363395.71653199 General diagonalize (2185.77193s) started
T01 << 1462363398.40661097 General diagonalize (2188.46200s) stopped
T01 >> 1462363398.40668011 Redistribute coefs (2.49180s) started
T01 << 1462363398.40945196 Redistribute coefs (2.49458s) stopped
T01 >> 1462363398.40953493 Send coefs to domains (41.21180s) started
T01 << 1462363398.46163988 Send coefs to domains (41.26390s) stopped
T01 << 1462363398.46221089 Blacs Orbital Layouts (2233.55321s) stopped
T01 >> 1462363398.46226692 Calculate projections (2020.11703s) started
T01 << 1462363400.90090108 Calculate projections (2022.55566s) stopped
T01 << 1462363400.90098810 LCAO eigensolver (6507.59345s) stopped
T01 >> 1462363400.90174603 Density (1603.09841s) started
T01 >> 1462363400.90175891 Pseudo density (1327.33569s) started
T01 >> 1462363400.90227199 Calculate density matrix (1192.44067s) started
T01 << 1462363402.52786899 Calculate density matrix (1194.06627s) stopped
T01 >> 1462363402.52795196 Construct density (132.96564s) started
T01 << 1462363402.71296501 Construct density (133.15066s) stopped
T01 >> 1462363402.71432495 Symmetrize density (0.03344s) started
T01 << 1462363402.71435809 Symmetrize density (0.03347s) stopped
T01 << 1462363402.71480989 Pseudo density (1329.14875s) stopped
T01 >> 1462363402.71482992 Atomic density matrices (183.12175s) started
T01 << 1462363402.96216893 Atomic density matrices (183.36909s) stopped
T01 >> 1462363402.96220589 Multipole moments (3.01527s) started
T01 << 1462363402.96650410 Multipole moments (3.01956s) stopped
T01 >> 1462363402.96652603 Normalize (0.82559s) started
T01 << 1462363402.96776295 Normalize (0.82682s) stopped
T01 >> 1462363402.96779799 Mix (88.74854s) started
T01 << 1462363403.08838701 Mix (88.86913s) stopped
T01 << 1462363403.08850694 Density (1605.28517s) stopped
T01 >> 1462363403.08861399 Hamiltonian (17982.01279s) started
T01 >> 1462363403.08863401 vbar (10.90940s) started
T01 << 1462363403.10319209 vbar (10.92396s) stopped
T01 >> 1462363403.10326791 XC 3D grid (7794.49183s) started
T01 >> 1462363403.28087497 van der Waals (7524.85120s) started
T01 >> 1462363403.32253098 semilocal (1686.69222s) started
T01 << 1462363405.52665806 semilocal (1688.89635s) stopped
T01 >> 1462363405.55795097 redistribute (810.26139s) started
T01 << 1462363405.95183802 redistribute (810.65528s) stopped
T01 >> 1462363405.95190501 libvdwxc nonlocal (4970.82988s) started
T01 << 1462363412.63180995 libvdwxc nonlocal (4977.50978s) stopped
T01 >> 1462363412.63187003 redistribute (810.65532s) started
T01 << 1462363413.29157996 redistribute (811.31503s) stopped
T01 << 1462363413.29299307 van der Waals (7534.86332s) stopped
T01 << 1462363413.47605300 XC 3D grid (7804.86461s) stopped
T01 >> 1462363413.47609806 Poisson (1559.29441s) started
T01 << 1462363415.84952807 Poisson (1561.66784s) stopped
T01 >> 1462363415.84960389 Hartree integrate/restrict (61.83095s) started
T01 << 1462363415.86883211 Hartree integrate/restrict (61.85018s) stopped
T01 >> 1462363415.86888504 Hartree integrate/restrict (61.85022s) started
T01 << 1462363415.93541789 Hartree integrate/restrict (61.91675s) stopped
T01 >> 1462363415.95298696 Atomic (4780.95605s) started
T01 >> 1462363415.96275401 XC Correction (4771.06550s) started
T01 << 1462363422.14721990 XC Correction (4777.24996s) stopped
T01 << 1462363422.15020108 Atomic (4787.15326s) stopped
T01 >> 1462363422.15030003 Communicate (3758.52187s) started
T01 << 1462363426.89341593 Communicate (3763.26499s) stopped
T01 << 1462363426.89343905 Hamiltonian (18005.81762s) stopped
T01 >> 1462363426.89350390 LCAO eigensolver (6507.59346s) started
T01 >> 1462363426.89351606 Potential matrix (211.75289s) started
T01 << 1462363427.16759610 Potential matrix (212.02697s) stopped
T01 >> 1462363427.16766596 DistributedAtomicCorrection (1085.07347s) started
T01 << 1462363428.52437711 DistributedAtomicCorrection (1086.43018s) stopped
T01 >> 1462363428.52444410 Distribute overlap matrix (953.95551s) started
T01 >> 1462363428.52446604 blocked summation (905.10491s) started
T01 << 1462363429.64939499 blocked summation (906.22983s) stopped
T01 >> 1462363429.65083408 Scalapack redistribute (47.52788s) started
T01 << 1462363429.70799589 Scalapack redistribute (47.58504s) stopped
T01 << 1462363429.70807600 Distribute overlap matrix (955.13915s) stopped
T01 >> 1462363429.70869803 Blacs Orbital Layouts (2233.55323s) started
T01 >> 1462363429.71004605 General diagonalize (2188.46205s) started
T01 << 1462363432.40854192 General diagonalize (2191.16054s) stopped
T01 >> 1462363432.40860701 Redistribute coefs (2.49461s) started
T01 << 1462363432.41246700 Redistribute coefs (2.49847s) stopped
T01 >> 1462363432.41251302 Send coefs to domains (41.26395s) started
T01 << 1462363432.46389890 Send coefs to domains (41.31534s) stopped
T01 << 1462363432.46424890 Blacs Orbital Layouts (2236.30878s) stopped
T01 >> 1462363432.46429896 Calculate projections (2022.55572s) started
T01 << 1462363434.90291095 Calculate projections (2024.99433s) stopped
T01 << 1462363434.90299296 LCAO eigensolver (6515.60295s) stopped
T01 >> 1462363434.90372705 Density (1605.28519s) started
T01 >> 1462363434.90373993 Pseudo density (1329.14876s) started
T01 >> 1462363434.90425706 Calculate density matrix (1194.06631s) started
T01 << 1462363436.52341104 Calculate density matrix (1195.68546s) stopped
T01 >> 1462363436.52350593 Construct density (133.15069s) started
T01 << 1462363436.70898294 Construct density (133.33616s) stopped
T01 >> 1462363436.71033597 Symmetrize density (0.03349s) started
T01 << 1462363436.71036792 Symmetrize density (0.03352s) stopped
T01 << 1462363436.71082306 Pseudo density (1330.95584s) stopped
T01 >> 1462363436.71084189 Atomic density matrices (183.36912s) started
T01 << 1462363436.95742607 Atomic density matrices (183.61570s) stopped
T01 >> 1462363436.95746303 Multipole moments (3.01958s) started
T01 << 1462363436.96176291 Multipole moments (3.02388s) stopped
T01 >> 1462363436.96178508 Normalize (0.82685s) started
T01 << 1462363436.96303296 Normalize (0.82810s) stopped
T01 >> 1462363436.96306896 Mix (88.86925s) started
T01 << 1462363437.08726311 Mix (88.99344s) stopped
T01 << 1462363437.08738899 Density (1607.46885s) stopped
T01 >> 1462363437.08750200 Hamiltonian (18005.81763s) started
T01 >> 1462363437.08752394 vbar (10.92401s) started
T01 << 1462363437.10182691 vbar (10.93831s) stopped
T01 >> 1462363437.10190701 XC 3D grid (7804.86465s) started
T01 >> 1462363437.27945399 van der Waals (7534.86335s) started
T01 >> 1462363437.32205391 semilocal (1688.89643s) started
T01 << 1462363439.54817796 semilocal (1691.12255s) stopped
T01 >> 1462363439.57820797 redistribute (811.31507s) started
T01 << 1462363439.95861506 redistribute (811.69548s) stopped
T01 >> 1462363439.95868707 libvdwxc nonlocal (4977.50982s) started
T01 << 1462363446.63796997 libvdwxc nonlocal (4984.18910s) stopped
T01 >> 1462363446.63806200 redistribute (811.69552s) started
T01 << 1462363447.32454491 redistribute (812.38201s) stopped
T01 << 1462363447.32592797 van der Waals (7544.90982s) stopped
T01 << 1462363447.50109005 XC 3D grid (7815.26383s) stopped
T01 >> 1462363447.50115705 Poisson (1561.66789s) started
T01 << 1462363449.86865091 Poisson (1564.03539s) stopped
T01 >> 1462363449.86875200 Hartree integrate/restrict (61.91679s) started
T01 << 1462363449.88789606 Hartree integrate/restrict (61.93593s) stopped
T01 >> 1462363449.88794398 Hartree integrate/restrict (61.93596s) started
T01 << 1462363449.95085406 Hartree integrate/restrict (61.99887s) stopped
T01 >> 1462363449.96969700 Atomic (4787.15328s) started
T01 >> 1462363449.97956300 XC Correction (4777.24999s) started
T01 << 1462363456.14409995 XC Correction (4783.41452s) stopped
T01 << 1462363456.14711094 Atomic (4793.33069s) stopped
T01 >> 1462363456.14721394 Communicate (3763.26500s) started
T01 << 1462363460.95055008 Communicate (3768.06834s) stopped
T01 << 1462363460.95057297 Hamiltonian (18029.68070s) stopped
T01 >> 1462363460.95063591 LCAO eigensolver (6515.60296s) started
T01 >> 1462363460.95065308 Potential matrix (212.02700s) started
T01 << 1462363461.22360706 Potential matrix (212.29995s) stopped
T01 >> 1462363461.22368312 DistributedAtomicCorrection (1086.43021s) started
T01 << 1462363462.59195709 DistributedAtomicCorrection (1087.79848s) stopped
T01 >> 1462363462.59203100 Distribute overlap matrix (955.13916s) started
T01 >> 1462363462.59205389 blocked summation (906.22988s) started
T01 << 1462363463.71673298 blocked summation (907.35455s) stopped
T01 >> 1462363463.71843505 Scalapack redistribute (47.58508s) started
T01 << 1462363463.77834797 Scalapack redistribute (47.64499s) stopped
T01 << 1462363463.77842808 Distribute overlap matrix (956.32556s) stopped
T01 >> 1462363463.77901101 Blacs Orbital Layouts (2236.30880s) started
T01 >> 1462363463.78036308 General diagonalize (2191.16058s) started
T01 << 1462363466.49366093 General diagonalize (2193.87388s) stopped
T01 >> 1462363466.49372697 Redistribute coefs (2.49851s) started
T01 << 1462363466.49742198 Redistribute coefs (2.50220s) stopped
T01 >> 1462363466.49746895 Send coefs to domains (41.31538s) started
T01 << 1462363466.55314803 Send coefs to domains (41.37106s) stopped
T01 << 1462363466.55352497 Blacs Orbital Layouts (2239.08331s) stopped
T01 >> 1462363466.55358410 Calculate projections (2024.99439s) started
T01 << 1462363468.99230504 Calculate projections (2027.43311s) stopped
T01 << 1462363468.99257708 LCAO eigensolver (6523.64491s) stopped
T01 >> 1462363468.99330091 Density (1607.46887s) started
T01 >> 1462363468.99331403 Pseudo density (1330.95586s) started
T01 >> 1462363468.99383211 Calculate density matrix (1195.68551s) started
T01 << 1462363470.61385012 Calculate density matrix (1197.30553s) stopped
T01 >> 1462363470.61394405 Construct density (133.33619s) started
T01 << 1462363470.79883790 Construct density (133.52109s) stopped
T01 >> 1462363470.80116200 Symmetrize density (0.03353s) started
T01 << 1462363470.80119395 Symmetrize density (0.03356s) stopped
T01 << 1462363470.80164099 Pseudo density (1332.76418s) stopped
T01 >> 1462363470.80166507 Atomic density matrices (183.61573s) started
T01 << 1462363471.04641509 Atomic density matrices (183.86048s) stopped
T01 >> 1462363471.04645705 Multipole moments (3.02390s) started
T01 << 1462363471.05057907 Multipole moments (3.02802s) stopped
T01 >> 1462363471.05060101 Normalize (0.82812s) started
T01 << 1462363471.05182505 Normalize (0.82935s) stopped
T01 >> 1462363471.05186296 Mix (88.99356s) started
T01 << 1462363471.17683506 Mix (89.11853s) stopped
T01 << 1462363471.17693210 Density (1609.65250s) stopped
T01 >> 1462363471.17702699 Hamiltonian (18029.68072s) started
T01 >> 1462363471.17704701 vbar (10.93835s) started
T01 << 1462363471.19201207 vbar (10.95332s) stopped
T01 >> 1462363471.19209409 XC 3D grid (7815.26388s) started
T01 >> 1462363471.37231898 van der Waals (7544.90987s) started
T01 >> 1462363471.41291904 semilocal (1691.12263s) started
T01 << 1462363473.65060496 semilocal (1693.36031s) stopped
T01 >> 1462363473.68102789 redistribute (812.38209s) started
T01 << 1462363474.05333996 redistribute (812.75440s) stopped
T01 >> 1462363474.05340600 libvdwxc nonlocal (4984.18916s) started
T01 << 1462363480.71062708 libvdwxc nonlocal (4990.84638s) stopped
T01 >> 1462363480.71073794 redistribute (812.75443s) started
T01 << 1462363481.38415599 redistribute (813.42785s) stopped
T01 << 1462363481.38574505 van der Waals (7554.92330s) stopped
T01 << 1462363481.55555201 XC 3D grid (7825.62734s) stopped
T01 >> 1462363481.55559707 Poisson (1564.03546s) started
T01 << 1462363483.92882991 Poisson (1566.40870s) stopped
T01 >> 1462363483.92889810 Hartree integrate/restrict (61.99891s) started
T01 << 1462363483.94809008 Hartree integrate/restrict (62.01810s) stopped
T01 >> 1462363483.94813395 Hartree integrate/restrict (62.01813s) started
T01 << 1462363484.00943494 Hartree integrate/restrict (62.07943s) stopped
T01 >> 1462363484.03196597 Atomic (4793.33071s) started
T01 >> 1462363484.04196000 XC Correction (4783.41455s) started
T01 << 1462363490.26463795 XC Correction (4789.63722s) stopped
T01 << 1462363490.26765299 Atomic (4799.56640s) stopped
T01 >> 1462363490.26775289 Communicate (3768.06835s) started
T01 << 1462363495.09794307 Communicate (3772.89854s) stopped
T01 << 1462363495.09796596 Hamiltonian (18053.60165s) stopped
T01 >> 1462363495.09803009 LCAO eigensolver (6523.64492s) started
T01 >> 1462363495.09804296 Potential matrix (212.30000s) started
T01 << 1462363495.37135196 Potential matrix (212.57330s) stopped
T01 >> 1462363495.37142396 DistributedAtomicCorrection (1087.79852s) started
T01 << 1462363496.74439502 DistributedAtomicCorrection (1089.17149s) stopped
T01 >> 1462363496.74446702 Distribute overlap matrix (956.32557s) started
T01 >> 1462363496.74448895 blocked summation (907.35459s) started
T01 << 1462363497.85460305 blocked summation (908.46471s) stopped
T01 >> 1462363497.85691500 Scalapack redistribute (47.64503s) started
T01 << 1462363497.91525888 Scalapack redistribute (47.70337s) stopped
T01 << 1462363497.91533804 Distribute overlap matrix (957.49644s) stopped
T01 >> 1462363497.91593194 Blacs Orbital Layouts (2239.08333s) started
T01 >> 1462363497.91726995 General diagonalize (2193.87391s) started
T01 << 1462363500.64650702 General diagonalize (2196.60315s) stopped
T01 >> 1462363500.64657307 Redistribute coefs (2.50224s) started
T01 << 1462363500.64965391 Redistribute coefs (2.50532s) stopped
T01 >> 1462363500.64970112 Send coefs to domains (41.37110s) started
T01 << 1462363500.70677495 Send coefs to domains (41.42818s) stopped
T01 << 1462363500.70717597 Blacs Orbital Layouts (2241.87458s) stopped
T01 >> 1462363500.70723104 Calculate projections (2027.43317s) started
T01 << 1462363503.14600801 Calculate projections (2029.87194s) stopped
T01 << 1462363503.14644909 LCAO eigensolver (6531.69334s) stopped
T01 >> 1462363503.14714789 Density (1609.65252s) started
T01 >> 1462363503.14716101 Pseudo density (1332.76420s) started
T01 >> 1462363503.14764905 Calculate density matrix (1197.30558s) started
T01 << 1462363504.77766109 Calculate density matrix (1198.93559s) stopped
T01 >> 1462363504.77775192 Construct density (133.52112s) started
T01 << 1462363504.96278596 Construct density (133.70615s) stopped
T01 >> 1462363504.96513104 Symmetrize density (0.03357s) started
T01 << 1462363504.96516395 Symmetrize density (0.03361s) stopped
T01 << 1462363504.96561003 Pseudo density (1334.58265s) stopped
T01 >> 1462363504.96563005 Atomic density matrices (183.86051s) started
T01 << 1462363505.21087694 Atomic density matrices (184.10575s) stopped
T01 >> 1462363505.21091890 Multipole moments (3.02803s) started
T01 << 1462363505.21505809 Multipole moments (3.03217s) stopped
T01 >> 1462363505.21508002 Normalize (0.82938s) started
T01 << 1462363505.21630001 Normalize (0.83060s) stopped
T01 >> 1462363505.21633601 Mix (89.11863s) started
T01 << 1462363505.33965206 Mix (89.24194s) stopped
T01 << 1462363505.33974409 Density (1611.84511s) stopped
T01 >> 1462363505.33985305 Hamiltonian (18053.60167s) started
T01 >> 1462363505.33987308 vbar (10.95336s) started
T01 << 1462363505.35506511 vbar (10.96856s) stopped
T01 >> 1462363505.35515404 XC 3D grid (7825.62737s) started
T01 >> 1462363505.53164005 van der Waals (7554.92335s) started
T01 >> 1462363505.57409501 semilocal (1693.36036s) started
T01 << 1462363507.78832793 semilocal (1695.57459s) stopped
T01 >> 1462363507.81943989 redistribute (813.42803s) started
T01 << 1462363508.20072508 redistribute (813.80931s) stopped
T01 >> 1462363508.20079207 libvdwxc nonlocal (4990.84647s) started
T01 << 1462363514.77513003 libvdwxc nonlocal (4997.42080s) stopped
T01 >> 1462363514.77522206 redistribute (813.80935s) started
T01 << 1462363515.45345807 redistribute (814.48759s) stopped
T01 << 1462363515.45484996 van der Waals (7564.84656s) stopped
T01 << 1462363515.62766695 XC 3D grid (7835.89989s) stopped
T01 >> 1462363515.62772799 Poisson (1566.40875s) started
T01 << 1462363517.99886608 Poisson (1568.77988s) stopped
T01 >> 1462363517.99898601 Hartree integrate/restrict (62.07947s) started
T01 << 1462363518.01599598 Hartree integrate/restrict (62.09648s) stopped
T01 >> 1462363518.01609492 Hartree integrate/restrict (62.09655s) started
T01 << 1462363518.07893610 Hartree integrate/restrict (62.15939s) stopped
T01 >> 1462363518.10050106 Atomic (4799.56641s) started
T01 >> 1462363518.11043000 XC Correction (4789.63725s) started
T01 << 1462363524.33091497 XC Correction (4795.85774s) stopped
T01 << 1462363524.33392096 Atomic (4805.79983s) stopped
T01 >> 1462363524.33402300 Communicate (3772.89856s) started
T01 << 1462363529.08940005 Communicate (3777.65394s) stopped
T01 << 1462363529.08942509 Hamiltonian (18077.35124s) stopped
T01 >> 1462363529.08949399 LCAO eigensolver (6531.69336s) started
T01 >> 1462363529.08950710 Potential matrix (212.57334s) started
T01 << 1462363529.36223793 Potential matrix (212.84607s) stopped
T01 >> 1462363529.36231494 DistributedAtomicCorrection (1089.17152s) started
T01 << 1462363530.74563289 DistributedAtomicCorrection (1090.55484s) stopped
T01 >> 1462363530.74571705 Distribute overlap matrix (957.49645s) started
T01 >> 1462363530.74573994 blocked summation (908.46475s) started
T01 << 1462363531.87078094 blocked summation (909.58979s) stopped
T01 >> 1462363531.87246299 Scalapack redistribute (47.70341s) started
T01 << 1462363531.93095803 Scalapack redistribute (47.76190s) stopped
T01 << 1462363531.93104100 Distribute overlap matrix (958.68177s) stopped
T01 >> 1462363531.93163109 Blacs Orbital Layouts (2241.87459s) started
T01 >> 1462363531.93301296 General diagonalize (2196.60319s) started
T01 << 1462363534.65659595 General diagonalize (2199.32677s) stopped
T01 >> 1462363534.65666509 Redistribute coefs (2.50536s) started
T01 << 1462363534.66026092 Redistribute coefs (2.50895s) stopped
T01 >> 1462363534.66030908 Send coefs to domains (41.42822s) started
T01 << 1462363534.72346210 Send coefs to domains (41.49138s) stopped
T01 << 1462363534.72382402 Blacs Orbital Layouts (2244.66679s) stopped
T01 >> 1462363534.72388005 Calculate projections (2029.87200s) started
T01 << 1462363537.16363192 Calculate projections (2032.31175s) stopped
T01 << 1462363537.16392112 LCAO eigensolver (6539.76779s) stopped
T01 >> 1462363537.16463304 Density (1611.84513s) started
T01 >> 1462363537.16464996 Pseudo density (1334.58267s) started
T01 >> 1462363537.16511512 Calculate density matrix (1198.93563s) started
T01 << 1462363538.80294895 Calculate density matrix (1200.57347s) stopped
T01 >> 1462363538.80304790 Construct density (133.70619s) started
T01 << 1462363538.98899007 Construct density (133.89213s) stopped
T01 >> 1462363538.99038410 Symmetrize density (0.03362s) started
T01 << 1462363538.99041605 Symmetrize density (0.03365s) stopped
T01 << 1462363538.99086690 Pseudo density (1336.40888s) stopped
T01 >> 1462363538.99088693 Atomic density matrices (184.10578s) started
T01 << 1462363539.23604608 Atomic density matrices (184.35094s) stopped
T01 >> 1462363539.23608708 Multipole moments (3.03219s) started
T01 << 1462363539.24025893 Multipole moments (3.03636s) stopped
T01 >> 1462363539.24028206 Normalize (0.83062s) started
T01 << 1462363539.24150991 Normalize (0.83185s) stopped
T01 >> 1462363539.24154401 Mix (89.24203s) started
T01 << 1462363539.36704397 Mix (89.36753s) stopped
T01 << 1462363539.36714005 Density (1614.04764s) stopped
T01 >> 1462363539.36725402 Hamiltonian (18077.35125s) started
T01 >> 1462363539.36727595 vbar (10.96861s) started
T01 << 1462363539.38126802 vbar (10.98260s) stopped
T01 >> 1462363539.38141203 XC 3D grid (7835.89994s) started
T01 >> 1462363539.55557990 van der Waals (7564.84662s) started
T01 >> 1462363539.59650493 semilocal (1695.57470s) started
T01 << 1462363541.81107712 semilocal (1697.78927s) stopped
T01 >> 1462363541.84352398 redistribute (814.48769s) started
T01 << 1462363542.25069094 redistribute (814.89485s) stopped
T01 >> 1462363542.25075793 libvdwxc nonlocal (4997.42087s) started
T01 << 1462363548.79314899 libvdwxc nonlocal (5003.96326s) stopped
T01 >> 1462363548.79324102 redistribute (814.89489s) started
T01 << 1462363549.46924591 redistribute (815.57090s) stopped
T01 << 1462363549.47040510 van der Waals (7574.76145s) stopped
T01 << 1462363549.65076303 XC 3D grid (7846.16929s) stopped
T01 >> 1462363549.65081191 Poisson (1568.77998s) started
T01 << 1462363552.01603699 Poisson (1571.14520s) stopped
T01 >> 1462363552.01611590 Hartree integrate/restrict (62.15942s) started
T01 << 1462363552.03322601 Hartree integrate/restrict (62.17653s) stopped
T01 >> 1462363552.03327489 Hartree integrate/restrict (62.17656s) started
T01 << 1462363552.10123396 Hartree integrate/restrict (62.24452s) stopped
T01 >> 1462363552.11788702 Atomic (4805.79985s) started
T01 >> 1462363552.12773490 XC Correction (4795.85776s) started
T01 << 1462363558.43085289 XC Correction (4802.16088s) stopped
T01 << 1462363558.43382001 Atomic (4812.11578s) stopped
T01 >> 1462363558.43392301 Communicate (3777.65395s) started
T01 << 1462363563.23858309 Communicate (3782.45861s) stopped
T01 << 1462363563.23860788 Hamiltonian (18101.22261s) stopped
T01 >> 1462363563.23868108 LCAO eigensolver (6539.76781s) started
T01 >> 1462363563.23869395 Potential matrix (212.84612s) started
T01 << 1462363563.51175690 Potential matrix (213.11918s) stopped
T01 >> 1462363563.51183295 DistributedAtomicCorrection (1090.55488s) started
T01 << 1462363564.89145708 DistributedAtomicCorrection (1091.93451s) stopped
T01 >> 1462363564.89153504 Distribute overlap matrix (958.68179s) started
T01 >> 1462363564.89155698 blocked summation (909.58983s) started
T01 << 1462363566.01802707 blocked summation (910.71630s) stopped
T01 >> 1462363566.01975107 Scalapack redistribute (47.76194s) started
T01 << 1462363566.07788491 Scalapack redistribute (47.82007s) stopped
T01 << 1462363566.07796788 Distribute overlap matrix (959.86822s) stopped
T01 >> 1462363566.07856202 Blacs Orbital Layouts (2244.66681s) started
T01 >> 1462363566.07983804 General diagonalize (2199.32681s) started
T01 << 1462363568.77414894 General diagonalize (2202.02112s) stopped
T01 >> 1462363568.77421498 Redistribute coefs (2.50899s) started
T01 << 1462363568.77786708 Redistribute coefs (2.51264s) stopped
T01 >> 1462363568.77791405 Send coefs to domains (41.49143s) started
T01 << 1462363568.84225202 Send coefs to domains (41.55576s) stopped
T01 << 1462363568.84262991 Blacs Orbital Layouts (2247.43088s) stopped
T01 >> 1462363568.84268904 Calculate projections (2032.31181s) started
T01 << 1462363571.28224707 Calculate projections (2034.75137s) stopped
T01 << 1462363571.28252006 LCAO eigensolver (6547.81165s) stopped
T01 >> 1462363571.28322792 Density (1614.04766s) started
T01 >> 1462363571.28324103 Pseudo density (1336.40890s) started
T01 >> 1462363571.28371501 Calculate density matrix (1200.57351s) started
T01 << 1462363572.92701411 Calculate density matrix (1202.21681s) stopped
T01 >> 1462363572.92710710 Construct density (133.89216s) started
T01 << 1462363573.11170006 Construct density (134.07676s) stopped
T01 >> 1462363573.11310601 Symmetrize density (0.03366s) started
T01 << 1462363573.11313796 Symmetrize density (0.03369s) stopped
T01 << 1462363573.11358190 Pseudo density (1338.23924s) stopped
T01 >> 1462363573.11360192 Atomic density matrices (184.35097s) started
T01 << 1462363573.35976601 Atomic density matrices (184.59713s) stopped
T01 >> 1462363573.35980797 Multipole moments (3.03637s) started
T01 << 1462363573.36398506 Multipole moments (3.04055s) stopped
T01 >> 1462363573.36400700 Normalize (0.83187s) started
T01 << 1462363573.36522388 Normalize (0.83309s) stopped
T01 >> 1462363573.36525989 Mix (89.36762s) started
T01 << 1462363573.48876095 Mix (89.49112s) stopped
T01 << 1462363573.48887801 Density (1616.25331s) stopped
T01 >> 1462363573.48898602 Hamiltonian (18101.22262s) started
T01 >> 1462363573.48900294 vbar (10.98270s) started
T01 << 1462363573.50362206 vbar (10.99732s) stopped
T01 >> 1462363573.50372696 XC 3D grid (7846.16933s) started
T01 >> 1462363573.67846107 van der Waals (7574.76148s) started
T01 >> 1462363573.72024894 semilocal (1697.78936s) started
T01 << 1462363575.93463707 semilocal (1700.00375s) stopped
T01 >> 1462363575.96537495 redistribute (815.57094s) started
T01 << 1462363576.37149811 redistribute (815.97706s) stopped
T01 >> 1462363576.37156606 libvdwxc nonlocal (5003.96332s) started
T01 << 1462363582.91258407 libvdwxc nonlocal (5010.50434s) stopped
T01 >> 1462363582.91269898 redistribute (815.97710s) started
T01 << 1462363583.58307910 redistribute (816.64748s) stopped
T01 << 1462363583.58429909 van der Waals (7584.66732s) stopped
T01 << 1462363583.76648593 XC 3D grid (7856.43209s) stopped
T01 >> 1462363583.76653504 Poisson (1571.14526s) started
T01 << 1462363585.54749703 Poisson (1572.92622s) stopped
T01 >> 1462363585.54757404 Hartree integrate/restrict (62.24455s) started
T01 << 1462363585.56461906 Hartree integrate/restrict (62.26160s) stopped
T01 >> 1462363585.56468511 Hartree integrate/restrict (62.26164s) started
T01 << 1462363585.63173103 Hartree integrate/restrict (62.32869s) stopped
T01 >> 1462363585.64871407 Atomic (4812.11580s) started
T01 >> 1462363585.65867090 XC Correction (4802.16090s) started
T01 << 1462363591.85770702 XC Correction (4808.35994s) stopped
T01 << 1462363591.86070204 Atomic (4818.32779s) stopped
T01 >> 1462363591.86080289 Communicate (3782.45863s) started
T01 << 1462363596.73306298 Communicate (3787.33089s) stopped
T01 << 1462363596.73308897 Hamiltonian (18124.46672s) stopped
T01 >> 1462363596.73315907 LCAO eigensolver (6547.81167s) started
T01 >> 1462363596.73317194 Potential matrix (213.11922s) started
T01 << 1462363597.00765896 Potential matrix (213.39371s) stopped
T01 >> 1462363597.00773597 DistributedAtomicCorrection (1091.93454s) started
T01 << 1462363598.38438392 DistributedAtomicCorrection (1093.31119s) stopped
T01 >> 1462363598.38446093 Distribute overlap matrix (959.86823s) started
T01 >> 1462363598.38448405 blocked summation (910.71634s) started
T01 << 1462363599.50143600 blocked summation (911.83329s) stopped
T01 >> 1462363599.50300193 Scalapack redistribute (47.82011s) started
T01 << 1462363599.56180000 Scalapack redistribute (47.87891s) stopped
T01 << 1462363599.56188107 Distribute overlap matrix (961.04565s) stopped
T01 >> 1462363599.56246209 Blacs Orbital Layouts (2247.43090s) started
T01 >> 1462363599.56405711 General diagonalize (2202.02116s) started
T01 << 1462363602.30739498 General diagonalize (2204.76449s) stopped
T01 >> 1462363602.30746198 Redistribute coefs (2.51268s) started
T01 << 1462363602.31010890 Redistribute coefs (2.51533s) stopped
T01 >> 1462363602.31016111 Send coefs to domains (41.55581s) started
T01 << 1462363602.37480688 Send coefs to domains (41.62046s) stopped
T01 << 1462363602.37533689 Blacs Orbital Layouts (2250.24377s) stopped
T01 >> 1462363602.37539411 Calculate projections (2034.75142s) started
T01 << 1462363604.81503201 Calculate projections (2037.19106s) stopped
T01 << 1462363604.81530595 LCAO eigensolver (6555.89381s) stopped
T01 >> 1462363604.81602693 Density (1616.25333s) started
T01 >> 1462363604.81604099 Pseudo density (1338.23925s) started
T01 >> 1462363604.81650209 Calculate density matrix (1202.21686s) started
T01 << 1462363606.45785093 Calculate density matrix (1203.85821s) stopped
T01 >> 1462363606.45794702 Construct density (134.07679s) started
T01 << 1462363606.64322805 Construct density (134.26207s) stopped
T01 >> 1462363606.64462805 Symmetrize density (0.03370s) started
T01 << 1462363606.64466310 Symmetrize density (0.03374s) stopped
T01 << 1462363606.64510489 Pseudo density (1340.06832s) stopped
T01 >> 1462363606.64512491 Atomic density matrices (184.59716s) started
T01 << 1462363606.89048004 Atomic density matrices (184.84252s) stopped
T01 >> 1462363606.89054608 Multipole moments (3.04057s) started
T01 << 1462363606.89466810 Multipole moments (3.04469s) stopped
T01 >> 1462363606.89469099 Normalize (0.83311s) started
T01 << 1462363606.89591599 Normalize (0.83434s) stopped
T01 >> 1462363606.89595103 Mix (89.49124s) started
T01 << 1462363607.02069592 Mix (89.61598s) stopped
T01 << 1462363607.02082109 Density (1618.45812s) stopped
T01 >> 1462363607.02093792 Hamiltonian (18124.46674s) started
T01 >> 1462363607.02095890 vbar (10.99738s) started
T01 << 1462363607.03418994 vbar (11.01061s) stopped
T01 >> 1462363607.03429198 XC 3D grid (7856.43212s) started
T01 >> 1462363607.21784401 van der Waals (7584.66735s) started
T01 >> 1462363607.25858307 semilocal (1700.00385s) started
T01 << 1462363609.45965195 semilocal (1702.20492s) stopped
T01 >> 1462363609.49050999 redistribute (816.64752s) started
T01 << 1462363609.88606811 redistribute (817.04308s) stopped
T01 >> 1462363609.88613701 libvdwxc nonlocal (5010.50442s) started
T01 << 1462363616.43134189 libvdwxc nonlocal (5017.04963s) stopped
T01 >> 1462363616.43143392 redistribute (817.04312s) started
T01 << 1462363617.10172701 redistribute (817.71341s) stopped
T01 << 1462363617.10295010 van der Waals (7594.55245s) stopped
T01 << 1462363617.28309703 XC 3D grid (7866.68093s) stopped
T01 >> 1462363617.28314710 Poisson (1572.92628s) started
T01 << 1462363619.05649400 Poisson (1574.69962s) stopped
T01 >> 1462363619.05657792 Hartree integrate/restrict (62.32874s) started
T01 << 1462363619.07376194 Hartree integrate/restrict (62.34592s) stopped
T01 >> 1462363619.07381392 Hartree integrate/restrict (62.34596s) started
T01 << 1462363619.14185405 Hartree integrate/restrict (62.41400s) stopped
T01 >> 1462363619.15965199 Atomic (4818.32781s) started
T01 >> 1462363619.16961503 XC Correction (4808.35996s) started
T01 << 1462363625.40283203 XC Correction (4814.59318s) stopped
T01 << 1462363625.40582705 Atomic (4824.57398s) stopped
T01 >> 1462363625.40592909 Communicate (3787.33091s) started
T01 << 1462363630.12342191 Communicate (3792.04840s) stopped
T01 << 1462363630.12344790 Hamiltonian (18147.56925s) stopped
T01 >> 1462363630.12351799 LCAO eigensolver (6555.89383s) started
T01 >> 1462363630.12353110 Potential matrix (213.39375s) started
T01 << 1462363630.39666796 Potential matrix (213.66688s) stopped
T01 >> 1462363630.39674497 DistributedAtomicCorrection (1093.31123s) started
T01 << 1462363631.77526593 DistributedAtomicCorrection (1094.68975s) stopped
T01 >> 1462363631.77534294 Distribute overlap matrix (961.04566s) started
T01 >> 1462363631.77536511 blocked summation (911.83333s) started
T01 << 1462363632.92366695 blocked summation (912.98163s) stopped
T01 >> 1462363632.92538309 Scalapack redistribute (47.87895s) started
T01 << 1462363632.98377109 Scalapack redistribute (47.93733s) stopped
T01 << 1462363632.98385406 Distribute overlap matrix (962.25418s) stopped
T01 >> 1462363632.98443508 Blacs Orbital Layouts (2250.24379s) started
T01 >> 1462363632.98560309 General diagonalize (2204.76453s) started
T01 << 1462363635.72079992 General diagonalize (2207.49973s) stopped
T01 >> 1462363635.72086501 Redistribute coefs (2.51537s) started
T01 << 1462363635.72353101 Redistribute coefs (2.51803s) stopped
T01 >> 1462363635.72362208 Send coefs to domains (41.62050s) started
T01 << 1462363635.78796792 Send coefs to domains (41.68485s) stopped
T01 << 1462363635.78827310 Blacs Orbital Layouts (2253.04763s) stopped
T01 >> 1462363635.78832889 Calculate projections (2037.19112s) started
T01 << 1462363638.22823000 Calculate projections (2039.63102s) stopped
T01 << 1462363638.22850704 LCAO eigensolver (6563.99882s) stopped
T01 >> 1462363638.22923303 Density (1618.45814s) started
T01 >> 1462363638.22924709 Pseudo density (1340.06833s) started
T01 >> 1462363638.22972202 Calculate density matrix (1203.85825s) started
T01 << 1462363639.86893106 Calculate density matrix (1205.49746s) stopped
T01 >> 1462363639.86902404 Construct density (134.26211s) started
T01 << 1462363640.05498910 Construct density (134.44807s) stopped
T01 >> 1462363640.05638504 Symmetrize density (0.03375s) started
T01 << 1462363640.05641699 Symmetrize density (0.03378s) stopped
T01 << 1462363640.05686998 Pseudo density (1341.89596s) stopped
T01 >> 1462363640.05689001 Atomic density matrices (184.84257s) started
T01 << 1462363640.30186391 Atomic density matrices (185.08754s) stopped
T01 >> 1462363640.30190611 Multipole moments (3.04470s) started
T01 << 1462363640.30608797 Multipole moments (3.04888s) stopped
T01 >> 1462363640.30610991 Normalize (0.83436s) started
T01 << 1462363640.30733109 Normalize (0.83558s) stopped
T01 >> 1462363640.30736709 Mix (89.61610s) started
T01 << 1462363640.42964005 Mix (89.73837s) stopped
T01 << 1462363640.42972803 Density (1620.65864s) stopped
T01 >> 1462363640.42983198 Hamiltonian (18147.56926s) started
T01 >> 1462363640.42985201 vbar (11.01067s) started
T01 << 1462363640.44417191 vbar (11.02499s) stopped
T01 >> 1462363640.44427609 XC 3D grid (7866.68096s) started
T01 >> 1462363640.62078190 van der Waals (7594.55250s) started
T01 >> 1462363640.66312695 semilocal (1702.20500s) started
T01 << 1462363642.88329911 semilocal (1704.42517s) stopped
T01 >> 1462363642.91492701 redistribute (817.71346s) started
T01 << 1462363643.30515599 redistribute (818.10368s) stopped
T01 >> 1462363643.30522394 libvdwxc nonlocal (5017.04969s) started
T01 << 1462363649.88068604 libvdwxc nonlocal (5023.62515s) stopped
T01 >> 1462363649.88077593 redistribute (818.10372s) started
T01 << 1462363650.55217290 redistribute (818.77512s) stopped
T01 << 1462363650.55342507 van der Waals (7604.48515s) stopped
T01 << 1462363650.73186898 XC 3D grid (7876.96856s) stopped
T01 >> 1462363650.73191500 Poisson (1574.69968s) started
T01 << 1462363652.51493192 Poisson (1576.48270s) stopped
T01 >> 1462363652.51500702 Hartree integrate/restrict (62.41404s) started
T01 << 1462363652.53202009 Hartree integrate/restrict (62.43106s) stopped
T01 >> 1462363652.53212190 Hartree integrate/restrict (62.43113s) started
T01 << 1462363652.59475088 Hartree integrate/restrict (62.49376s) stopped
T01 >> 1462363652.61787510 Atomic (4824.57400s) started
T01 >> 1462363652.62780595 XC Correction (4814.59320s) started
T01 << 1462363658.81367302 XC Correction (4820.77907s) stopped
T01 << 1462363658.81668901 Atomic (4830.77281s) stopped
T01 >> 1462363658.81679010 Communicate (3792.04842s) started
T01 << 1462363663.78139997 Communicate (3797.01303s) stopped
T01 << 1462363663.78142595 Hamiltonian (18170.92086s) stopped
T01 >> 1462363663.78149390 LCAO eigensolver (6563.99884s) started
T01 >> 1462363663.78150702 Potential matrix (213.66693s) started
T01 << 1462363664.05411506 Potential matrix (213.93953s) stopped
T01 >> 1462363664.05419111 DistributedAtomicCorrection (1094.68979s) started
T01 << 1462363665.43559599 DistributedAtomicCorrection (1096.07119s) stopped
T01 >> 1462363665.43567801 Distribute overlap matrix (962.25419s) started
T01 >> 1462363665.43570089 blocked summation (912.98167s) started
T01 << 1462363666.53088498 blocked summation (914.07685s) stopped
T01 >> 1462363666.53262591 Scalapack redistribute (47.93737s) started
T01 << 1462363666.59085703 Scalapack redistribute (47.99560s) stopped
T01 << 1462363666.59093904 Distribute overlap matrix (963.40945s) stopped
T01 >> 1462363666.59153199 Blacs Orbital Layouts (2253.04765s) started
T01 >> 1462363666.59267497 General diagonalize (2207.49977s) started
T01 << 1462363669.31160903 General diagonalize (2210.21870s) stopped
T01 >> 1462363669.31167889 Redistribute coefs (2.51807s) started
T01 << 1462363669.31450605 Redistribute coefs (2.52090s) stopped
T01 >> 1462363669.31459594 Send coefs to domains (41.68489s) started
T01 << 1462363669.37858510 Send coefs to domains (41.74888s) stopped
T01 << 1462363669.37889409 Blacs Orbital Layouts (2255.83501s) stopped
T01 >> 1462363669.37895107 Calculate projections (2039.63108s) started
T01 << 1462363671.81885600 Calculate projections (2042.07098s) stopped
T01 << 1462363671.81913710 LCAO eigensolver (6572.03648s) stopped
T01 >> 1462363671.81982493 Density (1620.65865s) started
T01 >> 1462363671.81983805 Pseudo density (1341.89597s) started
T01 >> 1462363671.82032108 Calculate density matrix (1205.49750s) started
T01 << 1462363673.46054912 Calculate density matrix (1207.13773s) stopped
T01 >> 1462363673.46063900 Construct density (134.44811s) started
T01 << 1462363673.64524102 Construct density (134.63271s) stopped
T01 >> 1462363673.64665890 Symmetrize density (0.03379s) started
T01 << 1462363673.64669108 Symmetrize density (0.03383s) stopped
T01 << 1462363673.64713311 Pseudo density (1343.72326s) stopped
T01 >> 1462363673.64715290 Atomic density matrices (185.08757s) started
T01 << 1462363673.89270210 Atomic density matrices (185.33312s) stopped
T01 >> 1462363673.89274406 Multipole moments (3.04890s) started
T01 << 1462363673.89694905 Multipole moments (3.05310s) stopped
T01 >> 1462363673.89697194 Normalize (0.83561s) started
T01 << 1462363673.89819789 Normalize (0.83684s) stopped
T01 >> 1462363673.89823294 Mix (89.73846s) started
T01 << 1462363674.02075791 Mix (89.86098s) stopped
T01 << 1462363674.02084994 Density (1622.85968s) stopped
T01 >> 1462363674.02097011 Hamiltonian (18170.92087s) started
T01 >> 1462363674.02098894 vbar (11.02506s) started
T01 << 1462363674.03558707 vbar (11.03965s) stopped
T01 >> 1462363674.03569603 XC 3D grid (7876.96859s) started
T01 >> 1462363674.20817494 van der Waals (7604.48519s) started
T01 >> 1462363674.24958110 semilocal (1704.42528s) started
T01 << 1462363676.46179104 semilocal (1706.63749s) stopped
T01 >> 1462363676.49361706 redistribute (818.77516s) started
T01 << 1462363676.89220405 redistribute (819.17375s) stopped
T01 >> 1462363676.89227009 libvdwxc nonlocal (5023.62521s) started
T01 << 1462363683.45085192 libvdwxc nonlocal (5030.18380s) stopped
T01 >> 1462363683.45094490 redistribute (819.17379s) started
T01 << 1462363684.12214804 redistribute (819.84499s) stopped
T01 << 1462363684.12337995 van der Waals (7614.40040s) stopped
T01 << 1462363684.30634308 XC 3D grid (7887.23924s) stopped
T01 >> 1462363684.30640411 Poisson (1576.48276s) started
T01 << 1462363685.50190496 Poisson (1577.67826s) stopped
T01 >> 1462363685.50201511 Hartree integrate/restrict (62.49379s) started
T01 << 1462363685.51897001 Hartree integrate/restrict (62.51075s) stopped
T01 >> 1462363685.51906705 Hartree integrate/restrict (62.51082s) started
T01 << 1462363685.58291888 Hartree integrate/restrict (62.57467s) stopped
T01 >> 1462363685.60149193 Atomic (4830.77283s) started
T01 >> 1462363685.61169100 XC Correction (4820.77909s) started
T01 << 1462363691.88826704 XC Correction (4827.05567s) stopped
T01 << 1462363691.89128995 Atomic (4837.06263s) stopped
T01 >> 1462363691.89138794 Communicate (3797.01305s) started
T01 << 1462363696.67300200 Communicate (3801.79466s) stopped
T01 << 1462363696.67302799 Hamiltonian (18193.57292s) stopped
T01 >> 1462363696.67309594 LCAO eigensolver (6572.03650s) started
T01 >> 1462363696.67310905 Potential matrix (213.93958s) started
T01 << 1462363696.94690895 Potential matrix (214.21338s) stopped
T01 >> 1462363696.94698811 DistributedAtomicCorrection (1096.07123s) started
T01 << 1462363698.31720805 DistributedAtomicCorrection (1097.44145s) stopped
T01 >> 1462363698.31728601 Distribute overlap matrix (963.40946s) started
T01 >> 1462363698.31730795 blocked summation (914.07689s) started
T01 << 1462363699.45523405 blocked summation (915.21482s) stopped
T01 >> 1462363699.45696092 Scalapack redistribute (47.99564s) started
T01 << 1462363699.51675606 Scalapack redistribute (48.05544s) stopped
T01 << 1462363699.51684999 Distribute overlap matrix (964.60902s) stopped
T01 >> 1462363699.51743293 Blacs Orbital Layouts (2255.83503s) started
T01 >> 1462363699.51904702 General diagonalize (2210.21875s) started
T01 << 1462363702.23352003 General diagonalize (2212.93322s) stopped
T01 >> 1462363702.23358607 Redistribute coefs (2.52094s) started
T01 << 1462363702.23642612 Redistribute coefs (2.52378s) stopped
T01 >> 1462363702.23647189 Send coefs to domains (41.74893s) started
T01 << 1462363702.30281091 Send coefs to domains (41.81527s) stopped
T01 << 1462363702.30337811 Blacs Orbital Layouts (2258.62097s) stopped
T01 >> 1462363702.30343294 Calculate projections (2042.07104s) started
T01 << 1462363704.74325609 Calculate projections (2044.51086s) stopped
T01 << 1462363704.74353099 LCAO eigensolver (6580.10694s) stopped
T01 << 1462363704.74423194 SCF-cycle (26397.22549s) stopped
T01 >> 1462363705.66821194 Force calculation (1594.19642s) started
T01 >> 1462363705.66827202 LCAO forces (985.78486s) started
T01 >> 1462363705.66862297 Initial (0.00116s) started
T01 << 1462363705.66863394 Initial (0.00117s) stopped
T01 >> 1462363705.67298508 Get density matrix (192.82405s) started
T01 << 1462363706.27516794 Get density matrix (193.42623s) stopped
T01 >> 1462363706.27524805 Potential (71.07450s) started
T01 << 1462363707.73665190 Potential (72.53590s) stopped
T01 >> 1462363707.73671699 Get density matrix (193.42627s) started
T01 << 1462363711.01420093 Get density matrix (196.70376s) stopped
T01 >> 1462363711.01433992 Prepare TCI loop (95.83679s) started
T01 >> 1462363711.01483488 Get neighbors (90.66834s) started
T01 << 1462363712.88229299 Get neighbors (92.53580s) stopped
T01 >> 1462363712.88249803 broadcast dH (5.13258s) started
T01 << 1462363712.89299202 broadcast dH (5.14308s) stopped
T01 << 1462363712.89303589 Prepare TCI loop (97.71549s) stopped
T01 >> 1462363712.89305496 Not so complicated loop (138.10540s) started
T01 << 1462363715.63615298 Not so complicated loop (140.84850s) stopped
T01 >> 1462363715.76195908 Complicated loop (480.82406s) started
T01 << 1462363725.48220706 Complicated loop (490.54431s) stopped
T01 >> 1462363725.49517012 Wait for sum (0.00290s) started
T01 << 1462363725.49521208 Wait for sum (0.00294s) stopped
T01 << 1462363725.49522495 LCAO forces (1005.61181s) stopped
T01 << 1462363739.59366703 Force calculation (1628.12188s) stopped
T01 >> 1462363739.61131811 Initialization (2610.66827s) started
T01 << 1462363739.61149693 Initialization (2610.66845s) stopped
T01 >> 1462363739.61175203 Initialization (2610.66847s) started
T01 << 1462363739.61188197 Initialization (2610.66860s) stopped
T01 >> 1462363739.61201596 Initialization (2610.66861s) started
T01 << 1462363739.61214590 Initialization (2610.66874s) stopped
T01 >> 1462363759.97276092 Initialization (2610.66876s) started
T01 >> 1462363760.04960299 Basic WFS set positions (5.06667s) started
T01 >> 1462363760.04963112 Redistribute (0.09709s) started
T01 << 1462363760.05440903 Redistribute (0.10187s) stopped
T01 << 1462363760.15397501 Basic WFS set positions (5.17105s) stopped
T01 >> 1462363760.15400410 Basis functions set positions (21.51612s) started
T01 << 1462363760.56110406 Basis functions set positions (21.92322s) stopped
T01 >> 1462363760.56258392 TCI: Calculate S, T, P (783.46137s) started
T01 << 1462363775.90816092 TCI: Calculate S, T, P (798.80694s) stopped
T01 >> 1462363775.90825796 blocked summation (210.67998s) started
T01 << 1462363779.93334603 blocked summation (214.70506s) stopped
T01 >> 1462363779.93509102 Scalapack redistribute (12.66962s) started
T01 << 1462363779.99318910 Scalapack redistribute (12.72772s) stopped
T01 >> 1462363779.99359798 blocked summation (214.70511s) started
T01 << 1462363780.20020700 blocked summation (214.91172s) stopped
T01 >> 1462363780.20181608 Scalapack redistribute (12.72778s) started
T01 << 1462363780.40188408 Scalapack redistribute (12.92785s) stopped
T01 >> 1462363780.40333700 Redistribute (0.10427s) started
T01 << 1462363780.40432596 Redistribute (0.10525s) stopped
T01 >> 1462363781.32657099 Redistribute (0.10527s) started
T01 << 1462363781.32764196 Redistribute (0.10634s) stopped
T01 >> 1462363781.33685303 LCAO WFS Initialize (1523.10615s) started
T01 >> 1462363781.33688402 Density initialize from wavefunctions (62.33855s) started
T01 >> 1462363781.33731699 Calculate density matrix (35.96015s) started
T01 << 1462363782.07250690 Calculate density matrix (36.69534s) stopped
T01 >> 1462363782.07257605 Construct density (9.01837s) started
T01 << 1462363782.25778008 Construct density (9.20357s) stopped
T01 >> 1462363782.25940394 Symmetrize density (0.00222s) started
T01 << 1462363782.25943804 Symmetrize density (0.00225s) stopped
T01 << 1462363782.60195589 Density initialize from wavefunctions (63.60362s) stopped
T01 >> 1462363782.60251689 Hamiltonian (1460.54255s) started
T01 >> 1462363782.60254598 vbar (0.76751s) started
T01 << 1462363782.61643100 vbar (0.78140s) stopped
T01 >> 1462363782.61653495 XC 3D grid (535.86646s) started
T01 >> 1462363782.79417992 van der Waals (517.29239s) started
T01 >> 1462363782.83700800 semilocal (115.31889s) started
T01 << 1462363785.05753803 semilocal (117.53942s) stopped
T01 >> 1462363785.09033704 redistribute (55.00687s) started
T01 << 1462363785.48153305 redistribute (55.39806s) stopped
T01 >> 1462363785.48158407 libvdwxc nonlocal (343.04981s) started
T01 << 1462363792.13264203 libvdwxc nonlocal (349.70087s) stopped
T01 >> 1462363792.13270807 redistribute (55.39810s) started
T01 << 1462363792.76782894 redistribute (56.03322s) stopped
T01 << 1462363792.76921797 van der Waals (527.26743s) stopped
T01 << 1462363792.95230508 XC 3D grid (546.20223s) stopped
T01 >> 1462363792.95236802 Poisson (243.64971s) started
T01 << 1462363797.68754196 Poisson (248.38489s) stopped
T01 >> 1462363797.68760395 Hartree integrate/restrict (4.22364s) started
T01 << 1462363797.70656204 Hartree integrate/restrict (4.24259s) stopped
T01 >> 1462363797.70666695 Hartree integrate/restrict (4.24267s) started
T01 << 1462363797.76741195 Hartree integrate/restrict (4.30341s) stopped
T01 >> 1462363797.78540802 Atomic (343.28696s) started
T01 >> 1462363797.79585910 XC Correction (342.59244s) started
T01 << 1462363804.50388193 XC Correction (349.30046s) stopped
T01 << 1462363804.50694203 Atomic (350.00849s) stopped
T01 >> 1462363804.50715399 Communicate (331.62693s) started
T01 << 1462363810.48047709 Communicate (337.60026s) stopped
T01 << 1462363810.48049998 Hamiltonian (1488.42053s) stopped
T01 << 1462363810.48055100 LCAO WFS Initialize (1552.24985s) stopped
T01 << 1462363810.49262905 Initialization (2661.18863s) stopped
T01 >> 1462363810.51776910 SCF-cycle (26397.22550s) started
T01 >> 1462363810.51781011 LCAO eigensolver (6580.10695s) started
T01 >> 1462363810.51782203 Potential matrix (214.21342s) started
T01 << 1462363810.79176092 Potential matrix (214.48736s) stopped
T01 >> 1462363810.79183888 DistributedAtomicCorrection (1097.44149s) started
T01 << 1462363812.17643094 DistributedAtomicCorrection (1098.82608s) stopped
T01 >> 1462363812.17650890 Distribute overlap matrix (964.60904s) started
T01 >> 1462363812.17653203 blocked summation (915.21486s) started
T01 << 1462363813.30266595 blocked summation (916.34099s) stopped
T01 >> 1462363813.30409908 Scalapack redistribute (48.05547s) started
T01 << 1462363813.36573195 Scalapack redistribute (48.11711s) stopped
T01 << 1462363813.36581802 Distribute overlap matrix (965.79835s) stopped
T01 >> 1462363813.36640096 Blacs Orbital Layouts (2258.62099s) started
T01 >> 1462363813.36852789 General diagonalize (2212.93326s) started
T01 << 1462363816.09613705 General diagonalize (2215.66087s) stopped
T01 >> 1462363816.09618711 Redistribute coefs (2.52381s) started
T01 << 1462363816.09942007 Redistribute coefs (2.52705s) stopped
T01 >> 1462363816.09946609 Send coefs to domains (41.81532s) started
T01 << 1462363816.15360093 Send coefs to domains (41.86945s) stopped
T01 << 1462363816.15413690 Blacs Orbital Layouts (2261.40873s) stopped
T01 >> 1462363816.15416789 Calculate projections (2044.51092s) started
T01 << 1462363818.61526608 Calculate projections (2046.97201s) stopped
T01 << 1462363818.61535001 LCAO eigensolver (6588.20449s) stopped
T01 >> 1462363818.61600709 Density (1622.85970s) started
T01 >> 1462363818.61601996 Pseudo density (1343.72328s) started
T01 >> 1462363818.61646509 Calculate density matrix (1207.13778s) started
T01 << 1462363820.21585798 Calculate density matrix (1208.73717s) stopped
T01 >> 1462363820.21592307 Construct density (134.63275s) started
T01 << 1462363820.40130901 Construct density (134.81813s) stopped
T01 >> 1462363820.40277791 Symmetrize density (0.03384s) started
T01 << 1462363820.40281200 Symmetrize density (0.03387s) stopped
T01 << 1462363820.40324903 Pseudo density (1345.51051s) stopped
T01 >> 1462363820.40326905 Atomic density matrices (185.33315s) started
T01 << 1462363820.64731312 Atomic density matrices (185.57719s) stopped
T01 >> 1462363820.64735293 Multipole moments (3.05312s) started
T01 << 1462363820.65146995 Multipole moments (3.05723s) stopped
T01 >> 1462363820.65149307 Normalize (0.83686s) started
T01 << 1462363820.65262198 Normalize (0.83799s) stopped
T01 >> 1462363820.65265894 Mix (89.86107s) started
T01 << 1462363820.76182199 Mix (89.97023s) stopped
T01 << 1462363820.76190400 Density (1625.00559s) stopped
T01 >> 1462363820.76202011 Hamiltonian (18193.57294s) started
T01 >> 1462363820.76204109 vbar (11.03972s) started
T01 << 1462363820.77697206 vbar (11.05465s) stopped
T01 >> 1462363820.77707195 XC 3D grid (7887.23929s) started
T01 >> 1462363820.94847202 van der Waals (7614.40043s) started
T01 >> 1462363820.99210191 semilocal (1706.63762s) started
T01 << 1462363823.18680191 semilocal (1708.83232s) stopped
T01 >> 1462363823.22216892 redistribute (819.84504s) started
T01 << 1462363823.63775992 redistribute (820.26063s) stopped
T01 >> 1462363823.63782811 libvdwxc nonlocal (5030.18386s) started
T01 << 1462363830.36012506 libvdwxc nonlocal (5036.90616s) stopped
T01 >> 1462363830.36019206 redistribute (820.26067s) started
T01 << 1462363830.99691796 redistribute (820.89739s) stopped
T01 << 1462363830.99802589 van der Waals (7624.44998s) stopped
T01 << 1462363831.17979503 XC 3D grid (7897.64201s) stopped
T01 >> 1462363831.17985392 Poisson (1577.67834s) started
T01 << 1462363832.98395991 Poisson (1579.48245s) stopped
T01 >> 1462363832.98408103 Hartree integrate/restrict (62.57470s) started
T01 << 1462363833.00312901 Hartree integrate/restrict (62.59375s) stopped
T01 >> 1462363833.00325990 Hartree integrate/restrict (62.59385s) started
T01 << 1462363833.06481504 Hartree integrate/restrict (62.65540s) stopped
T01 >> 1462363833.08889389 Atomic (4837.06265s) started
T01 >> 1462363833.09893990 XC Correction (4827.05569s) started
T01 << 1462363839.84269691 XC Correction (4833.79945s) stopped
T01 << 1462363839.84567904 Atomic (4843.81943s) stopped
T01 >> 1462363839.84577799 Communicate (3801.79468s) started
T01 << 1462363845.43024206 Communicate (3807.37914s) stopped
T01 << 1462363845.43026495 Hamiltonian (18218.24118s) stopped
T01 >> 1462363845.43033099 LCAO eigensolver (6588.20451s) started
T01 >> 1462363845.43034506 Potential matrix (214.48740s) started
T01 << 1462363845.70314193 Potential matrix (214.76020s) stopped
T01 >> 1462363845.70321703 DistributedAtomicCorrection (1098.82612s) started
T01 << 1462363847.09094405 DistributedAtomicCorrection (1100.21384s) stopped
T01 >> 1462363847.09101892 Distribute overlap matrix (965.79836s) started
T01 >> 1462363847.09104109 blocked summation (916.34103s) started
T01 << 1462363848.22081995 blocked summation (917.47081s) stopped
T01 >> 1462363848.22225595 Scalapack redistribute (48.11714s) started
T01 << 1462363848.28395391 Scalapack redistribute (48.17884s) stopped
T01 << 1462363848.28403497 Distribute overlap matrix (966.99137s) stopped
T01 >> 1462363848.28462005 Blacs Orbital Layouts (2261.40875s) started
T01 >> 1462363848.28598809 General diagonalize (2215.66090s) started
T01 << 1462363851.00367904 General diagonalize (2218.37860s) stopped
T01 >> 1462363851.00373006 Redistribute coefs (2.52708s) started
T01 << 1462363851.00733900 Redistribute coefs (2.53069s) stopped
T01 >> 1462363851.00738502 Send coefs to domains (41.86949s) started
T01 << 1462363851.06160688 Send coefs to domains (41.92371s) stopped
T01 << 1462363851.06193590 Blacs Orbital Layouts (2264.18606s) stopped
T01 >> 1462363851.06198907 Calculate projections (2046.97207s) started
T01 << 1462363853.52302790 Calculate projections (2049.43311s) stopped
T01 << 1462363853.52311110 LCAO eigensolver (6596.29729s) stopped
T01 >> 1462363853.52377391 Density (1625.00561s) started
T01 >> 1462363853.52378702 Pseudo density (1345.51052s) started
T01 >> 1462363853.52423191 Calculate density matrix (1208.73721s) started
T01 << 1462363855.12082005 Calculate density matrix (1210.33380s) stopped
T01 >> 1462363855.12093306 Construct density (134.81817s) started
T01 << 1462363855.30578303 Construct density (135.00302s) stopped
T01 >> 1462363855.30721498 Symmetrize density (0.03388s) started
T01 << 1462363855.30725002 Symmetrize density (0.03392s) stopped
T01 << 1462363855.30768991 Pseudo density (1347.29443s) stopped
T01 >> 1462363855.30770993 Atomic density matrices (185.57722s) started
T01 << 1462363855.55043602 Atomic density matrices (185.81994s) stopped
T01 >> 1462363855.55047703 Multipole moments (3.05725s) started
T01 << 1462363855.55453300 Multipole moments (3.06130s) stopped
T01 >> 1462363855.55455589 Normalize (0.83802s) started
T01 << 1462363855.55571294 Normalize (0.83917s) stopped
T01 >> 1462363855.55574799 Mix (89.97031s) started
T01 << 1462363855.68160510 Mix (90.09617s) stopped
T01 << 1462363855.68169188 Density (1627.16353s) stopped
T01 >> 1462363855.68179107 Hamiltonian (18218.24120s) started
T01 >> 1462363855.68180990 vbar (11.05471s) started
T01 << 1462363855.69662094 vbar (11.06952s) stopped
T01 >> 1462363855.69668603 XC 3D grid (7897.64206s) started
T01 >> 1462363855.87099791 van der Waals (7624.45002s) started
T01 >> 1462363855.91327095 semilocal (1708.83244s) started
T01 << 1462363858.12480307 semilocal (1711.04398s) stopped
T01 >> 1462363858.15495491 redistribute (820.89744s) started
T01 << 1462363858.56936908 redistribute (821.31185s) stopped
T01 >> 1462363858.56943798 libvdwxc nonlocal (5036.90621s) started
T01 << 1462363865.30457592 libvdwxc nonlocal (5043.64135s) stopped
T01 >> 1462363865.30467796 redistribute (821.31189s) started
T01 << 1462363865.94080710 redistribute (821.94802s) stopped
T01 << 1462363865.94186902 van der Waals (7634.52090s) stopped
T01 << 1462363866.12515092 XC 3D grid (7908.07052s) stopped
T01 >> 1462363866.12520099 Poisson (1579.48254s) started
T01 << 1462363867.92539692 Poisson (1581.28274s) stopped
T01 >> 1462363867.92548800 Hartree integrate/restrict (62.65544s) started
T01 << 1462363867.94465303 Hartree integrate/restrict (62.67460s) stopped
T01 >> 1462363867.94470310 Hartree integrate/restrict (62.67464s) started
T01 << 1462363868.00678205 Hartree integrate/restrict (62.73672s) stopped
T01 >> 1462363868.02978396 Atomic (4843.81945s) started
T01 >> 1462363868.03976393 XC Correction (4833.79947s) started
T01 << 1462363874.52332807 XC Correction (4840.28304s) stopped
T01 << 1462363874.52634311 Atomic (4850.31601s) stopped
T01 >> 1462363874.52644491 Communicate (3807.37916s) started
T01 << 1462363879.66760707 Communicate (3812.52032s) stopped
T01 << 1462363879.66763091 Hamiltonian (18242.22704s) stopped
T01 >> 1462363879.66770101 LCAO eigensolver (6596.29730s) started
T01 >> 1462363879.66771412 Potential matrix (214.76024s) started
T01 << 1462363879.94106007 Potential matrix (215.03358s) stopped
T01 >> 1462363879.94113803 DistributedAtomicCorrection (1100.21388s) started
T01 << 1462363881.32269502 DistributedAtomicCorrection (1101.59544s) stopped
T01 >> 1462363881.32277298 Distribute overlap matrix (966.99139s) started
T01 >> 1462363881.32279396 blocked summation (917.47085s) started
T01 << 1462363882.45321608 blocked summation (918.60127s) stopped
T01 >> 1462363882.45464110 Scalapack redistribute (48.17888s) started
T01 << 1462363882.51379299 Scalapack redistribute (48.23803s) stopped
T01 << 1462363882.51387501 Distribute overlap matrix (968.18249s) stopped
T01 >> 1462363882.51446700 Blacs Orbital Layouts (2264.18608s) started
T01 >> 1462363882.51582289 General diagonalize (2218.37864s) started
T01 << 1462363885.23699594 General diagonalize (2221.09981s) stopped
T01 >> 1462363885.23706198 Redistribute coefs (2.53073s) started
T01 << 1462363885.24066496 Redistribute coefs (2.53433s) stopped
T01 >> 1462363885.24071002 Send coefs to domains (41.92376s) started
T01 << 1462363885.29484606 Send coefs to domains (41.97790s) stopped
T01 << 1462363885.29520297 Blacs Orbital Layouts (2266.96682s) stopped
T01 >> 1462363885.29525399 Calculate projections (2049.43317s) started
T01 << 1462363887.75644398 Calculate projections (2051.89436s) stopped
T01 << 1462363887.75652790 LCAO eigensolver (6604.38613s) stopped
T01 >> 1462363887.75730395 Density (1627.16355s) started
T01 >> 1462363887.75731707 Pseudo density (1347.29444s) started
T01 >> 1462363887.75777292 Calculate density matrix (1210.33389s) started
T01 << 1462363889.35952306 Calculate density matrix (1211.93564s) stopped
T01 >> 1462363889.35958791 Construct density (135.00305s) started
T01 << 1462363889.54454803 Construct density (135.18801s) stopped
T01 >> 1462363889.54600191 Symmetrize density (0.03393s) started
T01 << 1462363889.54603601 Symmetrize density (0.03396s) stopped
T01 << 1462363889.54646802 Pseudo density (1349.08359s) stopped
T01 >> 1462363889.54648805 Atomic density matrices (185.81997s) started
T01 << 1462363889.79085493 Atomic density matrices (186.06434s) stopped
T01 >> 1462363889.79089594 Multipole moments (3.06132s) started
T01 << 1462363889.79497504 Multipole moments (3.06540s) stopped
T01 >> 1462363889.79499698 Normalize (0.83920s) started
T01 << 1462363889.79612207 Normalize (0.84033s) stopped
T01 >> 1462363889.79615593 Mix (90.09625s) started
T01 << 1462363889.90966296 Mix (90.20976s) stopped
T01 << 1462363889.90974998 Density (1629.31599s) stopped
T01 >> 1462363889.90984201 Hamiltonian (18242.22705s) started
T01 >> 1462363889.90985990 vbar (11.06956s) started
T01 << 1462363889.92481899 vbar (11.08452s) stopped
T01 >> 1462363889.92490411 XC 3D grid (7908.07056s) started
T01 >> 1462363890.09296393 van der Waals (7634.52094s) started
T01 >> 1462363890.13519692 semilocal (1711.04408s) started
T01 << 1462363892.32937407 semilocal (1713.23825s) stopped
T01 >> 1462363892.36481094 redistribute (821.94807s) started
T01 << 1462363892.78566694 redistribute (822.36893s) stopped
T01 >> 1462363892.78573608 libvdwxc nonlocal (5043.64140s) started
T01 << 1462363899.51953912 libvdwxc nonlocal (5050.37520s) stopped
T01 >> 1462363899.51960897 redistribute (822.36896s) started
T01 << 1462363900.15989089 redistribute (823.00925s) stopped
T01 << 1462363900.16097903 van der Waals (7644.58896s) stopped
T01 << 1462363900.34003901 XC 3D grid (7918.48569s) stopped
T01 >> 1462363900.34008908 Poisson (1581.28281s) started
T01 << 1462363902.72818303 Poisson (1583.67090s) stopped
T01 >> 1462363902.72827291 Hartree integrate/restrict (62.73675s) started
T01 << 1462363902.74727201 Hartree integrate/restrict (62.75575s) stopped
T01 >> 1462363902.74732494 Hartree integrate/restrict (62.75578s) started
T01 << 1462363902.80821800 Hartree integrate/restrict (62.81668s) stopped
T01 >> 1462363902.82814693 Atomic (4850.31602s) started
T01 >> 1462363902.83822989 XC Correction (4840.28306s) started
T01 << 1462363909.08942890 XC Correction (4846.53426s) stopped
T01 << 1462363909.09243703 Atomic (4856.58031s) stopped
T01 >> 1462363909.09253502 Communicate (3812.52033s) started
T01 << 1462363913.99522305 Communicate (3817.42302s) stopped
T01 << 1462363913.99524593 Hamiltonian (18266.31245s) stopped
T01 >> 1462363913.99531293 LCAO eigensolver (6604.38614s) started
T01 >> 1462363913.99532604 Potential matrix (215.03363s) started
T01 << 1462363914.26865292 Potential matrix (215.30695s) stopped
T01 >> 1462363914.26872802 DistributedAtomicCorrection (1101.59548s) started
T01 << 1462363915.64971805 DistributedAtomicCorrection (1102.97647s) stopped
T01 >> 1462363915.64979601 Distribute overlap matrix (968.18250s) started
T01 >> 1462363915.64981794 blocked summation (918.60131s) started
T01 << 1462363916.78033209 blocked summation (919.73182s) stopped
T01 >> 1462363916.78177810 Scalapack redistribute (48.23807s) started
T01 << 1462363916.84439111 Scalapack redistribute (48.30068s) stopped
T01 << 1462363916.84447289 Distribute overlap matrix (969.37718s) stopped
T01 >> 1462363916.84506893 Blacs Orbital Layouts (2266.96684s) started
T01 >> 1462363916.84719801 General diagonalize (2221.09985s) started
T01 << 1462363919.57823801 General diagonalize (2223.83089s) stopped
T01 >> 1462363919.57830501 Redistribute coefs (2.53437s) started
T01 << 1462363919.58155489 Redistribute coefs (2.53762s) stopped
T01 >> 1462363919.58160090 Send coefs to domains (41.97794s) started
T01 << 1462363919.63570189 Send coefs to domains (42.03204s) stopped
T01 << 1462363919.63624692 Blacs Orbital Layouts (2269.75801s) stopped
T01 >> 1462363919.63629889 Calculate projections (2051.89442s) started
T01 << 1462363922.09736800 Calculate projections (2054.35549s) stopped
T01 << 1462363922.09745407 LCAO eigensolver (6612.48828s) stopped
T01 >> 1462363922.09825492 Density (1629.31601s) started
T01 >> 1462363922.09826803 Pseudo density (1349.08361s) started
T01 >> 1462363922.09870791 Calculate density matrix (1211.93568s) started
T01 << 1462363923.70111799 Calculate density matrix (1213.53809s) stopped
T01 >> 1462363923.70120406 Construct density (135.18805s) started
T01 << 1462363923.88653111 Construct density (135.37337s) stopped
T01 >> 1462363923.88794494 Symmetrize density (0.03397s) started
T01 << 1462363923.88797903 Symmetrize density (0.03401s) stopped
T01 << 1462363923.88841200 Pseudo density (1350.87375s) stopped
T01 >> 1462363923.88843203 Atomic density matrices (186.06436s) started
T01 << 1462363924.13257504 Atomic density matrices (186.30851s) stopped
T01 >> 1462363924.13261700 Multipole moments (3.06541s) started
T01 << 1462363924.13670492 Multipole moments (3.06950s) stopped
T01 >> 1462363924.13672805 Normalize (0.84035s) started
T01 << 1462363924.13785601 Normalize (0.84148s) stopped
T01 >> 1462363924.13789010 Mix (90.20984s) started
T01 << 1462363924.25603390 Mix (90.32799s) stopped
T01 << 1462363924.25612712 Density (1631.47388s) stopped
T01 >> 1462363924.25623202 Hamiltonian (18266.31246s) started
T01 >> 1462363924.25625300 vbar (11.08457s) started
T01 << 1462363924.27111506 vbar (11.09943s) stopped
T01 >> 1462363924.27119899 XC 3D grid (7918.48573s) started
T01 >> 1462363924.44828296 van der Waals (7644.58901s) started
T01 >> 1462363924.49215293 semilocal (1713.23836s) started
T01 << 1462363926.69940400 semilocal (1715.44561s) stopped
T01 >> 1462363926.73163891 redistribute (823.00929s) started
T01 << 1462363927.12184191 redistribute (823.39949s) stopped
T01 >> 1462363927.12191105 libvdwxc nonlocal (5050.37525s) started
T01 << 1462363933.82746696 libvdwxc nonlocal (5057.08080s) stopped
T01 >> 1462363933.82752609 redistribute (823.39953s) started
T01 << 1462363934.47842789 redistribute (824.05044s) stopped
T01 << 1462363934.48009109 van der Waals (7654.62082s) stopped
T01 << 1462363934.65200710 XC 3D grid (7928.86654s) stopped
T01 >> 1462363934.65207005 Poisson (1583.67097s) started
T01 << 1462363937.02900410 Poisson (1586.04790s) stopped
T01 >> 1462363937.02912498 Hartree integrate/restrict (62.81671s) started
T01 << 1462363937.04800510 Hartree integrate/restrict (62.83559s) stopped
T01 >> 1462363937.04810810 Hartree integrate/restrict (62.83567s) started
T01 << 1462363937.11513305 Hartree integrate/restrict (62.90269s) stopped
T01 >> 1462363937.12776494 Atomic (4856.58033s) started
T01 >> 1462363937.13783312 XC Correction (4846.53428s) started
T01 << 1462363943.43662190 XC Correction (4852.83307s) stopped
T01 << 1462363943.43961501 Atomic (4862.89218s) stopped
T01 >> 1462363943.43971610 Communicate (3817.42304s) started
T01 << 1462363948.20120001 Communicate (3822.18452s) stopped
T01 << 1462363948.20122290 Hamiltonian (18290.25746s) stopped
T01 >> 1462363948.20129108 LCAO eigensolver (6612.48829s) started
T01 >> 1462363948.20130301 Potential matrix (215.30699s) started
T01 << 1462363948.47498393 Potential matrix (215.58068s) stopped
T01 >> 1462363948.47505689 DistributedAtomicCorrection (1102.97650s) started
T01 << 1462363949.85608411 DistributedAtomicCorrection (1104.35753s) stopped
T01 >> 1462363949.85615897 Distribute overlap matrix (969.37719s) started
T01 >> 1462363949.85618091 blocked summation (919.73186s) started
T01 << 1462363950.97421408 blocked summation (920.84989s) stopped
T01 >> 1462363950.97595406 Scalapack redistribute (48.30072s) started
T01 << 1462363951.03605103 Scalapack redistribute (48.36082s) stopped
T01 << 1462363951.03613210 Distribute overlap matrix (970.55716s) stopped
T01 >> 1462363951.03672004 Blacs Orbital Layouts (2269.75803s) started
T01 >> 1462363951.03830600 General diagonalize (2223.83093s) started
T01 << 1462363953.73747993 General diagonalize (2226.53010s) stopped
T01 >> 1462363953.73754597 Redistribute coefs (2.53765s) started
T01 << 1462363953.74072790 Redistribute coefs (2.54083s) stopped
T01 >> 1462363953.74077511 Send coefs to domains (42.03208s) started
T01 << 1462363953.79553795 Send coefs to domains (42.08685s) stopped
T01 << 1462363953.79610801 Blacs Orbital Layouts (2272.51742s) stopped
T01 >> 1462363953.79615808 Calculate projections (2054.35555s) started
T01 << 1462363956.25733900 Calculate projections (2056.81673s) stopped
T01 << 1462363956.25761700 LCAO eigensolver (6620.54462s) stopped
T01 >> 1462363956.25840998 Density (1631.47390s) started
T01 >> 1462363956.25842309 Pseudo density (1350.87377s) started
T01 >> 1462363956.25887108 Calculate density matrix (1213.53813s) started
T01 << 1462363957.86229897 Calculate density matrix (1215.14156s) stopped
T01 >> 1462363957.86238694 Construct density (135.37341s) started
T01 << 1462363958.04716492 Construct density (135.55819s) stopped
T01 >> 1462363958.04950905 Symmetrize density (0.03402s) started
T01 << 1462363958.04954290 Symmetrize density (0.03405s) stopped
T01 << 1462363958.04998493 Pseudo density (1352.66533s) stopped
T01 >> 1462363958.05000496 Atomic density matrices (186.30854s) started
T01 << 1462363958.29336691 Atomic density matrices (186.55190s) stopped
T01 >> 1462363958.29340911 Multipole moments (3.06952s) started
T01 << 1462363958.29748797 Multipole moments (3.07359s) stopped
T01 >> 1462363958.29751110 Normalize (0.84150s) started
T01 << 1462363958.29863310 Normalize (0.84262s) stopped
T01 >> 1462363958.29867101 Mix (90.32807s) started
T01 << 1462363958.41934490 Mix (90.44875s) stopped
T01 << 1462363958.41942906 Density (1633.63492s) stopped
T01 >> 1462363958.41953206 Hamiltonian (18290.25747s) started
T01 >> 1462363958.41955090 vbar (11.09948s) started
T01 << 1462363958.43421698 vbar (11.11414s) stopped
T01 >> 1462363958.43430090 XC 3D grid (7928.86659s) started
T01 >> 1462363958.60392690 van der Waals (7654.62090s) started
T01 >> 1462363958.64684105 semilocal (1715.44576s) started
T01 << 1462363960.86478806 semilocal (1717.66370s) stopped
T01 >> 1462363960.89570689 redistribute (824.05055s) started
T01 << 1462363961.30168796 redistribute (824.45653s) stopped
T01 >> 1462363961.30175591 libvdwxc nonlocal (5057.08084s) started
T01 << 1462363968.01186299 libvdwxc nonlocal (5063.79095s) stopped
T01 >> 1462363968.01195002 redistribute (824.45657s) started
T01 << 1462363968.66276193 redistribute (825.10738s) stopped
T01 << 1462363968.66441798 van der Waals (7664.68139s) stopped
T01 << 1462363968.83537006 XC 3D grid (7939.26766s) stopped
T01 >> 1462363968.83541894 Poisson (1586.04799s) started
T01 << 1462363971.21365809 Poisson (1588.42623s) stopped
T01 >> 1462363971.21372509 Hartree integrate/restrict (62.90274s) started
T01 << 1462363971.23294497 Hartree integrate/restrict (62.92196s) stopped
T01 >> 1462363971.23299408 Hartree integrate/restrict (62.92200s) started
T01 << 1462363971.29559708 Hartree integrate/restrict (62.98460s) stopped
T01 >> 1462363971.31330609 Atomic (4862.89220s) started
T01 >> 1462363971.32340193 XC Correction (4852.83310s) started
T01 << 1462363977.61349797 XC Correction (4859.12320s) stopped
T01 << 1462363977.61649799 Atomic (4869.19539s) stopped
T01 >> 1462363977.61659908 Communicate (3822.18454s) started
T01 << 1462363982.40421200 Communicate (3826.97215s) stopped
T01 << 1462363982.40423489 Hamiltonian (18314.24217s) stopped
T01 >> 1462363982.40429902 LCAO eigensolver (6620.54464s) started
T01 >> 1462363982.40431190 Potential matrix (215.58071s) started
T01 << 1462363982.67823601 Potential matrix (215.85464s) stopped
T01 >> 1462363982.67830992 DistributedAtomicCorrection (1104.35757s) started
T01 << 1462363984.06606698 DistributedAtomicCorrection (1105.74532s) stopped
T01 >> 1462363984.06614208 Distribute overlap matrix (970.55717s) started
T01 >> 1462363984.06616402 blocked summation (920.84993s) started
T01 << 1462363985.17835093 blocked summation (921.96212s) stopped
T01 >> 1462363985.18010402 Scalapack redistribute (48.36085s) started
T01 << 1462363985.24034405 Scalapack redistribute (48.42109s) stopped
T01 << 1462363985.24042892 Distribute overlap matrix (971.73146s) stopped
T01 >> 1462363985.24102807 Blacs Orbital Layouts (2272.51744s) started
T01 >> 1462363985.24217892 General diagonalize (2226.53014s) started
T01 << 1462363987.95742512 General diagonalize (2229.24538s) stopped
T01 >> 1462363987.95749092 Redistribute coefs (2.54087s) started
T01 << 1462363987.96119690 Redistribute coefs (2.54458s) stopped
T01 >> 1462363987.96124697 Send coefs to domains (42.08689s) started
T01 << 1462363988.01553798 Send coefs to domains (42.14118s) stopped
T01 << 1462363988.01588297 Blacs Orbital Layouts (2275.29229s) stopped
T01 >> 1462363988.01593709 Calculate projections (2056.81679s) started
T01 << 1462363990.47696090 Calculate projections (2059.27781s) stopped
T01 << 1462363990.47723794 LCAO eigensolver (6628.61758s) stopped
T01 >> 1462363990.47795200 Density (1633.63494s) started
T01 >> 1462363990.47796512 Pseudo density (1352.66534s) started
T01 >> 1462363990.47841191 Calculate density matrix (1215.14160s) started
T01 << 1462363992.08815002 Calculate density matrix (1216.75134s) stopped
T01 >> 1462363992.08824110 Construct density (135.55822s) started
T01 << 1462363992.27316904 Construct density (135.74315s) stopped
T01 >> 1462363992.27551007 Symmetrize density (0.03407s) started
T01 << 1462363992.27554393 Symmetrize density (0.03410s) stopped
T01 << 1462363992.27598596 Pseudo density (1354.46336s) stopped
T01 >> 1462363992.27600598 Atomic density matrices (186.55193s) started
T01 << 1462363992.51939011 Atomic density matrices (186.79531s) stopped
T01 >> 1462363992.51943111 Multipole moments (3.07361s) started
T01 << 1462363992.52348995 Multipole moments (3.07767s) stopped
T01 >> 1462363992.52351308 Normalize (0.84265s) started
T01 << 1462363992.52463603 Normalize (0.84378s) stopped
T01 >> 1462363992.52467394 Mix (90.44883s) started
T01 << 1462363992.64597511 Mix (90.57013s) stopped
T01 << 1462363992.64606094 Density (1635.80305s) stopped
T01 >> 1462363992.64616203 Hamiltonian (18314.24218s) started
T01 >> 1462363992.64618206 vbar (11.11419s) started
T01 << 1462363992.66096997 vbar (11.12898s) stopped
T01 >> 1462363992.66106391 XC 3D grid (7939.26769s) started
T01 >> 1462363992.83049107 van der Waals (7664.68149s) started
T01 >> 1462363992.87296700 semilocal (1717.66386s) started
T01 << 1462363995.09134197 semilocal (1719.88223s) stopped
T01 >> 1462363995.12278795 redistribute (825.10747s) started
T01 << 1462363995.51871896 redistribute (825.50340s) stopped
T01 >> 1462363995.51878691 libvdwxc nonlocal (5063.79101s) started
T01 << 1462364002.21768093 libvdwxc nonlocal (5070.48990s) stopped
T01 >> 1462364002.21776509 redistribute (825.50344s) started
T01 << 1462364002.87116790 redistribute (826.15684s) stopped
T01 << 1462364002.87292504 van der Waals (7674.72392s) stopped
T01 << 1462364003.04620004 XC 3D grid (7949.65283s) stopped
T01 >> 1462364003.04625106 Poisson (1588.42628s) started
T01 << 1462364005.42832708 Poisson (1590.80836s) stopped
T01 >> 1462364005.42840695 Hartree integrate/restrict (62.98463s) started
T01 << 1462364005.44726706 Hartree integrate/restrict (63.00349s) stopped
T01 >> 1462364005.44732404 Hartree integrate/restrict (63.00353s) started
T01 << 1462364005.51522708 Hartree integrate/restrict (63.07143s) stopped
T01 >> 1462364005.53210211 Atomic (4869.19541s) started
T01 >> 1462364005.54235101 XC Correction (4859.12322s) started
T01 << 1462364011.89980006 XC Correction (4865.48067s) stopped
T01 << 1462364011.90283108 Atomic (4875.56613s) stopped
T01 >> 1462364011.90293288 Communicate (3826.97217s) started
T01 << 1462364016.62284493 Communicate (3831.69208s) stopped
T01 << 1462364016.62286901 Hamiltonian (18338.21889s) stopped
T01 >> 1462364016.62293410 LCAO eigensolver (6628.61760s) started
T01 >> 1462364016.62294698 Potential matrix (215.85468s) started
T01 << 1462364016.89533997 Potential matrix (216.12707s) stopped
T01 >> 1462364016.89541507 DistributedAtomicCorrection (1105.74536s) started
T01 << 1462364018.29603004 DistributedAtomicCorrection (1107.14598s) stopped
T01 >> 1462364018.29610705 Distribute overlap matrix (971.73147s) started
T01 >> 1462364018.29612899 blocked summation (921.96219s) started
T01 << 1462364019.38576198 blocked summation (923.05182s) stopped
T01 >> 1462364019.38751793 Scalapack redistribute (48.42113s) started
T01 << 1462364019.44678903 Scalapack redistribute (48.48040s) stopped
T01 << 1462364019.44687104 Distribute overlap matrix (972.88224s) stopped
T01 >> 1462364019.44745588 Blacs Orbital Layouts (2275.29231s) started
T01 >> 1462364019.44859791 General diagonalize (2229.24542s) started
T01 << 1462364022.16900492 General diagonalize (2231.96583s) stopped
T01 >> 1462364022.16907191 Redistribute coefs (2.54462s) started
T01 << 1462364022.17269111 Redistribute coefs (2.54824s) stopped
T01 >> 1462364022.17273808 Send coefs to domains (42.14122s) started
T01 << 1462364022.22747302 Send coefs to domains (42.19596s) stopped
T01 << 1462364022.22782898 Blacs Orbital Layouts (2278.07268s) stopped
T01 >> 1462364022.22788095 Calculate projections (2059.27787s) started
T01 << 1462364024.68881989 Calculate projections (2061.73881s) stopped
T01 << 1462364024.68909788 LCAO eigensolver (6636.68376s) stopped
T01 >> 1462364024.68981504 Density (1635.80306s) started
T01 >> 1462364024.68982792 Pseudo density (1354.46338s) started
T01 >> 1462364024.69026899 Calculate density matrix (1216.75138s) started
T01 << 1462364026.31579304 Calculate density matrix (1218.37691s) stopped
T01 >> 1462364026.31588197 Construct density (135.74318s) started
T01 << 1462364026.50054502 Construct density (135.92785s) stopped
T01 >> 1462364026.50289011 Symmetrize density (0.03411s) started
T01 << 1462364026.50292397 Symmetrize density (0.03414s) stopped
T01 << 1462364026.50335503 Pseudo density (1356.27691s) stopped
T01 >> 1462364026.50337505 Atomic density matrices (186.79534s) started
T01 << 1462364026.74698091 Atomic density matrices (187.03894s) stopped
T01 >> 1462364026.74702191 Multipole moments (3.07769s) started
T01 << 1462364026.75106812 Multipole moments (3.08173s) stopped
T01 >> 1462364026.75109100 Normalize (0.84380s) started
T01 << 1462364026.75222397 Normalize (0.84494s) stopped
T01 >> 1462364026.75225711 Mix (90.57021s) started
T01 << 1462364026.87445402 Mix (90.69241s) stopped
T01 << 1462364026.87454200 Density (1637.98779s) stopped
T01 >> 1462364026.87465096 Hamiltonian (18338.21890s) started
T01 >> 1462364026.87467098 vbar (11.12903s) started
T01 << 1462364026.88959694 vbar (11.14396s) stopped
T01 >> 1462364026.88968897 XC 3D grid (7949.65287s) started
T01 >> 1462364027.06830907 van der Waals (7674.72404s) started
T01 >> 1462364027.11169696 semilocal (1719.88231s) started
T01 << 1462364029.33283806 semilocal (1722.10345s) stopped
T01 >> 1462364029.36377597 redistribute (826.15697s) started
T01 << 1462364029.74975896 redistribute (826.54295s) stopped
T01 >> 1462364029.74982691 libvdwxc nonlocal (5070.48996s) started
T01 << 1462364036.45613790 libvdwxc nonlocal (5077.19627s) stopped
T01 >> 1462364036.45619798 redistribute (826.54299s) started
T01 << 1462364037.10332108 redistribute (827.19011s) stopped
T01 << 1462364037.10480690 van der Waals (7684.76054s) stopped
T01 << 1462364037.28230405 XC 3D grid (7960.04548s) stopped
T01 >> 1462364037.28235197 Poisson (1590.80842s) started
T01 << 1462364039.07908893 Poisson (1592.60515s) stopped
T01 >> 1462364039.07915497 Hartree integrate/restrict (63.07147s) started
T01 << 1462364039.09824800 Hartree integrate/restrict (63.09056s) stopped
T01 >> 1462364039.09832311 Hartree integrate/restrict (63.09061s) started
T01 << 1462364039.16011691 Hartree integrate/restrict (63.15241s) stopped
T01 >> 1462364039.18387699 Atomic (4875.56615s) started
T01 >> 1462364039.19412804 XC Correction (4865.48069s) started
T01 << 1462364045.54745793 XC Correction (4871.83402s) stopped
T01 << 1462364045.55047011 Atomic (4881.93274s) stopped
T01 >> 1462364045.55057096 Communicate (3831.69210s) started
T01 << 1462364050.22972798 Communicate (3836.37125s) stopped
T01 << 1462364050.22976899 Hamiltonian (18361.57402s) stopped
T01 >> 1462364050.22983408 LCAO eigensolver (6636.68378s) started
T01 >> 1462364050.22984600 Potential matrix (216.12711s) started
T01 << 1462364050.50396609 Potential matrix (216.40123s) stopped
T01 >> 1462364050.50404191 DistributedAtomicCorrection (1107.14601s) started
T01 << 1462364051.89978099 DistributedAtomicCorrection (1108.54175s) stopped
T01 >> 1462364051.89985704 Distribute overlap matrix (972.88225s) started
T01 >> 1462364051.89987898 blocked summation (923.05186s) started
T01 << 1462364053.02168798 blocked summation (924.17367s) stopped
T01 >> 1462364053.02352309 Scalapack redistribute (48.48044s) started
T01 << 1462364053.08259892 Scalapack redistribute (48.53951s) stopped
T01 << 1462364053.08268690 Distribute overlap matrix (974.06508s) stopped
T01 >> 1462364053.08326793 Blacs Orbital Layouts (2278.07270s) started
T01 >> 1462364053.08441710 General diagonalize (2231.96587s) started
T01 << 1462364055.82833409 General diagonalize (2234.70978s) stopped
T01 >> 1462364055.82840109 Redistribute coefs (2.54827s) started
T01 << 1462364055.83189297 Redistribute coefs (2.55176s) stopped
T01 >> 1462364055.83194089 Send coefs to domains (42.19600s) started
T01 << 1462364055.88149190 Send coefs to domains (42.24555s) stopped
T01 << 1462364055.88177800 Blacs Orbital Layouts (2280.87121s) stopped
T01 >> 1462364055.88182902 Calculate projections (2061.73886s) started
T01 << 1462364058.34200096 Calculate projections (2064.19903s) stopped
T01 << 1462364058.34228206 LCAO eigensolver (6644.79623s) stopped
T01 >> 1462364058.34320807 Density (1637.98781s) started
T01 >> 1462364058.34322095 Pseudo density (1356.27692s) started
T01 >> 1462364058.34368491 Calculate density matrix (1218.37695s) started
T01 << 1462364059.94189095 Calculate density matrix (1219.97516s) stopped
T01 >> 1462364059.94198203 Construct density (135.92788s) started
T01 << 1462364060.12729502 Construct density (136.11319s) stopped
T01 >> 1462364060.12891102 Symmetrize density (0.03416s) started
T01 << 1462364060.12894297 Symmetrize density (0.03419s) stopped
T01 << 1462364060.12937498 Pseudo density (1358.06307s) stopped
T01 >> 1462364060.12939501 Atomic density matrices (187.03897s) started
T01 << 1462364060.37256098 Atomic density matrices (187.28214s) stopped
T01 >> 1462364060.37260199 Multipole moments (3.08175s) started
T01 << 1462364060.37670398 Multipole moments (3.08585s) stopped
T01 >> 1462364060.37672710 Normalize (0.84496s) started
T01 << 1462364060.37785506 Normalize (0.84609s) stopped
T01 >> 1462364060.37788892 Mix (90.69249s) started
T01 << 1462364060.50121188 Mix (90.81582s) stopped
T01 << 1462364060.50131893 Density (1640.14592s) stopped
T01 >> 1462364060.50143790 Hamiltonian (18361.57404s) started
T01 >> 1462364060.50145888 vbar (11.14401s) started
T01 << 1462364060.51600599 vbar (11.15856s) stopped
T01 >> 1462364060.51608801 XC 3D grid (7960.04552s) started
T01 >> 1462364060.69357491 van der Waals (7684.76066s) started
T01 >> 1462364060.73761296 semilocal (1722.10354s) started
T01 << 1462364062.96281791 semilocal (1724.32875s) stopped
T01 >> 1462364062.99319196 redistribute (827.19023s) started
T01 << 1462364063.37911391 redistribute (827.57615s) stopped
T01 >> 1462364063.37918210 libvdwxc nonlocal (5077.19630s) started
T01 << 1462364070.08852696 libvdwxc nonlocal (5083.90565s) stopped
T01 >> 1462364070.08861494 redistribute (827.57619s) started
T01 << 1462364070.72969890 redistribute (828.21727s) stopped
T01 << 1462364070.73067594 van der Waals (7694.79776s) stopped
T01 << 1462364070.91195297 XC 3D grid (7970.44138s) stopped
T01 >> 1462364070.91200995 Poisson (1592.60520s) started
T01 << 1462364072.69351292 Poisson (1594.38670s) stopped
T01 >> 1462364072.69362903 Hartree integrate/restrict (63.15244s) started
T01 << 1462364072.71256804 Hartree integrate/restrict (63.17138s) stopped
T01 >> 1462364072.71263790 Hartree integrate/restrict (63.17143s) started
T01 << 1462364072.77488899 Hartree integrate/restrict (63.23368s) stopped
T01 >> 1462364072.79253292 Atomic (4881.93276s) started
T01 >> 1462364072.80270004 XC Correction (4871.83404s) started
T01 << 1462364079.20138192 XC Correction (4878.23273s) stopped
T01 << 1462364079.20437908 Atomic (4888.34461s) stopped
T01 >> 1462364079.20447993 Communicate (3836.37128s) started
T01 << 1462364083.80446005 Communicate (3840.97127s) stopped
T01 << 1462364083.80448294 Hamiltonian (18384.87708s) stopped
T01 >> 1462364083.80454993 LCAO eigensolver (6644.79625s) started
T01 >> 1462364083.80456305 Potential matrix (216.40127s) started
T01 << 1462364084.08022809 Potential matrix (216.67694s) stopped
T01 >> 1462364084.08030391 DistributedAtomicCorrection (1108.54179s) started
T01 << 1462364085.47296906 DistributedAtomicCorrection (1109.93445s) stopped
T01 >> 1462364085.47304511 Distribute overlap matrix (974.06509s) started
T01 >> 1462364085.47306705 blocked summation (924.17370s) started
T01 << 1462364086.59684992 blocked summation (925.29749s) stopped
T01 >> 1462364086.59861302 Scalapack redistribute (48.53955s) started
T01 << 1462364086.65865111 Scalapack redistribute (48.59959s) stopped
T01 << 1462364086.65873289 Distribute overlap matrix (975.25078s) stopped
T01 >> 1462364086.65932393 Blacs Orbital Layouts (2280.87123s) started
T01 >> 1462364086.66055799 General diagonalize (2234.70982s) started
T01 << 1462364089.33141994 General diagonalize (2237.38068s) stopped
T01 >> 1462364089.33148599 Redistribute coefs (2.55180s) started
T01 << 1462364089.33495307 Redistribute coefs (2.55527s) stopped
T01 >> 1462364089.33499908 Send coefs to domains (42.24560s) started
T01 << 1462364089.38470292 Send coefs to domains (42.29530s) stopped
T01 << 1462364089.38499498 Blacs Orbital Layouts (2283.59690s) stopped
T01 >> 1462364089.38504601 Calculate projections (2064.19909s) started
T01 << 1462364091.84536195 Calculate projections (2066.65941s) stopped
T01 << 1462364091.84564710 LCAO eigensolver (6652.83734s) stopped
T01 >> 1462364091.84638190 Density (1640.14594s) started
T01 >> 1462364091.84639597 Pseudo density (1358.06309s) started
T01 >> 1462364091.84686804 Calculate density matrix (1219.97520s) started
T01 << 1462364093.44691110 Calculate density matrix (1221.57524s) stopped
T01 >> 1462364093.44700098 Construct density (136.11323s) started
T01 << 1462364093.63218188 Construct density (136.29841s) stopped
T01 >> 1462364093.63361907 Symmetrize density (0.03420s) started
T01 << 1462364093.63365507 Symmetrize density (0.03424s) stopped
T01 << 1462364093.63408589 Pseudo density (1359.85078s) stopped
T01 >> 1462364093.63410592 Atomic density matrices (187.28217s) started
T01 << 1462364093.87784290 Atomic density matrices (187.52590s) stopped
T01 >> 1462364093.87788510 Multipole moments (3.08587s) started
T01 << 1462364093.88195992 Multipole moments (3.08994s) stopped
T01 >> 1462364093.88198304 Normalize (0.84611s) started
T01 << 1462364093.88309908 Normalize (0.84723s) stopped
T01 >> 1462364093.88313389 Mix (90.81592s) started
T01 << 1462364094.00366402 Mix (90.93645s) stopped
T01 << 1462364094.00376105 Density (1642.30332s) stopped
T01 >> 1462364094.00387597 Hamiltonian (18384.87709s) started
T01 >> 1462364094.00389791 vbar (11.15861s) started
T01 << 1462364094.01760411 vbar (11.17231s) stopped
T01 >> 1462364094.01769209 XC 3D grid (7970.44143s) started
T01 >> 1462364094.19450212 van der Waals (7694.79780s) started
T01 >> 1462364094.23656607 semilocal (1724.32885s) started
T01 << 1462364096.46475101 semilocal (1726.55704s) stopped
T01 >> 1462364096.49631190 redistribute (828.21731s) started
T01 << 1462364096.87543392 redistribute (828.59643s) stopped
T01 >> 1462364096.87550092 libvdwxc nonlocal (5083.90571s) started
T01 << 1462364103.56429410 libvdwxc nonlocal (5090.59450s) stopped
T01 >> 1462364103.56435490 redistribute (828.59647s) started
T01 << 1462364104.19966006 redistribute (829.23177s) stopped
T01 << 1462364104.20068097 van der Waals (7704.80397s) stopped
T01 << 1462364104.38007903 XC 3D grid (7980.80381s) stopped
T01 >> 1462364104.38012409 Poisson (1594.38679s) started
T01 << 1462364106.15319896 Poisson (1596.15987s) stopped
T01 >> 1462364106.15333200 Hartree integrate/restrict (63.23371s) started
T01 << 1462364106.17216110 Hartree integrate/restrict (63.25254s) stopped
T01 >> 1462364106.17221594 Hartree integrate/restrict (63.25258s) started
T01 << 1462364106.23437905 Hartree integrate/restrict (63.31474s) stopped
T01 >> 1462364106.25576091 Atomic (4888.34462s) started
T01 >> 1462364106.26590610 XC Correction (4878.23275s) started
T01 << 1462364112.59069896 XC Correction (4884.55754s) stopped
T01 << 1462364112.59370494 Atomic (4894.68257s) stopped
T01 >> 1462364112.59380603 Communicate (3840.97128s) started
T01 << 1462364117.35472608 Communicate (3845.73220s) stopped
T01 << 1462364117.35474801 Hamiltonian (18408.22797s) stopped
T01 >> 1462364117.35481405 LCAO eigensolver (6652.83736s) started
T01 >> 1462364117.35482597 Potential matrix (216.67698s) started
T01 << 1462364117.62771797 Potential matrix (216.94987s) stopped
T01 >> 1462364117.62779403 DistributedAtomicCorrection (1109.93449s) started
T01 << 1462364119.02194905 DistributedAtomicCorrection (1111.32865s) stopped
T01 >> 1462364119.02202392 Distribute overlap matrix (975.25079s) started
T01 >> 1462364119.02204609 blocked summation (925.29752s) started
T01 << 1462364120.14401698 blocked summation (926.41950s) stopped
T01 >> 1462364120.14577889 Scalapack redistribute (48.59963s) started
T01 << 1462364120.20611000 Scalapack redistribute (48.65996s) stopped
T01 << 1462364120.20619297 Distribute overlap matrix (976.43496s) stopped
T01 >> 1462364120.20679998 Blacs Orbital Layouts (2283.59692s) started
T01 >> 1462364120.20794106 General diagonalize (2237.38072s) started
T01 << 1462364122.89440107 General diagonalize (2240.06718s) stopped
T01 >> 1462364122.89446807 Redistribute coefs (2.55530s) started
T01 << 1462364122.89801693 Redistribute coefs (2.55885s) stopped
T01 >> 1462364122.89806390 Send coefs to domains (42.29534s) started
T01 << 1462364122.94749904 Send coefs to domains (42.34478s) stopped
T01 << 1462364122.94777894 Blacs Orbital Layouts (2286.33790s) stopped
T01 >> 1462364122.94782710 Calculate projections (2066.65947s) started
T01 << 1462364125.40781593 Calculate projections (2069.11945s) stopped
T01 << 1462364125.40809703 LCAO eigensolver (6660.89064s) stopped
T01 >> 1462364125.40884304 Density (1642.30334s) started
T01 >> 1462364125.40885711 Pseudo density (1359.85079s) started
T01 >> 1462364125.40931392 Calculate density matrix (1221.57528s) started
T01 << 1462364127.00922704 Calculate density matrix (1223.17520s) stopped
T01 >> 1462364127.00931811 Construct density (136.29844s) started
T01 << 1462364127.19413710 Construct density (136.48326s) stopped
T01 >> 1462364127.19558692 Symmetrize density (0.03425s) started
T01 << 1462364127.19562006 Symmetrize density (0.03428s) stopped
T01 << 1462364127.19605994 Pseudo density (1361.63800s) stopped
T01 >> 1462364127.19607902 Atomic density matrices (187.52593s) started
T01 << 1462364127.44059801 Atomic density matrices (187.77045s) stopped
T01 >> 1462364127.44063902 Multipole moments (3.08995s) started
T01 << 1462364127.44474292 Multipole moments (3.09406s) stopped
T01 >> 1462364127.44476604 Normalize (0.84725s) started
T01 << 1462364127.44589806 Normalize (0.84839s) stopped
T01 >> 1462364127.44593191 Mix (90.93654s) started
T01 << 1462364127.56739998 Mix (91.05801s) stopped
T01 << 1462364127.56749511 Density (1644.46199s) stopped
T01 >> 1462364127.56760812 Hamiltonian (18408.22798s) started
T01 >> 1462364127.56762695 vbar (11.17236s) started
T01 << 1462364127.58138299 vbar (11.18612s) stopped
T01 >> 1462364127.58147693 XC 3D grid (7980.80385s) started
T01 >> 1462364127.75759292 van der Waals (7704.80401s) started
T01 >> 1462364127.80020499 semilocal (1726.55711s) started
T01 << 1462364130.03446698 semilocal (1728.79137s) stopped
T01 >> 1462364130.06633902 redistribute (829.23182s) started
T01 << 1462364130.44923306 redistribute (829.61471s) stopped
T01 >> 1462364130.44930100 libvdwxc nonlocal (5090.59454s) started
T01 << 1462364137.13634992 libvdwxc nonlocal (5097.28159s) stopped
T01 >> 1462364137.13644290 redistribute (829.61475s) started
T01 << 1462364137.78719592 redistribute (830.26550s) stopped
T01 << 1462364137.78834510 van der Waals (7714.83476s) stopped
T01 << 1462364137.95900989 XC 3D grid (7991.18138s) stopped
T01 >> 1462364137.95905590 Poisson (1596.15998s) started
T01 << 1462364139.73147011 Poisson (1597.93240s) stopped
T01 >> 1462364139.73154712 Hartree integrate/restrict (63.31481s) started
T01 << 1462364139.75049090 Hartree integrate/restrict (63.33375s) stopped
T01 >> 1462364139.75053906 Hartree integrate/restrict (63.33378s) started
T01 << 1462364139.81853104 Hartree integrate/restrict (63.40177s) stopped
T01 >> 1462364139.83554792 Atomic (4894.68258s) started
T01 >> 1462364139.84572697 XC Correction (4884.55757s) started
T01 << 1462364146.16844893 XC Correction (4890.88029s) stopped
T01 << 1462364146.17145491 Atomic (4901.01849s) stopped
T01 >> 1462364146.17156005 Communicate (3845.73221s) started
T01 << 1462364151.04280996 Communicate (3850.60346s) stopped
T01 << 1462364151.04283500 Hamiltonian (18431.70321s) stopped
T01 >> 1462364151.04290509 LCAO eigensolver (6660.89066s) started
T01 >> 1462364151.04291892 Potential matrix (216.94991s) started
T01 << 1462364151.31681800 Potential matrix (217.22381s) stopped
T01 >> 1462364151.31689310 DistributedAtomicCorrection (1111.32868s) started
T01 << 1462364152.71258092 DistributedAtomicCorrection (1112.72437s) stopped
T01 >> 1462364152.71266007 Distribute overlap matrix (976.43498s) started
T01 >> 1462364152.71268201 blocked summation (926.41953s) started
T01 << 1462364153.81944394 blocked summation (927.52629s) stopped
T01 >> 1462364153.82112503 Scalapack redistribute (48.65999s) started
T01 << 1462364153.88045096 Scalapack redistribute (48.71932s) stopped
T01 << 1462364153.88053393 Distribute overlap matrix (977.60285s) stopped
T01 >> 1462364153.88114500 Blacs Orbital Layouts (2286.33791s) started
T01 >> 1462364153.88228893 General diagonalize (2240.06722s) started
T01 << 1462364156.56795692 General diagonalize (2242.75289s) stopped
T01 >> 1462364156.56802392 Redistribute coefs (2.55889s) started
T01 << 1462364156.57171798 Redistribute coefs (2.56258s) stopped
T01 >> 1462364156.57176495 Send coefs to domains (42.34482s) started
T01 << 1462364156.62200093 Send coefs to domains (42.39505s) stopped
T01 << 1462364156.62227702 Blacs Orbital Layouts (2289.07905s) stopped
T01 >> 1462364156.62232995 Calculate projections (2069.11951s) started
T01 << 1462364159.08252597 Calculate projections (2071.57971s) stopped
T01 << 1462364159.08280993 LCAO eigensolver (6668.93057s) stopped
T01 >> 1462364159.08355594 Density (1644.46201s) started
T01 >> 1462364159.08356905 Pseudo density (1361.63801s) started
T01 >> 1462364159.08402610 Calculate density matrix (1223.17524s) started
T01 << 1462364160.67625690 Calculate density matrix (1224.76747s) stopped
T01 >> 1462364160.67634296 Construct density (136.48330s) started
T01 << 1462364160.86139107 Construct density (136.66835s) stopped
T01 >> 1462364160.86319089 Symmetrize density (0.03429s) started
T01 << 1462364160.86322403 Symmetrize density (0.03432s) stopped
T01 << 1462364160.86366010 Pseudo density (1363.41810s) stopped
T01 >> 1462364160.86367989 Atomic density matrices (187.77048s) started
T01 << 1462364161.10737205 Atomic density matrices (188.01417s) stopped
T01 >> 1462364161.10741305 Multipole moments (3.09407s) started
T01 << 1462364161.11151290 Multipole moments (3.09817s) stopped
T01 >> 1462364161.11153603 Normalize (0.84841s) started
T01 << 1462364161.11267495 Normalize (0.84955s) stopped
T01 >> 1462364161.11271000 Mix (91.05810s) started
T01 << 1462364161.23340106 Mix (91.17879s) stopped
T01 << 1462364161.23349810 Density (1646.61195s) stopped
T01 >> 1462364161.23360896 Hamiltonian (18431.70322s) started
T01 >> 1462364161.23362994 vbar (11.18617s) started
T01 << 1462364161.24727607 vbar (11.19982s) stopped
T01 >> 1462364161.24735904 XC 3D grid (7991.18142s) started
T01 >> 1462364161.42559004 van der Waals (7714.83482s) started
T01 >> 1462364161.46958899 semilocal (1728.79142s) started
T01 << 1462364163.68810201 semilocal (1731.00993s) stopped
T01 >> 1462364163.72146201 redistribute (830.26557s) started
T01 << 1462364164.11600709 redistribute (830.66011s) stopped
T01 >> 1462364164.11607599 libvdwxc nonlocal (5097.28165s) started
T01 << 1462364170.79309797 libvdwxc nonlocal (5103.95867s) stopped
T01 >> 1462364170.79319096 redistribute (830.66015s) started
T01 << 1462364171.43662691 redistribute (831.30359s) stopped
T01 << 1462364171.43820095 van der Waals (7724.84743s) stopped
T01 << 1462364171.61558795 XC 3D grid (8001.54965s) stopped
T01 >> 1462364171.61564708 Poisson (1597.93245s) started
T01 << 1462364172.80734205 Poisson (1599.12415s) stopped
T01 >> 1462364172.80744505 Hartree integrate/restrict (63.40182s) started
T01 << 1462364172.82652712 Hartree integrate/restrict (63.42090s) stopped
T01 >> 1462364172.82661295 Hartree integrate/restrict (63.42096s) started
T01 << 1462364172.89350605 Hartree integrate/restrict (63.48786s) stopped
T01 >> 1462364172.91150808 Atomic (4901.01851s) started
T01 >> 1462364172.92159891 XC Correction (4890.88031s) started
T01 << 1462364179.21220589 XC Correction (4897.17092s) stopped
T01 << 1462364179.21522188 Atomic (4907.32222s) stopped
T01 >> 1462364179.21532297 Communicate (3850.60348s) started
T01 << 1462364184.14736891 Communicate (3855.53553s) stopped
T01 << 1462364184.14739203 Hamiltonian (18454.61700s) stopped
T01 >> 1462364184.14745903 LCAO eigensolver (6668.93059s) started
T01 >> 1462364184.14747095 Potential matrix (217.22385s) started
T01 << 1462364184.42224312 Potential matrix (217.49862s) stopped
T01 >> 1462364184.42231894 DistributedAtomicCorrection (1112.72441s) started
T01 << 1462364185.81766009 DistributedAtomicCorrection (1114.11975s) stopped
T01 >> 1462364185.81773806 Distribute overlap matrix (977.60286s) started
T01 >> 1462364185.81775999 blocked summation (927.52633s) started
T01 << 1462364186.89770007 blocked summation (928.60627s) stopped
T01 >> 1462364186.89944291 Scalapack redistribute (48.71936s) started
T01 << 1462364186.95912910 Scalapack redistribute (48.77904s) stopped
T01 << 1462364186.95921111 Distribute overlap matrix (978.74434s) stopped
T01 >> 1462364186.95981312 Blacs Orbital Layouts (2289.07906s) started
T01 >> 1462364186.96095610 General diagonalize (2242.75292s) started
T01 << 1462364189.66178989 General diagonalize (2245.45376s) stopped
T01 >> 1462364189.66185594 Redistribute coefs (2.56262s) started
T01 << 1462364189.66553593 Redistribute coefs (2.56630s) stopped
T01 >> 1462364189.66558290 Send coefs to domains (42.39510s) started
T01 << 1462364189.71504903 Send coefs to domains (42.44456s) stopped
T01 << 1462364189.71535110 Blacs Orbital Layouts (2291.83460s) stopped
T01 >> 1462364189.71540499 Calculate projections (2071.57976s) started
T01 << 1462364192.17566204 Calculate projections (2074.04002s) stopped
T01 << 1462364192.17593789 LCAO eigensolver (6676.95907s) stopped
T01 << 1462364192.17667508 SCF-cycle (26778.88441s) stopped
T01 >> 1462364193.08196497 Force calculation (1628.12191s) started
T01 >> 1462364193.08202291 LCAO forces (1005.61182s) started
T01 >> 1462364193.08237600 Initial (0.00119s) started
T01 << 1462364193.08238697 Initial (0.00120s) stopped
T01 >> 1462364193.08673096 Get density matrix (196.70380s) started
T01 << 1462364193.68827295 Get density matrix (197.30534s) stopped
T01 >> 1462364193.68834209 Potential (72.53594s) started
T01 << 1462364195.15946507 Potential (74.00707s) stopped
T01 >> 1462364195.15953112 Get density matrix (197.30537s) started
T01 << 1462364198.38076210 Get density matrix (200.52661s) stopped
T01 >> 1462364198.38092494 Prepare TCI loop (97.71550s) started
T01 >> 1462364198.38147497 Get neighbors (92.53584s) started
T01 << 1462364200.25137806 Get neighbors (94.40574s) stopped
T01 >> 1462364200.25159693 broadcast dH (5.14310s) started
T01 << 1462364200.26158094 broadcast dH (5.15308s) stopped
T01 << 1462364200.26162601 Prepare TCI loop (99.59620s) stopped
T01 >> 1462364200.26164794 Not so complicated loop (140.84855s) started
T01 << 1462364203.01123309 Not so complicated loop (143.59813s) stopped
T01 >> 1462364203.14123797 Complicated loop (490.54435s) started
T01 << 1462364212.90484905 Complicated loop (500.30796s) stopped
T01 >> 1462364212.92556810 Wait for sum (0.00295s) started
T01 << 1462364212.92561603 Wait for sum (0.00300s) stopped
T01 << 1462364212.92563009 LCAO forces (1025.45543s) stopped
T01 << 1462364227.10649705 Force calculation (1662.14644s) stopped
T01 >> 1462364227.12454295 Initialization (2661.18865s) started
T01 << 1462364227.12474895 Initialization (2661.18885s) stopped
T01 >> 1462364227.12510896 Initialization (2661.18887s) started
T01 << 1462364227.12525511 Initialization (2661.18902s) stopped
T01 >> 1462364227.12540007 Initialization (2661.18903s) started
T01 << 1462364227.12554097 Initialization (2661.18917s) stopped
T01 >> 1462364247.46356201 Initialization (2661.18919s) started
T01 >> 1462364247.53361106 Basic WFS set positions (5.17107s) started
T01 >> 1462364247.53363800 Redistribute (0.10189s) started
T01 << 1462364247.53908110 Redistribute (0.10733s) stopped
T01 << 1462364247.63357711 Basic WFS set positions (5.27103s) stopped
T01 >> 1462364247.63360906 Basis functions set positions (21.92325s) started
T01 << 1462364248.04888105 Basis functions set positions (22.33853s) stopped
T01 >> 1462364248.04980493 TCI: Calculate S, T, P (798.80698s) started
T01 << 1462364263.35344005 TCI: Calculate S, T, P (814.11062s) stopped
T01 >> 1462364263.35353303 blocked summation (214.91176s) started
T01 << 1462364267.24464202 blocked summation (218.80287s) stopped
T01 >> 1462364267.24607801 Scalapack redistribute (12.92790s) started
T01 << 1462364267.30534792 Scalapack redistribute (12.98717s) stopped
T01 >> 1462364267.30585599 blocked summation (218.80291s) started
T01 << 1462364267.47003603 blocked summation (218.96709s) stopped
T01 >> 1462364267.47230101 Scalapack redistribute (12.98724s) started
T01 << 1462364267.67248201 Scalapack redistribute (13.18742s) stopped
T01 >> 1462364267.67385697 Redistribute (0.10639s) started
T01 << 1462364267.67486596 Redistribute (0.10740s) stopped
T01 >> 1462364268.59850502 Redistribute (0.10742s) started
T01 << 1462364268.59992003 Redistribute (0.10883s) stopped
T01 >> 1462364268.60997391 LCAO WFS Initialize (1552.24986s) started
T01 >> 1462364268.61000204 Density initialize from wavefunctions (63.60368s) started
T01 >> 1462364268.61045003 Calculate density matrix (36.69538s) started
T01 << 1462364269.31441307 Calculate density matrix (37.39935s) stopped
T01 >> 1462364269.31448102 Construct density (9.20361s) started
T01 << 1462364269.50148106 Construct density (9.39061s) stopped
T01 >> 1462364269.50306511 Symmetrize density (0.00229s) started
T01 << 1462364269.50309706 Symmetrize density (0.00232s) stopped
T01 << 1462364269.84244108 Density initialize from wavefunctions (64.83612s) stopped
T01 >> 1462364269.84310603 Hamiltonian (1488.42055s) started
T01 >> 1462364269.84314799 vbar (0.78146s) started
T01 << 1462364269.85717106 vbar (0.79548s) stopped
T01 >> 1462364269.85726094 XC 3D grid (546.20228s) started
T01 >> 1462364270.03639293 van der Waals (527.26750s) started
T01 >> 1462364270.08007407 semilocal (117.53950s) started
T01 << 1462364272.29537702 semilocal (119.75480s) stopped
T01 >> 1462364272.32726002 redistribute (56.03327s) started
T01 << 1462364272.72807407 redistribute (56.43409s) stopped
T01 >> 1462364272.72812390 libvdwxc nonlocal (349.70092s) started
T01 << 1462364279.43244791 libvdwxc nonlocal (356.40525s) stopped
T01 >> 1462364279.43252397 redistribute (56.43413s) started
T01 << 1462364280.06931210 redistribute (57.07091s) stopped
T01 << 1462364280.07059312 van der Waals (537.30170s) stopped
T01 << 1462364280.25099707 XC 3D grid (556.59601s) stopped
T01 >> 1462364280.25104690 Poisson (248.38493s) started
T01 << 1462364284.94090295 Poisson (253.07479s) stopped
T01 >> 1462364284.94096994 Hartree integrate/restrict (4.30345s) started
T01 << 1462364284.96011710 Hartree integrate/restrict (4.32260s) stopped
T01 >> 1462364284.96017098 Hartree integrate/restrict (4.32263s) started
T01 << 1462364285.02575898 Hartree integrate/restrict (4.38822s) stopped
T01 >> 1462364285.04330492 Atomic (350.00851s) started
T01 >> 1462364285.05409694 XC Correction (349.30049s) started
T01 << 1462364291.76580691 XC Correction (356.01220s) stopped
T01 << 1462364291.76888394 Atomic (356.73409s) stopped
T01 >> 1462364291.76909995 Communicate (337.60027s) started
T01 << 1462364297.88199401 Communicate (343.71317s) stopped
T01 << 1462364297.88201809 Hamiltonian (1516.45946s) stopped
T01 << 1462364297.88207006 LCAO WFS Initialize (1581.52196s) stopped
T01 << 1462364297.89424205 Initialization (2711.61987s) stopped
T01 >> 1462364297.91929412 SCF-cycle (26778.88442s) started
T01 >> 1462364297.91933393 LCAO eigensolver (6676.95908s) started
T01 >> 1462364297.91934705 Potential matrix (217.49866s) started
T01 << 1462364298.19528294 Potential matrix (217.77460s) stopped
T01 >> 1462364298.19536090 DistributedAtomicCorrection (1114.11979s) started
T01 << 1462364299.59597492 DistributedAtomicCorrection (1115.52040s) stopped
T01 >> 1462364299.59605503 Distribute overlap matrix (978.74435s) started
T01 >> 1462364299.59607792 blocked summation (928.60631s) started
T01 << 1462364300.70184493 blocked summation (929.71208s) stopped
T01 >> 1462364300.70333409 Scalapack redistribute (48.77908s) started
T01 << 1462364300.76351190 Scalapack redistribute (48.83926s) stopped
T01 << 1462364300.76360011 Distribute overlap matrix (979.91189s) stopped
T01 >> 1462364300.76421690 Blacs Orbital Layouts (2291.83462s) started
T01 >> 1462364300.76558995 General diagonalize (2245.45380s) started
T01 << 1462364303.45186996 General diagonalize (2248.14008s) stopped
T01 >> 1462364303.45192099 Redistribute coefs (2.56634s) started
T01 << 1462364303.45462799 Redistribute coefs (2.56904s) stopped
T01 >> 1462364303.45467591 Send coefs to domains (42.44461s) started
T01 << 1462364303.50550699 Send coefs to domains (42.49544s) stopped
T01 << 1462364303.50584698 Blacs Orbital Layouts (2294.57625s) stopped
T01 >> 1462364303.50587797 Calculate projections (2074.04008s) started
T01 << 1462364305.96547294 Calculate projections (2076.49967s) stopped
T01 << 1462364305.96555400 LCAO eigensolver (6685.00530s) stopped
T01 >> 1462364305.96621990 Density (1646.61197s) started
T01 >> 1462364305.96623302 Pseudo density (1363.41812s) started
T01 >> 1462364305.96668911 Calculate density matrix (1224.76751s) started
T01 << 1462364307.55790901 Calculate density matrix (1226.35873s) stopped
T01 >> 1462364307.55797505 Construct density (136.66838s) started
T01 << 1462364307.74563694 Construct density (136.85605s) stopped
T01 >> 1462364307.74703598 Symmetrize density (0.03434s) started
T01 << 1462364307.74706888 Symmetrize density (0.03437s) stopped
T01 << 1462364307.74751902 Pseudo density (1365.19940s) stopped
T01 >> 1462364307.74753809 Atomic density matrices (188.01420s) started
T01 << 1462364307.98818994 Atomic density matrices (188.25485s) stopped
T01 >> 1462364307.98823190 Multipole moments (3.09819s) started
T01 << 1462364307.99231410 Multipole moments (3.10227s) stopped
T01 >> 1462364307.99233699 Normalize (0.84957s) started
T01 << 1462364307.99340391 Normalize (0.85064s) stopped
T01 >> 1462364307.99343705 Mix (91.17888s) started
T01 << 1462364308.09943604 Mix (91.28488s) stopped
T01 << 1462364308.09955096 Density (1648.74530s) stopped
T01 >> 1462364308.09966707 Hamiltonian (18454.61702s) started
T01 >> 1462364308.09968591 vbar (11.19987s) started
T01 << 1462364308.11393094 vbar (11.21411s) stopped
T01 >> 1462364308.11401391 XC 3D grid (8001.54969s) started
T01 >> 1462364308.28577995 van der Waals (7724.84754s) started
T01 >> 1462364308.33022404 semilocal (1731.01006s) started
T01 << 1462364310.55047798 semilocal (1733.23031s) stopped
T01 >> 1462364310.58241105 redistribute (831.30372s) started
T01 << 1462364310.99055409 redistribute (831.71186s) stopped
T01 >> 1462364310.99061990 libvdwxc nonlocal (5103.95873s) started
T01 << 1462364317.69456911 libvdwxc nonlocal (5110.66268s) stopped
T01 >> 1462364317.69463801 redistribute (831.71190s) started
T01 << 1462364318.33882499 redistribute (832.35609s) stopped
T01 << 1462364318.34014297 van der Waals (7734.90190s) stopped
T01 << 1462364318.51808190 XC 3D grid (8011.95376s) stopped
T01 >> 1462364318.51814008 Poisson (1599.12423s) started
T01 << 1462364320.88176203 Poisson (1601.48785s) stopped
T01 >> 1462364320.88188505 Hartree integrate/restrict (63.48790s) started
T01 << 1462364320.90062904 Hartree integrate/restrict (63.50664s) stopped
T01 >> 1462364320.90074492 Hartree integrate/restrict (63.50672s) started
T01 << 1462364320.96737289 Hartree integrate/restrict (63.57335s) stopped
T01 >> 1462364320.98496699 Atomic (4907.32224s) started
T01 >> 1462364320.99536610 XC Correction (4897.17094s) started
T01 << 1462364327.74532008 XC Correction (4903.92090s) stopped
T01 << 1462364327.74833703 Atomic (4914.08561s) stopped
T01 >> 1462364327.74843907 Communicate (3855.53554s) started
T01 << 1462364333.67995405 Communicate (3861.46706s) stopped
T01 << 1462364333.67997789 Hamiltonian (18480.19733s) stopped
T01 >> 1462364333.68004298 LCAO eigensolver (6685.00532s) started
T01 >> 1462364333.68005705 Potential matrix (217.77464s) started
T01 << 1462364333.95753598 Potential matrix (218.05212s) stopped
T01 >> 1462364333.95761299 DistributedAtomicCorrection (1115.52044s) started
T01 << 1462364335.36872697 DistributedAtomicCorrection (1116.93155s) stopped
T01 >> 1462364335.36880898 Distribute overlap matrix (979.91191s) started
T01 >> 1462364335.36883211 blocked summation (929.71212s) started
T01 << 1462364336.46071410 blocked summation (930.80400s) stopped
T01 >> 1462364336.46221900 Scalapack redistribute (48.83930s) started
T01 << 1462364336.52062106 Scalapack redistribute (48.89770s) stopped
T01 << 1462364336.52070904 Distribute overlap matrix (981.06381s) stopped
T01 >> 1462364336.52132392 Blacs Orbital Layouts (2294.57627s) started
T01 >> 1462364336.52267003 General diagonalize (2248.14012s) started
T01 << 1462364339.21439695 General diagonalize (2250.83184s) stopped
T01 >> 1462364339.21446109 Redistribute coefs (2.56908s) started
T01 << 1462364339.21724296 Redistribute coefs (2.57186s) stopped
T01 >> 1462364339.21732998 Send coefs to domains (42.49548s) started
T01 << 1462364339.26761889 Send coefs to domains (42.54577s) stopped
T01 << 1462364339.26795793 Blacs Orbital Layouts (2297.32290s) stopped
T01 >> 1462364339.26801205 Calculate projections (2076.49973s) started
T01 << 1462364341.72721195 Calculate projections (2078.95893s) stopped
T01 << 1462364341.72729611 LCAO eigensolver (6693.05257s) stopped
T01 >> 1462364341.72813892 Density (1648.74532s) started
T01 >> 1462364341.72815204 Pseudo density (1365.19942s) started
T01 >> 1462364341.72860193 Calculate density matrix (1226.35877s) started
T01 << 1462364343.31809902 Calculate density matrix (1227.94827s) stopped
T01 >> 1462364343.31816506 Construct density (136.85608s) started
T01 << 1462364343.50586605 Construct density (137.04378s) stopped
T01 >> 1462364343.50743794 Symmetrize density (0.03438s) started
T01 << 1462364343.50747204 Symmetrize density (0.03441s) stopped
T01 << 1462364343.50793409 Pseudo density (1366.97920s) stopped
T01 >> 1462364343.50795388 Atomic density matrices (188.25488s) started
T01 << 1462364343.75065207 Atomic density matrices (188.49757s) stopped
T01 >> 1462364343.75069308 Multipole moments (3.10229s) started
T01 << 1462364343.75481892 Multipole moments (3.10641s) stopped
T01 >> 1462364343.75484204 Normalize (0.85067s) started
T01 << 1462364343.75591707 Normalize (0.85174s) stopped
T01 >> 1462364343.75595188 Mix (91.28499s) started
T01 << 1462364343.86711407 Mix (91.39616s) stopped
T01 << 1462364343.86723804 Density (1650.88442s) stopped
T01 >> 1462364343.86734509 Hamiltonian (18480.19734s) started
T01 >> 1462364343.86736608 vbar (11.21416s) started
T01 << 1462364343.88150597 vbar (11.22830s) stopped
T01 >> 1462364343.88157105 XC 3D grid (8011.95381s) started
T01 >> 1462364344.05168200 van der Waals (7734.90195s) started
T01 >> 1462364344.09639192 semilocal (1733.23042s) started
T01 << 1462364346.31804705 semilocal (1735.45208s) stopped
T01 >> 1462364346.34952688 redistribute (832.35613s) started
T01 << 1462364346.73577905 redistribute (832.74238s) stopped
T01 >> 1462364346.73584700 libvdwxc nonlocal (5110.66274s) started
T01 << 1462364353.43088102 libvdwxc nonlocal (5117.35777s) stopped
T01 >> 1462364353.43096304 redistribute (832.74242s) started
T01 << 1462364354.07459593 redistribute (833.38605s) stopped
T01 << 1462364354.07593799 van der Waals (7744.92621s) stopped
T01 << 1462364354.25660205 XC 3D grid (8022.32884s) stopped
T01 >> 1462364354.25665498 Poisson (1601.48795s) started
T01 << 1462364356.04071212 Poisson (1603.27201s) stopped
T01 >> 1462364356.04080296 Hartree integrate/restrict (63.57340s) started
T01 << 1462364356.05988097 Hartree integrate/restrict (63.59248s) stopped
T01 >> 1462364356.05993509 Hartree integrate/restrict (63.59252s) started
T01 << 1462364356.12246394 Hartree integrate/restrict (63.65504s) stopped
T01 >> 1462364356.14427090 Atomic (4914.08563s) started
T01 >> 1462364356.15464091 XC Correction (4903.92092s) started
T01 << 1462364362.63579798 XC Correction (4910.40208s) stopped
T01 << 1462364362.63881612 Atomic (4920.58017s) stopped
T01 >> 1462364362.63892198 Communicate (3861.46707s) started
T01 << 1462364368.13042593 Communicate (3866.95858s) stopped
T01 << 1462364368.13045096 Hamiltonian (18504.46045s) stopped
T01 >> 1462364368.13051510 LCAO eigensolver (6693.05258s) started
T01 >> 1462364368.13052797 Potential matrix (218.05217s) started
T01 << 1462364368.40569592 Potential matrix (218.32733s) stopped
T01 >> 1462364368.40577292 DistributedAtomicCorrection (1116.93160s) started
T01 << 1462364369.81595802 DistributedAtomicCorrection (1118.34178s) stopped
T01 >> 1462364369.81603789 Distribute overlap matrix (981.06382s) started
T01 >> 1462364369.81606102 blocked summation (930.80405s) started
T01 << 1462364370.92161798 blocked summation (931.90960s) stopped
T01 >> 1462364370.92309594 Scalapack redistribute (48.89774s) started
T01 << 1462364370.98286700 Scalapack redistribute (48.95751s) stopped
T01 << 1462364370.98295093 Distribute overlap matrix (982.23073s) stopped
T01 >> 1462364370.98356605 Blacs Orbital Layouts (2297.32292s) started
T01 >> 1462364370.98491812 General diagonalize (2250.83188s) started
T01 << 1462364373.66790795 General diagonalize (2253.51487s) stopped
T01 >> 1462364373.66797209 Redistribute coefs (2.57190s) started
T01 << 1462364373.67069197 Redistribute coefs (2.57462s) stopped
T01 >> 1462364373.67077589 Send coefs to domains (42.54581s) started
T01 << 1462364373.72152209 Send coefs to domains (42.59656s) stopped
T01 << 1462364373.72186804 Blacs Orbital Layouts (2300.06122s) stopped
T01 >> 1462364373.72192192 Calculate projections (2078.95899s) started
T01 << 1462364376.18116689 Calculate projections (2081.41823s) stopped
T01 << 1462364376.18125296 LCAO eigensolver (6701.10332s) stopped
T01 >> 1462364376.18200707 Density (1650.88444s) started
T01 >> 1462364376.18201900 Pseudo density (1366.97921s) started
T01 >> 1462364376.18247008 Calculate density matrix (1227.94831s) started
T01 << 1462364377.77315307 Calculate density matrix (1229.53900s) stopped
T01 >> 1462364377.77324009 Construct density (137.04382s) started
T01 << 1462364377.96066093 Construct density (137.23124s) stopped
T01 >> 1462364377.96206808 Symmetrize density (0.03443s) started
T01 << 1462364377.96210003 Symmetrize density (0.03446s) stopped
T01 << 1462364377.96254992 Pseudo density (1368.75974s) stopped
T01 >> 1462364377.96256900 Atomic density matrices (188.49760s) started
T01 << 1462364378.20384693 Atomic density matrices (188.73888s) stopped
T01 >> 1462364378.20388889 Multipole moments (3.10643s) started
T01 << 1462364378.20797801 Multipole moments (3.11052s) stopped
T01 >> 1462364378.20800090 Normalize (0.85176s) started
T01 << 1462364378.20907211 Normalize (0.85284s) stopped
T01 >> 1462364378.20910692 Mix (91.39627s) started
T01 << 1462364378.32297397 Mix (91.51014s) stopped
T01 << 1462364378.32310796 Density (1653.02554s) stopped
T01 >> 1462364378.32322407 Hamiltonian (18504.46046s) started
T01 >> 1462364378.32324600 vbar (11.22834s) started
T01 << 1462364378.33752704 vbar (11.24262s) stopped
T01 >> 1462364378.33760595 XC 3D grid (8022.32887s) started
T01 >> 1462364378.51599789 van der Waals (7744.92626s) started
T01 >> 1462364378.56010199 semilocal (1735.45217s) started
T01 << 1462364380.79461908 semilocal (1737.68669s) stopped
T01 >> 1462364380.82645392 redistribute (833.38610s) started
T01 << 1462364381.20527005 redistribute (833.76492s) stopped
T01 >> 1462364381.20533395 libvdwxc nonlocal (5117.35782s) started
T01 << 1462364387.91686106 libvdwxc nonlocal (5124.06935s) stopped
T01 >> 1462364387.91693091 redistribute (833.76496s) started
T01 << 1462364388.56276298 redistribute (834.41079s) stopped
T01 << 1462364388.56401205 van der Waals (7754.97427s) stopped
T01 << 1462364388.74284911 XC 3D grid (8032.73412s) stopped
T01 >> 1462364388.74289799 Poisson (1603.27208s) started
T01 << 1462364391.11048388 Poisson (1605.63966s) stopped
T01 >> 1462364391.11055112 Hartree integrate/restrict (63.65508s) started
T01 << 1462364391.12958694 Hartree integrate/restrict (63.67412s) stopped
T01 >> 1462364391.12963295 Hartree integrate/restrict (63.67415s) started
T01 << 1462364391.19197011 Hartree integrate/restrict (63.73648s) stopped
T01 >> 1462364391.21501589 Atomic (4920.58019s) started
T01 >> 1462364391.22542405 XC Correction (4910.40210s) started
T01 << 1462364397.56777906 XC Correction (4916.74446s) stopped
T01 << 1462364397.57078695 Atomic (4926.93596s) stopped
T01 >> 1462364397.57088900 Communicate (3866.95859s) started
T01 << 1462364402.69507790 Communicate (3872.08278s) stopped
T01 << 1462364402.69510388 Hamiltonian (18528.83234s) stopped
T01 >> 1462364402.69517207 LCAO eigensolver (6701.10334s) started
T01 >> 1462364402.69518495 Potential matrix (218.32738s) started
T01 << 1462364402.97278190 Potential matrix (218.60497s) stopped
T01 >> 1462364402.97285891 DistributedAtomicCorrection (1118.34182s) started
T01 << 1462364404.36746502 DistributedAtomicCorrection (1119.73642s) stopped
T01 >> 1462364404.36754608 Distribute overlap matrix (982.23074s) started
T01 >> 1462364404.36756897 blocked summation (931.90965s) started
T01 << 1462364405.45817399 blocked summation (933.00025s) stopped
T01 >> 1462364405.45965910 Scalapack redistribute (48.95755s) started
T01 << 1462364405.51929212 Scalapack redistribute (49.01718s) stopped
T01 << 1462364405.51937509 Distribute overlap matrix (983.38257s) stopped
T01 >> 1462364405.51999402 Blacs Orbital Layouts (2300.06124s) started
T01 >> 1462364405.52133894 General diagonalize (2253.51491s) started
T01 << 1462364408.21306396 General diagonalize (2256.20663s) stopped
T01 >> 1462364408.21312809 Redistribute coefs (2.57466s) started
T01 << 1462364408.21583295 Redistribute coefs (2.57736s) stopped
T01 >> 1462364408.21591711 Send coefs to domains (42.59660s) started
T01 << 1462364408.26795411 Send coefs to domains (42.64864s) stopped
T01 << 1462364408.26825690 Blacs Orbital Layouts (2302.80950s) stopped
T01 >> 1462364408.26831293 Calculate projections (2081.41829s) started
T01 << 1462364410.72781992 Calculate projections (2083.87780s) stopped
T01 << 1462364410.72790504 LCAO eigensolver (6709.13607s) stopped
T01 >> 1462364410.72867298 Density (1653.02556s) started
T01 >> 1462364410.72868609 Pseudo density (1368.75976s) started
T01 >> 1462364410.72913909 Calculate density matrix (1229.53904s) started
T01 << 1462364412.32271290 Calculate density matrix (1231.13261s) stopped
T01 >> 1462364412.32279897 Construct density (137.23127s) started
T01 << 1462364412.51003790 Construct density (137.41851s) stopped
T01 >> 1462364412.51148105 Symmetrize density (0.03447s) started
T01 << 1462364412.51151395 Symmetrize density (0.03450s) stopped
T01 << 1462364412.51197410 Pseudo density (1370.54305s) stopped
T01 >> 1462364412.51199389 Atomic density matrices (188.73891s) started
T01 << 1462364412.75283909 Atomic density matrices (188.97975s) stopped
T01 >> 1462364412.75288200 Multipole moments (3.11053s) started
T01 << 1462364412.75697088 Multipole moments (3.11462s) stopped
T01 >> 1462364412.75699401 Normalize (0.85286s) started
T01 << 1462364412.75818992 Normalize (0.85406s) stopped
T01 >> 1462364412.75822401 Mix (91.51027s) started
T01 << 1462364412.87570405 Mix (91.62775s) stopped
T01 << 1462364412.87583303 Density (1655.17272s) stopped
T01 >> 1462364412.87601590 Hamiltonian (18528.83235s) started
T01 >> 1462364412.87603903 vbar (11.24266s) started
T01 << 1462364412.88981390 vbar (11.25644s) stopped
T01 >> 1462364412.88987589 XC 3D grid (8032.73415s) started
T01 >> 1462364413.06480098 van der Waals (7754.97432s) started
T01 >> 1462364413.10780311 semilocal (1737.68682s) started
T01 << 1462364415.32361889 semilocal (1739.90264s) stopped
T01 >> 1462364415.35531712 redistribute (834.41084s) started
T01 << 1462364415.76111197 redistribute (834.81663s) stopped
T01 >> 1462364415.76118207 libvdwxc nonlocal (5124.06940s) started
T01 << 1462364422.45114589 libvdwxc nonlocal (5130.75936s) stopped
T01 >> 1462364422.45120811 redistribute (834.81667s) started
T01 << 1462364423.10373807 redistribute (835.46920s) stopped
T01 << 1462364423.10491395 van der Waals (7765.01443s) stopped
T01 << 1462364423.28695607 XC 3D grid (8043.13123s) stopped
T01 >> 1462364423.28701305 Poisson (1605.63971s) started
T01 << 1462364425.63616991 Poisson (1607.98887s) stopped
T01 >> 1462364425.63624597 Hartree integrate/restrict (63.73652s) started
T01 << 1462364425.65525699 Hartree integrate/restrict (63.75553s) stopped
T01 >> 1462364425.65534902 Hartree integrate/restrict (63.75559s) started
T01 << 1462364425.72321010 Hartree integrate/restrict (63.82346s) stopped
T01 >> 1462364425.73903608 Atomic (4926.93598s) started
T01 >> 1462364425.74935508 XC Correction (4916.74448s) started
T01 << 1462364432.11559105 XC Correction (4923.11072s) stopped
T01 << 1462364432.11862707 Atomic (4933.31557s) stopped
T01 >> 1462364432.11873293 Communicate (3872.08280s) started
T01 << 1462364436.67860389 Communicate (3876.64267s) stopped
T01 << 1462364436.67862797 Hamiltonian (18552.63497s) stopped
T01 >> 1462364436.67869711 LCAO eigensolver (6709.13608s) started
T01 >> 1462364436.67871094 Potential matrix (218.60501s) started
T01 << 1462364436.95422411 Potential matrix (218.88053s) stopped
T01 >> 1462364436.95430112 DistributedAtomicCorrection (1119.73646s) started
T01 << 1462364438.34827709 DistributedAtomicCorrection (1121.13044s) stopped
T01 >> 1462364438.34835505 Distribute overlap matrix (983.38258s) started
T01 >> 1462364438.34837794 blocked summation (933.00029s) started
T01 << 1462364439.43314004 blocked summation (934.08506s) stopped
T01 >> 1462364439.43486691 Scalapack redistribute (49.01722s) started
T01 << 1462364439.49443698 Scalapack redistribute (49.07679s) stopped
T01 << 1462364439.49452090 Distribute overlap matrix (984.52875s) stopped
T01 >> 1462364439.49512410 Blacs Orbital Layouts (2302.80952s) started
T01 >> 1462364439.49627090 General diagonalize (2256.20667s) started
T01 << 1462364442.18690300 General diagonalize (2258.89730s) stopped
T01 >> 1462364442.18696809 Redistribute coefs (2.57740s) started
T01 << 1462364442.19052291 Redistribute coefs (2.58095s) stopped
T01 >> 1462364442.19057107 Send coefs to domains (42.64868s) started
T01 << 1462364442.24010491 Send coefs to domains (42.69822s) stopped
T01 << 1462364442.24041700 Blacs Orbital Layouts (2305.55481s) stopped
T01 >> 1462364442.24046993 Calculate projections (2083.87786s) started
T01 << 1462364444.69995594 Calculate projections (2086.33734s) stopped
T01 << 1462364444.70023608 LCAO eigensolver (6717.15762s) stopped
T01 >> 1462364444.70110893 Density (1655.17281s) started
T01 >> 1462364444.70112205 Pseudo density (1370.54306s) started
T01 >> 1462364444.70157003 Calculate density matrix (1231.13266s) started
T01 << 1462364446.29723501 Calculate density matrix (1232.72832s) stopped
T01 >> 1462364446.29732203 Construct density (137.41855s) started
T01 << 1462364446.48495603 Construct density (137.60618s) stopped
T01 >> 1462364446.48655891 Symmetrize density (0.03451s) started
T01 << 1462364446.48659110 Symmetrize density (0.03454s) stopped
T01 << 1462364446.48705196 Pseudo density (1372.32899s) stopped
T01 >> 1462364446.48707294 Atomic density matrices (188.97978s) started
T01 << 1462364446.72921395 Atomic density matrices (189.22192s) stopped
T01 >> 1462364446.72925591 Multipole moments (3.11464s) started
T01 << 1462364446.73331499 Multipole moments (3.11870s) stopped
T01 >> 1462364446.73333693 Normalize (0.85408s) started
T01 << 1462364446.73439598 Normalize (0.85514s) stopped
T01 >> 1462364446.73443007 Mix (91.62787s) started
T01 << 1462364446.85540891 Mix (91.74885s) stopped
T01 << 1462364446.85553908 Density (1657.32724s) stopped
T01 >> 1462364446.85566306 Hamiltonian (18552.63498s) started
T01 >> 1462364446.85568309 vbar (11.25647s) started
T01 << 1462364446.86947894 vbar (11.27027s) stopped
T01 >> 1462364446.86955905 XC 3D grid (8043.13128s) started
T01 >> 1462364447.03867102 van der Waals (7765.01447s) started
T01 >> 1462364447.08285403 semilocal (1739.90278s) started
T01 << 1462364449.30780005 semilocal (1742.12773s) stopped
T01 >> 1462364449.33838201 redistribute (835.46924s) started
T01 << 1462364449.73346591 redistribute (835.86433s) stopped
T01 >> 1462364449.73353791 libvdwxc nonlocal (5130.75940s) started
T01 << 1462364456.40168595 libvdwxc nonlocal (5137.42754s) stopped
T01 >> 1462364456.40177107 redistribute (835.86437s) started
T01 << 1462364457.05993605 redistribute (836.52253s) stopped
T01 << 1462364457.06114507 van der Waals (7775.03695s) stopped
T01 << 1462364457.23472810 XC 3D grid (8053.49645s) stopped
T01 >> 1462364457.23477411 Poisson (1607.98892s) started
T01 << 1462364459.57567191 Poisson (1610.32982s) stopped
T01 >> 1462364459.57573605 Hartree integrate/restrict (63.82349s) started
T01 << 1462364459.59482288 Hartree integrate/restrict (63.84257s) stopped
T01 >> 1462364459.59487104 Hartree integrate/restrict (63.84261s) started
T01 << 1462364459.65745592 Hartree integrate/restrict (63.90519s) stopped
T01 >> 1462364459.67808104 Atomic (4933.31558s) started
T01 >> 1462364459.68887305 XC Correction (4923.11074s) started
T01 << 1462364466.12310600 XC Correction (4929.54497s) stopped
T01 << 1462364466.12613010 Atomic (4939.76363s) stopped
T01 >> 1462364466.12623405 Communicate (3876.64269s) started
T01 << 1462364470.58549905 Communicate (3881.10195s) stopped
T01 << 1462364470.58552194 Hamiltonian (18576.36484s) stopped
T01 >> 1462364470.58558893 LCAO eigensolver (6717.15764s) started
T01 >> 1462364470.58560205 Potential matrix (218.88057s) started
T01 << 1462364470.86414909 Potential matrix (219.15911s) stopped
T01 >> 1462364470.86422706 DistributedAtomicCorrection (1121.13048s) started
T01 << 1462364472.25534606 DistributedAtomicCorrection (1122.52160s) stopped
T01 >> 1462364472.25542688 Distribute overlap matrix (984.52876s) started
T01 >> 1462364472.25544906 blocked summation (934.08509s) started
T01 << 1462364473.34126592 blocked summation (935.17091s) stopped
T01 >> 1462364473.34294009 Scalapack redistribute (49.07683s) started
T01 << 1462364473.40121293 Scalapack redistribute (49.13510s) stopped
T01 << 1462364473.40130401 Distribute overlap matrix (985.67464s) stopped
T01 >> 1462364473.40190005 Blacs Orbital Layouts (2305.55483s) started
T01 >> 1462364473.40305710 General diagonalize (2258.89734s) started
T01 << 1462364476.07143807 General diagonalize (2261.56572s) stopped
T01 >> 1462364476.07150292 Redistribute coefs (2.58099s) started
T01 << 1462364476.07514811 Redistribute coefs (2.58463s) stopped
T01 >> 1462364476.07519698 Send coefs to domains (42.69826s) started
T01 << 1462364476.12477207 Send coefs to domains (42.74784s) stopped
T01 << 1462364476.12505388 Blacs Orbital Layouts (2308.27798s) stopped
T01 >> 1462364476.12510705 Calculate projections (2086.33740s) started
T01 << 1462364478.58458591 Calculate projections (2088.79688s) stopped
T01 << 1462364478.58486295 LCAO eigensolver (6725.15691s) stopped
T01 >> 1462364478.58559704 Density (1657.32726s) started
T01 >> 1462364478.58560991 Pseudo density (1372.32901s) started
T01 >> 1462364478.58606505 Calculate density matrix (1232.72837s) started
T01 << 1462364480.18820000 Calculate density matrix (1234.33050s) stopped
T01 >> 1462364480.18830109 Construct density (137.60622s) started
T01 << 1462364480.37566304 Construct density (137.79358s) stopped
T01 >> 1462364480.37796593 Symmetrize density (0.03456s) started
T01 << 1462364480.37799907 Symmetrize density (0.03459s) stopped
T01 << 1462364480.37847090 Pseudo density (1374.12187s) stopped
T01 >> 1462364480.37849092 Atomic density matrices (189.22195s) started
T01 << 1462364480.61845112 Atomic density matrices (189.46191s) stopped
T01 >> 1462364480.61849189 Multipole moments (3.11871s) started
T01 << 1462364480.62255502 Multipole moments (3.12277s) stopped
T01 >> 1462364480.62257791 Normalize (0.85517s) started
T01 << 1462364480.62364793 Normalize (0.85624s) stopped
T01 >> 1462364480.62368393 Mix (91.74897s) started
T01 << 1462364480.74521399 Mix (91.87050s) stopped
T01 << 1462364480.74534202 Density (1659.48701s) stopped
T01 >> 1462364480.74547195 Hamiltonian (18576.36485s) started
T01 >> 1462364480.74549294 vbar (11.27031s) started
T01 << 1462364480.75942397 vbar (11.28424s) stopped
T01 >> 1462364480.75948691 XC 3D grid (8053.49648s) started
T01 >> 1462364480.93417311 van der Waals (7775.03701s) started
T01 >> 1462364480.97642207 semilocal (1742.12783s) started
T01 << 1462364483.19982910 semilocal (1744.35124s) stopped
T01 >> 1462364483.23102808 redistribute (836.52259s) started
T01 << 1462364483.62194300 redistribute (836.91351s) stopped
T01 >> 1462364483.62201190 libvdwxc nonlocal (5137.42760s) started
T01 << 1462364490.31685805 libvdwxc nonlocal (5144.12245s) stopped
T01 >> 1462364490.31694293 redistribute (836.91355s) started
T01 << 1462364490.97191906 redistribute (837.56852s) stopped
T01 << 1462364490.97351098 van der Waals (7785.07635s) stopped
T01 << 1462364491.14483690 XC 3D grid (8063.88183s) stopped
T01 >> 1462364491.14488292 Poisson (1610.32987s) started
T01 << 1462364493.49727297 Poisson (1612.68226s) stopped
T01 >> 1462364493.49734497 Hartree integrate/restrict (63.90523s) started
T01 << 1462364493.51612997 Hartree integrate/restrict (63.92401s) stopped
T01 >> 1462364493.51618195 Hartree integrate/restrict (63.92405s) started
T01 << 1462364493.58413696 Hartree integrate/restrict (63.99200s) stopped
T01 >> 1462364493.59988809 Atomic (4939.76365s) started
T01 >> 1462364493.61067605 XC Correction (4929.54500s) started
T01 << 1462364500.07649207 XC Correction (4936.01081s) stopped
T01 << 1462364500.07954597 Atomic (4946.24331s) stopped
T01 >> 1462364500.07964993 Communicate (3881.10197s) started
T01 << 1462364504.57444191 Communicate (3885.59676s) stopped
T01 << 1462364504.57446694 Hamiltonian (18600.19385s) stopped
T01 >> 1462364504.57453489 LCAO eigensolver (6725.15693s) started
T01 >> 1462364504.57454801 Potential matrix (219.15916s) started
T01 << 1462364504.85221100 Potential matrix (219.43682s) stopped
T01 >> 1462364504.85228896 DistributedAtomicCorrection (1122.52164s) started
T01 << 1462364506.25295210 DistributedAtomicCorrection (1123.92230s) stopped
T01 >> 1462364506.25303292 Distribute overlap matrix (985.67465s) started
T01 >> 1462364506.25305510 blocked summation (935.17095s) started
T01 << 1462364507.33105707 blocked summation (936.24895s) stopped
T01 >> 1462364507.33278394 Scalapack redistribute (49.13514s) started
T01 << 1462364507.39144897 Scalapack redistribute (49.19380s) stopped
T01 << 1462364507.39154696 Distribute overlap matrix (986.81316s) stopped
T01 >> 1462364507.39215994 Blacs Orbital Layouts (2308.27800s) started
T01 >> 1462364507.39330792 General diagonalize (2261.56576s) started
T01 << 1462364510.07054901 General diagonalize (2264.24300s) stopped
T01 >> 1462364510.07061410 Redistribute coefs (2.58467s) started
T01 << 1462364510.07436204 Redistribute coefs (2.58842s) stopped
T01 >> 1462364510.07440901 Send coefs to domains (42.74789s) started
T01 << 1462364510.12473011 Send coefs to domains (42.79821s) stopped
T01 << 1462364510.12500191 Blacs Orbital Layouts (2311.01084s) stopped
T01 >> 1462364510.12505198 Calculate projections (2088.79694s) started
T01 << 1462364512.58425903 Calculate projections (2091.25615s) stopped
T01 << 1462364512.58454108 LCAO eigensolver (6733.16694s) stopped
T01 >> 1462364512.58543491 Density (1659.48703s) started
T01 >> 1462364512.58544803 Pseudo density (1374.12188s) started
T01 >> 1462364512.58591604 Calculate density matrix (1234.33055s) started
T01 << 1462364514.18049407 Calculate density matrix (1235.92512s) stopped
T01 >> 1462364514.18058395 Construct density (137.79361s) started
T01 << 1462364514.36828899 Construct density (137.98132s) stopped
T01 >> 1462364514.37069392 Symmetrize density (0.03462s) started
T01 << 1462364514.37072706 Symmetrize density (0.03466s) stopped
T01 << 1462364514.37117195 Pseudo density (1375.90760s) stopped
T01 >> 1462364514.37119102 Atomic density matrices (189.46194s) started
T01 << 1462364514.61250401 Atomic density matrices (189.70325s) stopped
T01 >> 1462364514.61254597 Multipole moments (3.12279s) started
T01 << 1462364514.61656904 Multipole moments (3.12681s) stopped
T01 >> 1462364514.61659098 Normalize (0.85626s) started
T01 << 1462364514.61766195 Normalize (0.85733s) stopped
T01 >> 1462364514.61769795 Mix (91.87062s) started
T01 << 1462364514.73882103 Mix (91.99175s) stopped
T01 << 1462364514.73894095 Density (1661.64054s) stopped
T01 >> 1462364514.73906994 Hamiltonian (18600.19386s) started
T01 >> 1462364514.73909092 vbar (11.28428s) started
T01 << 1462364514.75308895 vbar (11.29828s) stopped
T01 >> 1462364514.75316811 XC 3D grid (8063.88187s) started
T01 >> 1462364514.93080997 van der Waals (7785.07644s) started
T01 >> 1462364514.97414804 semilocal (1744.35133s) started
T01 << 1462364517.19881010 semilocal (1746.57600s) stopped
T01 >> 1462364517.22921491 redistribute (837.56864s) started
T01 << 1462364517.61279893 redistribute (837.95222s) stopped
T01 >> 1462364517.61286807 libvdwxc nonlocal (5144.12251s) started
T01 << 1462364524.30998898 libvdwxc nonlocal (5150.81963s) stopped
T01 >> 1462364524.31007290 redistribute (837.95226s) started
T01 << 1462364524.96160793 redistribute (838.60379s) stopped
T01 << 1462364524.96269608 van der Waals (7795.10833s) stopped
T01 << 1462364525.13808393 XC 3D grid (8074.26678s) stopped
T01 >> 1462364525.13814092 Poisson (1612.68231s) started
T01 << 1462364527.49808788 Poisson (1615.04226s) stopped
T01 >> 1462364527.49816990 Hartree integrate/restrict (63.99203s) started
T01 << 1462364527.51696706 Hartree integrate/restrict (64.01083s) stopped
T01 >> 1462364527.51706290 Hartree integrate/restrict (64.01090s) started
T01 << 1462364527.58014107 Hartree integrate/restrict (64.07398s) stopped
T01 >> 1462364527.60126591 Atomic (4946.24332s) started
T01 >> 1462364527.61199594 XC Correction (4936.01083s) started
T01 << 1462364534.07346606 XC Correction (4942.47230s) stopped
T01 << 1462364534.07650709 Atomic (4952.71857s) stopped
T01 >> 1462364534.07661009 Communicate (3885.59678s) started
T01 << 1462364538.53870010 Communicate (3890.05887s) stopped
T01 << 1462364538.53872609 Hamiltonian (18623.99352s) stopped
T01 >> 1462364538.53879404 LCAO eigensolver (6733.16696s) started
T01 >> 1462364538.53880811 Potential matrix (219.43686s) started
T01 << 1462364538.81457996 Potential matrix (219.71263s) stopped
T01 >> 1462364538.81466198 DistributedAtomicCorrection (1123.92234s) started
T01 << 1462364540.20926690 DistributedAtomicCorrection (1125.31694s) stopped
T01 >> 1462364540.20934606 Distribute overlap matrix (986.81318s) started
T01 >> 1462364540.20936799 blocked summation (936.24899s) started
T01 << 1462364541.32418990 blocked summation (937.36381s) stopped
T01 >> 1462364541.32565999 Scalapack redistribute (49.19384s) started
T01 << 1462364541.38789010 Scalapack redistribute (49.25607s) stopped
T01 << 1462364541.38798690 Distribute overlap matrix (987.99182s) stopped
T01 >> 1462364541.38858509 Blacs Orbital Layouts (2311.01086s) started
T01 >> 1462364541.38975406 General diagonalize (2264.24304s) started
T01 << 1462364544.07548499 General diagonalize (2266.92877s) stopped
T01 >> 1462364544.07555103 Redistribute coefs (2.58845s) started
T01 << 1462364544.07891297 Redistribute coefs (2.59182s) stopped
T01 >> 1462364544.07896090 Send coefs to domains (42.79825s) started
T01 << 1462364544.12834191 Send coefs to domains (42.84763s) stopped
T01 << 1462364544.12859702 Blacs Orbital Layouts (2313.75087s) stopped
T01 >> 1462364544.12865496 Calculate projections (2091.25620s) started
T01 << 1462364546.58811402 Calculate projections (2093.71566s) stopped
T01 << 1462364546.58838797 LCAO eigensolver (6741.21655s) stopped
T01 >> 1462364546.58910203 Density (1661.64056s) started
T01 >> 1462364546.58911490 Pseudo density (1375.90762s) started
T01 >> 1462364546.58956599 Calculate density matrix (1235.92517s) started
T01 << 1462364548.18792892 Calculate density matrix (1237.52353s) stopped
T01 >> 1462364548.18801808 Construct density (137.98136s) started
T01 << 1462364548.37631297 Construct density (138.16965s) stopped
T01 >> 1462364548.37858009 Symmetrize density (0.03467s) started
T01 << 1462364548.37861300 Symmetrize density (0.03470s) stopped
T01 << 1462364548.37906599 Pseudo density (1377.69757s) stopped
T01 >> 1462364548.37908602 Atomic density matrices (189.70328s) started
T01 << 1462364548.61933398 Atomic density matrices (189.94353s) stopped
T01 >> 1462364548.61937499 Multipole moments (3.12683s) started
T01 << 1462364548.62342691 Multipole moments (3.13088s) stopped
T01 >> 1462364548.62345004 Normalize (0.85736s) started
T01 << 1462364548.62451506 Normalize (0.85842s) stopped
T01 >> 1462364548.62454891 Mix (91.99186s) started
T01 << 1462364548.74725890 Mix (92.11457s) stopped
T01 << 1462364548.74739408 Density (1663.79885s) stopped
T01 >> 1462364548.74752402 Hamiltonian (18623.99353s) started
T01 >> 1462364548.74754500 vbar (11.29832s) started
T01 << 1462364548.76149607 vbar (11.31227s) stopped
T01 >> 1462364548.76156402 XC 3D grid (8074.26682s) started
T01 >> 1462364548.93344998 van der Waals (7795.10842s) started
T01 >> 1462364548.97726703 semilocal (1746.57606s) started
T01 << 1462364551.20853496 semilocal (1748.80732s) stopped
T01 >> 1462364551.23845005 redistribute (838.60385s) started
T01 << 1462364551.63492608 redistribute (839.00033s) stopped
T01 >> 1462364551.63499403 libvdwxc nonlocal (5150.81968s) started
T01 << 1462364558.31826305 libvdwxc nonlocal (5157.50295s) stopped
T01 >> 1462364558.31834602 redistribute (839.00037s) started
T01 << 1462364558.97462606 redistribute (839.65665s) stopped
T01 << 1462364558.97589588 van der Waals (7805.15086s) stopped
T01 << 1462364559.15087795 XC 3D grid (8084.65614s) stopped
T01 >> 1462364559.15092707 Poisson (1615.04232s) started
T01 << 1462364560.92511797 Poisson (1616.81651s) stopped
T01 >> 1462364560.92519808 Hartree integrate/restrict (64.07401s) started
T01 << 1462364560.94430399 Hartree integrate/restrict (64.09312s) stopped
T01 >> 1462364560.94435310 Hartree integrate/restrict (64.09315s) started
T01 << 1462364561.01266408 Hartree integrate/restrict (64.16146s) stopped
T01 >> 1462364561.02843809 Atomic (4952.71858s) started
T01 >> 1462364561.03917694 XC Correction (4942.47233s) started
T01 << 1462364567.49203205 XC Correction (4948.92518s) stopped
T01 << 1462364567.49505305 Atomic (4959.18520s) stopped
T01 >> 1462364567.49515796 Communicate (3890.05889s) started
T01 << 1462364571.98766804 Communicate (3894.55140s) stopped
T01 << 1462364571.98769498 Hamiltonian (18647.23370s) stopped
T01 >> 1462364571.98776197 LCAO eigensolver (6741.21657s) started
T01 >> 1462364571.98777509 Potential matrix (219.71268s) started
T01 << 1462364572.26409507 Potential matrix (219.98900s) stopped
T01 >> 1462364572.26417208 DistributedAtomicCorrection (1125.31698s) started
T01 << 1462364573.66754794 DistributedAtomicCorrection (1126.72036s) stopped
T01 >> 1462364573.66762805 Distribute overlap matrix (987.99183s) started
T01 >> 1462364573.66765404 blocked summation (937.36385s) started
T01 << 1462364574.78568912 blocked summation (938.48189s) stopped
T01 >> 1462364574.78753591 Scalapack redistribute (49.25611s) started
T01 << 1462364574.84657192 Scalapack redistribute (49.31515s) stopped
T01 << 1462364574.84666991 Distribute overlap matrix (989.17087s) stopped
T01 >> 1462364574.84726501 Blacs Orbital Layouts (2313.75089s) started
T01 >> 1462364574.84843802 General diagonalize (2266.92881s) started
T01 << 1462364577.52011991 General diagonalize (2269.60050s) stopped
T01 >> 1462364577.52018404 Redistribute coefs (2.59185s) started
T01 << 1462364577.52380705 Redistribute coefs (2.59548s) stopped
T01 >> 1462364577.52385402 Send coefs to domains (42.84768s) started
T01 << 1462364577.57379198 Send coefs to domains (42.89761s) stopped
T01 << 1462364577.57409096 Blacs Orbital Layouts (2316.47772s) stopped
T01 >> 1462364577.57414103 Calculate projections (2093.71572s) started
T01 << 1462364580.03382206 Calculate projections (2096.17540s) stopped
T01 << 1462364580.03410506 LCAO eigensolver (6749.26291s) stopped
T01 >> 1462364580.03485107 Density (1663.79887s) started
T01 >> 1462364580.03486395 Pseudo density (1377.69758s) started
T01 >> 1462364580.03531599 Calculate density matrix (1237.52357s) started
T01 << 1462364581.62912512 Calculate density matrix (1239.11738s) stopped
T01 >> 1462364581.62921095 Construct density (138.16968s) started
T01 << 1462364581.81683111 Construct density (138.35730s) stopped
T01 >> 1462364581.81913495 Symmetrize density (0.03471s) started
T01 << 1462364581.81916690 Symmetrize density (0.03474s) stopped
T01 << 1462364581.81961703 Pseudo density (1379.48234s) stopped
T01 >> 1462364581.81963706 Atomic density matrices (189.94355s) started
T01 << 1462364582.05977297 Atomic density matrices (190.18369s) stopped
T01 >> 1462364582.05981493 Multipole moments (3.13089s) started
T01 << 1462364582.06385994 Multipole moments (3.13494s) stopped
T01 >> 1462364582.06388307 Normalize (0.85845s) started
T01 << 1462364582.06495094 Normalize (0.85952s) stopped
T01 >> 1462364582.06498504 Mix (92.11470s) started
T01 << 1462364582.18658710 Mix (92.23630s) stopped
T01 << 1462364582.18671298 Density (1665.95073s) stopped
T01 >> 1462364582.18684506 Hamiltonian (18647.23371s) started
T01 >> 1462364582.18686390 vbar (11.31231s) started
T01 << 1462364582.20083094 vbar (11.32628s) stopped
T01 >> 1462364582.20091510 XC 3D grid (8084.65617s) started
T01 >> 1462364582.37709308 van der Waals (7805.15097s) started
T01 >> 1462364582.41938996 semilocal (1748.80745s) started
T01 << 1462364584.65254998 semilocal (1751.04061s) stopped
T01 >> 1462364584.68402505 redistribute (839.65674s) started
T01 << 1462364585.06267309 redistribute (840.03539s) stopped
T01 >> 1462364585.06274104 libvdwxc nonlocal (5157.50301s) started
T01 << 1462364591.76280499 libvdwxc nonlocal (5164.20307s) stopped
T01 >> 1462364591.76288891 redistribute (840.03543s) started
T01 << 1462364592.42386508 redistribute (840.69640s) stopped
T01 << 1462364592.42520499 van der Waals (7815.19909s) stopped
T01 << 1462364592.60096002 XC 3D grid (8095.05622s) stopped
T01 >> 1462364592.60101104 Poisson (1616.81657s) started
T01 << 1462364594.37574196 Poisson (1618.59130s) stopped
T01 >> 1462364594.37581491 Hartree integrate/restrict (64.16150s) started
T01 << 1462364594.39488792 Hartree integrate/restrict (64.18057s) stopped
T01 >> 1462364594.39493704 Hartree integrate/restrict (64.18060s) started
T01 << 1462364594.46207905 Hartree integrate/restrict (64.24774s) stopped
T01 >> 1462364594.47810602 Atomic (4959.18521s) started
T01 >> 1462364594.48893809 XC Correction (4948.92521s) started
T01 << 1462364600.95796204 XC Correction (4955.39423s) stopped
T01 << 1462364600.96101499 Atomic (4965.66812s) stopped
T01 >> 1462364600.96111798 Communicate (3894.55141s) started
T01 << 1462364605.50253701 Communicate (3899.09283s) stopped
T01 << 1462364605.50255990 Hamiltonian (18670.54943s) stopped
T01 >> 1462364605.50262499 LCAO eigensolver (6749.26293s) started
T01 >> 1462364605.50263810 Potential matrix (219.98904s) started
T01 << 1462364605.77842808 Potential matrix (220.26483s) stopped
T01 >> 1462364605.77850389 DistributedAtomicCorrection (1126.72040s) started
T01 << 1462364607.18936706 DistributedAtomicCorrection (1128.13126s) stopped
T01 >> 1462364607.18944812 Distribute overlap matrix (989.17089s) started
T01 >> 1462364607.18947005 blocked summation (938.48192s) started
T01 << 1462364608.24362612 blocked summation (939.53608s) stopped
T01 >> 1462364608.24545598 Scalapack redistribute (49.31518s) started
T01 << 1462364608.30440998 Scalapack redistribute (49.37414s) stopped
T01 << 1462364608.30450702 Distribute overlap matrix (990.28594s) stopped
T01 >> 1462364608.30513096 Blacs Orbital Layouts (2316.47773s) started
T01 >> 1462364608.30628204 General diagonalize (2269.60053s) started
T01 << 1462364610.97945189 General diagonalize (2272.27370s) stopped
T01 >> 1462364610.97951698 Redistribute coefs (2.59551s) started
T01 << 1462364610.98307991 Redistribute coefs (2.59908s) stopped
T01 >> 1462364610.98312712 Send coefs to domains (42.89766s) started
T01 << 1462364611.03379512 Send coefs to domains (42.94833s) stopped
T01 << 1462364611.03405809 Blacs Orbital Layouts (2319.20666s) stopped
T01 >> 1462364611.03411508 Calculate projections (2096.17546s) started
T01 << 1462364613.49365807 Calculate projections (2098.63500s) stopped
T01 << 1462364613.49393892 LCAO eigensolver (6757.25425s) stopped
T01 >> 1462364613.49483895 Density (1665.95075s) started
T01 >> 1462364613.49485207 Pseudo density (1379.48235s) started
T01 >> 1462364613.49530506 Calculate density matrix (1239.11743s) started
T01 << 1462364615.08736610 Calculate density matrix (1240.70949s) stopped
T01 >> 1462364615.08744907 Construct density (138.35734s) started
T01 << 1462364615.27510595 Construct density (138.54500s) stopped
T01 >> 1462364615.27749610 Symmetrize density (0.03476s) started
T01 << 1462364615.27752805 Symmetrize density (0.03479s) stopped
T01 << 1462364615.27798891 Pseudo density (1381.26549s) stopped
T01 >> 1462364615.27800894 Atomic density matrices (190.18372s) started
T01 << 1462364615.51767993 Atomic density matrices (190.42339s) stopped
T01 >> 1462364615.51772308 Multipole moments (3.13496s) started
T01 << 1462364615.52179408 Multipole moments (3.13903s) stopped
T01 >> 1462364615.52181697 Normalize (0.85954s) started
T01 << 1462364615.52288604 Normalize (0.86061s) stopped
T01 >> 1462364615.52292109 Mix (92.23642s) started
T01 << 1462364615.64502192 Mix (92.35852s) stopped
T01 << 1462364615.64514589 Density (1668.10106s) stopped
T01 >> 1462364615.64527607 Hamiltonian (18670.54944s) started
T01 >> 1462364615.64529705 vbar (11.32633s) started
T01 << 1462364615.65932608 vbar (11.34036s) stopped
T01 >> 1462364615.65940094 XC 3D grid (8095.05626s) started
T01 >> 1462364615.83636189 van der Waals (7815.19919s) started
T01 >> 1462364615.88011503 semilocal (1751.04066s) started
T01 << 1462364618.12228703 semilocal (1753.28283s) stopped
T01 >> 1462364618.15183496 redistribute (840.69650s) started
T01 << 1462364618.53367996 redistribute (841.07835s) stopped
T01 >> 1462364618.53374791 libvdwxc nonlocal (5164.20313s) started
T01 << 1462364625.24429893 libvdwxc nonlocal (5170.91368s) stopped
T01 >> 1462364625.24436808 redistribute (841.07838s) started
T01 << 1462364625.89491105 redistribute (841.72893s) stopped
T01 << 1462364625.89631391 van der Waals (7825.25914s) stopped
T01 << 1462364626.07200909 XC 3D grid (8105.46887s) stopped
T01 >> 1462364626.07206702 Poisson (1618.59135s) started
T01 << 1462364627.84977603 Poisson (1620.36906s) stopped
T01 >> 1462364627.84989500 Hartree integrate/restrict (64.24778s) started
T01 << 1462364627.86870694 Hartree integrate/restrict (64.26659s) stopped
T01 >> 1462364627.86879706 Hartree integrate/restrict (64.26665s) started
T01 << 1462364627.93698907 Hartree integrate/restrict (64.33484s) stopped
T01 >> 1462364627.95397902 Atomic (4965.66814s) started
T01 >> 1462364627.96480298 XC Correction (4955.39425s) started
T01 << 1462364634.47238207 XC Correction (4961.90183s) stopped
T01 << 1462364634.47543812 Atomic (4972.18960s) stopped
T01 >> 1462364634.47554111 Communicate (3899.09285s) started
T01 << 1462364638.85586095 Communicate (3903.47317s) stopped
T01 << 1462364638.85588408 Hamiltonian (18693.76005s) stopped
T01 >> 1462364638.85595012 LCAO eigensolver (6757.25426s) started
T01 >> 1462364638.85596299 Potential matrix (220.26487s) started
T01 << 1462364639.13119698 Potential matrix (220.54010s) stopped
T01 >> 1462364639.13127398 DistributedAtomicCorrection (1128.13130s) started
T01 << 1462364640.54159498 DistributedAtomicCorrection (1129.54162s) stopped
T01 >> 1462364640.54167700 Distribute overlap matrix (990.28598s) started
T01 >> 1462364640.54169989 blocked summation (939.53613s) started
T01 << 1462364641.65162611 blocked summation (940.64606s) stopped
T01 >> 1462364641.65309811 Scalapack redistribute (49.37418s) started
T01 << 1462364641.71221495 Scalapack redistribute (49.43329s) stopped
T01 << 1462364641.71230888 Distribute overlap matrix (991.45661s) stopped
T01 >> 1462364641.71290898 Blacs Orbital Layouts (2319.20668s) started
T01 >> 1462364641.71415210 General diagonalize (2272.27374s) started
T01 << 1462364644.39581299 General diagonalize (2274.95540s) stopped
T01 >> 1462364644.39587808 Redistribute coefs (2.59911s) started
T01 << 1462364644.39883709 Redistribute coefs (2.60207s) stopped
T01 >> 1462364644.39888692 Send coefs to domains (42.94837s) started
T01 << 1462364644.44959092 Send coefs to domains (42.99907s) stopped
T01 << 1462364644.44991493 Blacs Orbital Layouts (2321.94368s) stopped
T01 >> 1462364644.44996810 Calculate projections (2098.63506s) started
T01 << 1462364646.90942907 Calculate projections (2101.09452s) stopped
T01 << 1462364646.90971088 LCAO eigensolver (6765.30802s) stopped
T01 >> 1462364646.91042209 Density (1668.10108s) started
T01 >> 1462364646.91043496 Pseudo density (1381.26550s) started
T01 >> 1462364646.91089106 Calculate density matrix (1240.70953s) started
T01 << 1462364648.50575590 Calculate density matrix (1242.30439s) stopped
T01 >> 1462364648.50584102 Construct density (138.54503s) started
T01 << 1462364648.69409204 Construct density (138.73328s) stopped
T01 >> 1462364648.69637489 Symmetrize density (0.03480s) started
T01 << 1462364648.69640708 Symmetrize density (0.03483s) stopped
T01 << 1462364648.69686508 Pseudo density (1383.05193s) stopped
T01 >> 1462364648.69688511 Atomic density matrices (190.42342s) started
T01 << 1462364648.93581390 Atomic density matrices (190.66235s) stopped
T01 >> 1462364648.93585706 Multipole moments (3.13904s) started
T01 << 1462364648.93992209 Multipole moments (3.14311s) stopped
T01 >> 1462364648.93994498 Normalize (0.86064s) started
T01 << 1462364648.94103193 Normalize (0.86172s) stopped
T01 >> 1462364648.94106698 Mix (92.35864s) started
T01 << 1462364649.06407499 Mix (92.48165s) stopped
T01 << 1462364649.06419396 Density (1670.25485s) stopped
T01 >> 1462364649.06430197 Hamiltonian (18693.76007s) started
T01 >> 1462364649.06432104 vbar (11.34040s) started
T01 << 1462364649.07799602 vbar (11.35408s) stopped
T01 >> 1462364649.07806301 XC 3D grid (8105.46891s) started
T01 >> 1462364649.24638510 van der Waals (7825.25921s) started
T01 >> 1462364649.29082799 semilocal (1753.28290s) started
T01 << 1462364651.50673008 semilocal (1755.49881s) stopped
T01 >> 1462364651.53733993 redistribute (841.72901s) started
T01 << 1462364651.94031692 redistribute (842.13199s) stopped
T01 >> 1462364651.94038606 libvdwxc nonlocal (5170.91372s) started
T01 << 1462364658.64238906 libvdwxc nonlocal (5177.61573s) stopped
T01 >> 1462364658.64247298 redistribute (842.13203s) started
T01 << 1462364659.29693389 redistribute (842.78649s) stopped
T01 << 1462364659.29816294 van der Waals (7835.31099s) stopped
T01 << 1462364659.47277188 XC 3D grid (8115.86362s) stopped
T01 >> 1462364659.47282195 Poisson (1620.36915s) started
T01 << 1462364660.66314006 Poisson (1621.55947s) stopped
T01 >> 1462364660.66321492 Hartree integrate/restrict (64.33489s) started
T01 << 1462364660.68225193 Hartree integrate/restrict (64.35393s) stopped
T01 >> 1462364660.68231511 Hartree integrate/restrict (64.35397s) started
T01 << 1462364660.74489093 Hartree integrate/restrict (64.41655s) stopped
T01 >> 1462364660.76692510 Atomic (4972.18962s) started
T01 >> 1462364660.77774310 XC Correction (4961.90185s) started
T01 << 1462364667.27393794 XC Correction (4968.39805s) stopped
T01 << 1462364667.27699208 Atomic (4978.69968s) stopped
T01 >> 1462364667.27709293 Communicate (3903.47318s) started
T01 << 1462364671.68776798 Communicate (3907.88386s) stopped
T01 << 1462364671.68779111 Hamiltonian (18716.38355s) stopped
T01 >> 1462364671.68785691 LCAO eigensolver (6765.30804s) started
T01 >> 1462364671.68787003 Potential matrix (220.54014s) started
T01 << 1462364671.96646500 Potential matrix (220.81874s) stopped
T01 >> 1462364671.96657991 DistributedAtomicCorrection (1129.54166s) started
T01 << 1462364673.37569904 DistributedAtomicCorrection (1130.95078s) stopped
T01 >> 1462364673.37577796 Distribute overlap matrix (991.45662s) started
T01 >> 1462364673.37579989 blocked summation (940.64610s) started
T01 << 1462364674.48317003 blocked summation (941.75347s) stopped
T01 >> 1462364674.48490310 Scalapack redistribute (49.43333s) started
T01 << 1462364674.54489207 Scalapack redistribute (49.49332s) stopped
T01 << 1462364674.54498506 Distribute overlap matrix (992.62583s) stopped
T01 >> 1462364674.54557705 Blacs Orbital Layouts (2321.94370s) started
T01 >> 1462364674.54673910 General diagonalize (2274.95544s) started
T01 << 1462364677.22756505 General diagonalize (2277.63627s) stopped
T01 >> 1462364677.22762990 Redistribute coefs (2.60211s) started
T01 << 1462364677.23131108 Redistribute coefs (2.60579s) stopped
T01 >> 1462364677.23135900 Send coefs to domains (42.99912s) started
T01 << 1462364677.28153110 Send coefs to domains (43.04929s) stopped
T01 << 1462364677.28180695 Blacs Orbital Layouts (2324.67993s) stopped
T01 >> 1462364677.28186202 Calculate projections (2101.09458s) started
T01 << 1462364679.74150610 Calculate projections (2103.55422s) stopped
T01 << 1462364679.74179101 LCAO eigensolver (6773.36198s) stopped
T01 >> 1462364679.74252701 Density (1670.25487s) started
T01 >> 1462364679.74253988 Pseudo density (1383.05195s) started
T01 >> 1462364679.74300003 Calculate density matrix (1242.30444s) started
T01 << 1462364681.34780788 Calculate density matrix (1243.90925s) stopped
T01 >> 1462364681.34789300 Construct density (138.73332s) started
T01 << 1462364681.53527498 Construct density (138.92070s) stopped
T01 >> 1462364681.53756404 Symmetrize density (0.03484s) started
T01 << 1462364681.53759789 Symmetrize density (0.03488s) stopped
T01 << 1462364681.53805304 Pseudo density (1384.84746s) stopped
T01 >> 1462364681.53807306 Atomic density matrices (190.66238s) started
T01 << 1462364681.77778506 Atomic density matrices (190.90209s) stopped
T01 >> 1462364681.77782607 Multipole moments (3.14312s) started
T01 << 1462364681.78188801 Multipole moments (3.14718s) stopped
T01 >> 1462364681.78190994 Normalize (0.86175s) started
T01 << 1462364681.78298903 Normalize (0.86283s) stopped
T01 >> 1462364681.78302407 Mix (92.48176s) started
T01 << 1462364681.90461397 Mix (92.60335s) stopped
T01 << 1462364681.90473700 Density (1672.41708s) stopped
T01 >> 1462364681.90487194 Hamiltonian (18716.38357s) started
T01 >> 1462364681.90489411 vbar (11.35411s) started
T01 << 1462364681.91880608 vbar (11.36803s) stopped
T01 >> 1462364681.91886497 XC 3D grid (8115.86366s) started
T01 >> 1462364682.09628892 van der Waals (7835.31106s) started
T01 >> 1462364682.14027309 semilocal (1755.49890s) started
T01 << 1462364684.36418796 semilocal (1757.72282s) stopped
T01 >> 1462364684.39484692 redistribute (842.78655s) started
T01 << 1462364684.78033400 redistribute (843.17204s) stopped
T01 >> 1462364684.78040409 libvdwxc nonlocal (5177.61578s) started
T01 << 1462364691.45661902 libvdwxc nonlocal (5184.29200s) stopped
T01 >> 1462364691.45672607 redistribute (843.17208s) started
T01 << 1462364692.10903406 redistribute (843.82438s) stopped
T01 << 1462364692.11019206 van der Waals (7845.32496s) stopped
T01 << 1462364692.28894806 XC 3D grid (8126.23374s) stopped
T01 >> 1462364692.28899789 Poisson (1621.55952s) started
T01 << 1462364694.05698800 Poisson (1623.32751s) stopped
T01 >> 1462364694.05706692 Hartree integrate/restrict (64.41659s) started
T01 << 1462364694.07602596 Hartree integrate/restrict (64.43555s) stopped
T01 >> 1462364694.07607603 Hartree integrate/restrict (64.43558s) started
T01 << 1462364694.14424706 Hartree integrate/restrict (64.50375s) stopped
T01 >> 1462364694.15988588 Atomic (4978.69970s) started
T01 >> 1462364694.17072201 XC Correction (4968.39807s) started
T01 << 1462364700.58017302 XC Correction (4974.80752s) stopped
T01 << 1462364700.58324003 Atomic (4985.12306s) stopped
T01 >> 1462364700.58333993 Communicate (3907.88387s) started
T01 << 1462364705.09821200 Communicate (3912.39875s) stopped
T01 << 1462364705.09823608 Hamiltonian (18739.57693s) stopped
T01 >> 1462364705.09830308 LCAO eigensolver (6773.36199s) started
T01 >> 1462364705.09831595 Potential matrix (220.81882s) started
T01 << 1462364705.37465906 Potential matrix (221.09516s) stopped
T01 >> 1462364705.37473702 DistributedAtomicCorrection (1130.95081s) started
T01 << 1462364706.81426311 DistributedAtomicCorrection (1132.39034s) stopped
T01 >> 1462364706.81434393 Distribute overlap matrix (992.62584s) started
T01 >> 1462364706.81436706 blocked summation (941.75351s) started
T01 << 1462364707.88303804 blocked summation (942.82218s) stopped
T01 >> 1462364707.88471794 Scalapack redistribute (49.49336s) started
T01 << 1462364707.94509792 Scalapack redistribute (49.55374s) stopped
T01 << 1462364707.94518590 Distribute overlap matrix (993.75668s) stopped
T01 >> 1462364707.94578791 Blacs Orbital Layouts (2324.67995s) started
T01 >> 1462364707.94695306 General diagonalize (2277.63631s) started
T01 << 1462364710.61896205 General diagonalize (2280.30832s) stopped
T01 >> 1462364710.61902595 Redistribute coefs (2.60583s) started
T01 << 1462364710.62269711 Redistribute coefs (2.60950s) stopped
T01 >> 1462364710.62274289 Send coefs to domains (43.04933s) started
T01 << 1462364710.67354012 Send coefs to domains (43.10013s) stopped
T01 << 1462364710.67381811 Blacs Orbital Layouts (2327.40798s) stopped
T01 >> 1462364710.67387199 Calculate projections (2103.55428s) started
T01 << 1462364713.13343906 Calculate projections (2106.01385s) stopped
T01 << 1462364713.13372397 LCAO eigensolver (6781.39742s) stopped
T01 << 1462364713.13461995 SCF-cycle (27194.09975s) stopped
T01 >> 1462364714.04034400 Force calculation (1662.14647s) started
T01 >> 1462364714.04040790 LCAO forces (1025.45544s) started
T01 >> 1462364714.04076409 Initial (0.00121s) started
T01 << 1462364714.04077601 Initial (0.00122s) stopped
T01 >> 1462364714.04518890 Get density matrix (200.52666s) started
T01 << 1462364714.64595389 Get density matrix (201.12743s) stopped
T01 >> 1462364714.64599991 Potential (74.00711s) started
T01 << 1462364716.09389496 Potential (75.45500s) stopped
T01 >> 1462364716.09396100 Get density matrix (201.12746s) started
T01 << 1462364719.35037994 Get density matrix (204.38388s) stopped
T01 >> 1462364719.35044694 Prepare TCI loop (99.59621s) started
T01 >> 1462364719.35098791 Get neighbors (94.40579s) started
T01 << 1462364721.21326089 Get neighbors (96.26806s) stopped
T01 >> 1462364721.21349692 broadcast dH (5.15311s) started
T01 << 1462364721.23511100 broadcast dH (5.17472s) stopped
T01 << 1462364721.23516011 Prepare TCI loop (101.48092s) stopped
T01 >> 1462364721.23518109 Not so complicated loop (143.59818s) started
T01 << 1462364723.98499703 Not so complicated loop (146.34799s) stopped
T01 >> 1462364724.11238909 Complicated loop (500.30801s) started
T01 << 1462364733.89065909 Complicated loop (510.08628s) stopped
T01 >> 1462364733.90652800 Wait for sum (0.00302s) started
T01 << 1462364733.90657401 Wait for sum (0.00306s) stopped
T01 << 1462364733.90658689 LCAO forces (1045.32162s) stopped
T01 << 1462364748.16702390 Force calculation (1696.27315s) stopped
T01 >> 1462364748.18496490 Initialization (2711.61989s) started
T01 << 1462364748.18518209 Initialization (2711.62011s) stopped
T01 >> 1462364748.18547511 Initialization (2711.62013s) started
T01 << 1462364748.18561506 Initialization (2711.62027s) stopped
T01 >> 1462364748.18576407 Initialization (2711.62028s) started
T01 << 1462364748.18590093 Initialization (2711.62042s) stopped
T01 >> 1462364768.55527711 Initialization (2711.62044s) started
T01 >> 1462364768.61593199 Basic WFS set positions (5.27105s) started
T01 >> 1462364768.61595893 Redistribute (0.10736s) started
T01 << 1462364768.62074304 Redistribute (0.11214s) stopped
T01 << 1462364768.72043490 Basic WFS set positions (5.37556s) stopped
T01 >> 1462364768.72046900 Basis functions set positions (22.33856s) started
T01 << 1462364769.12968206 Basis functions set positions (22.74777s) stopped
T01 >> 1462364769.13111711 TCI: Calculate S, T, P (814.11066s) started
T01 << 1462364784.64791012 TCI: Calculate S, T, P (829.62745s) stopped
T01 >> 1462364784.64800191 blocked summation (218.96713s) started
T01 << 1462364788.40161991 blocked summation (222.72075s) stopped
T01 >> 1462364788.40302205 Scalapack redistribute (13.18747s) started
T01 << 1462364788.46212506 Scalapack redistribute (13.24657s) stopped
T01 >> 1462364788.46265292 blocked summation (222.72080s) started
T01 << 1462364788.62143707 blocked summation (222.87958s) stopped
T01 >> 1462364788.62308097 Scalapack redistribute (13.24664s) started
T01 << 1462364788.82619190 Scalapack redistribute (13.44975s) stopped
T01 >> 1462364788.82775307 Redistribute (0.10890s) started
T01 << 1462364788.82879210 Redistribute (0.10994s) stopped
T01 >> 1462364789.75415802 Redistribute (0.10996s) started
T01 << 1462364789.75526309 Redistribute (0.11106s) stopped
T01 >> 1462364789.76540804 LCAO WFS Initialize (1581.52197s) started
T01 >> 1462364789.76543808 Density initialize from wavefunctions (64.83624s) started
T01 >> 1462364789.76585007 Calculate density matrix (37.39939s) started
T01 << 1462364790.47427511 Calculate density matrix (38.10782s) stopped
T01 >> 1462364790.47433996 Construct density (9.39064s) started
T01 << 1462364790.66244292 Construct density (9.57875s) stopped
T01 >> 1462364790.66404104 Symmetrize density (0.00233s) started
T01 << 1462364790.66407394 Symmetrize density (0.00237s) stopped
T01 << 1462364791.00284004 Density initialize from wavefunctions (66.07365s) stopped
T01 >> 1462364791.00371695 Hamiltonian (1516.45948s) started
T01 >> 1462364791.00379109 vbar (0.79553s) started
T01 << 1462364791.01805091 vbar (0.80979s) stopped
T01 >> 1462364791.01815391 XC 3D grid (556.59605s) started
T01 >> 1462364791.19903302 van der Waals (537.30174s) started
T01 >> 1462364791.24248004 semilocal (119.75488s) started
T01 << 1462364793.45990205 semilocal (121.97230s) stopped
T01 >> 1462364793.49131298 redistribute (57.07096s) started
T01 << 1462364793.87606311 redistribute (57.45571s) stopped
T01 >> 1462364793.87611294 libvdwxc nonlocal (356.40531s) started
T01 << 1462364800.58657694 libvdwxc nonlocal (363.11577s) stopped
T01 >> 1462364800.58666492 redistribute (57.45575s) started
T01 << 1462364801.22452211 redistribute (58.09361s) stopped
T01 << 1462364801.22571111 van der Waals (547.32842s) stopped
T01 << 1462364801.40571594 XC 3D grid (566.98361s) stopped
T01 >> 1462364801.40576506 Poisson (253.07484s) started
T01 << 1462364806.07588100 Poisson (257.74495s) stopped
T01 >> 1462364806.07594490 Hartree integrate/restrict (4.38827s) started
T01 << 1462364806.09527493 Hartree integrate/restrict (4.40760s) stopped
T01 >> 1462364806.09532189 Hartree integrate/restrict (4.40763s) started
T01 << 1462364806.15617609 Hartree integrate/restrict (4.46848s) stopped
T01 >> 1462364806.17388296 Atomic (356.73410s) started
T01 >> 1462364806.18491101 XC Correction (356.01222s) started
T01 << 1462364812.90367699 XC Correction (362.73099s) stopped
T01 << 1462364812.90680194 Atomic (363.46702s) stopped
T01 >> 1462364812.90707207 Communicate (343.71318s) started
T01 << 1462364819.15955210 Communicate (349.96566s) stopped
T01 << 1462364819.15957594 Hamiltonian (1544.61534s) stopped
T01 << 1462364819.15962911 LCAO WFS Initialize (1610.91619s) stopped
T01 << 1462364819.17178202 Initialization (2762.23694s) stopped
T01 >> 1462364819.19682598 SCF-cycle (27194.09976s) started
T01 >> 1462364819.19686699 LCAO eigensolver (6781.39743s) started
T01 >> 1462364819.19688010 Potential matrix (221.09521s) started
T01 << 1462364819.47442389 Potential matrix (221.37275s) stopped
T01 >> 1462364819.47450209 DistributedAtomicCorrection (1132.39038s) started
T01 << 1462364820.89523911 DistributedAtomicCorrection (1133.81112s) stopped
T01 >> 1462364820.89532304 Distribute overlap matrix (993.75670s) started
T01 >> 1462364820.89534593 blocked summation (942.82222s) started
T01 << 1462364821.99437404 blocked summation (943.92125s) stopped
T01 >> 1462364821.99578595 Scalapack redistribute (49.55378s) started
T01 << 1462364822.05324888 Scalapack redistribute (49.61124s) stopped
T01 << 1462364822.05332994 Distribute overlap matrix (994.91470s) stopped
T01 >> 1462364822.05394411 Blacs Orbital Layouts (2327.40799s) started
T01 >> 1462364822.05532193 General diagonalize (2280.30836s) started
T01 << 1462364824.74433899 General diagonalize (2282.99737s) stopped
T01 >> 1462364824.74438810 Redistribute coefs (2.60954s) started
T01 << 1462364824.74717307 Redistribute coefs (2.61232s) stopped
T01 >> 1462364824.74721599 Send coefs to domains (43.10017s) started
T01 << 1462364824.79779291 Send coefs to domains (43.15075s) stopped
T01 << 1462364824.79813099 Blacs Orbital Layouts (2330.15218s) stopped
T01 >> 1462364824.79816294 Calculate projections (2106.01391s) started
T01 << 1462364827.27947497 Calculate projections (2108.49522s) stopped
T01 << 1462364827.27955604 LCAO eigensolver (6789.48012s) stopped
T01 >> 1462364827.28038096 Density (1672.41710s) started
T01 >> 1462364827.28039408 Pseudo density (1384.84748s) started
T01 >> 1462364827.28084993 Calculate density matrix (1243.90929s) started
T01 << 1462364828.84684706 Calculate density matrix (1245.47528s) stopped
T01 >> 1462364828.84691191 Construct density (138.92073s) started
T01 << 1462364829.03479195 Construct density (139.10861s) stopped
T01 >> 1462364829.03639293 Symmetrize density (0.03489s) started
T01 << 1462364829.03642797 Symmetrize density (0.03492s) stopped
T01 << 1462364829.03688192 Pseudo density (1386.60397s) stopped
T01 >> 1462364829.03690195 Atomic density matrices (190.90212s) started
T01 << 1462364829.28135395 Atomic density matrices (191.14657s) stopped
T01 >> 1462364829.28139496 Multipole moments (3.14720s) started
T01 << 1462364829.28555894 Multipole moments (3.15136s) stopped
T01 >> 1462364829.28558207 Normalize (0.86285s) started
T01 << 1462364829.28664708 Normalize (0.86392s) stopped
T01 >> 1462364829.28668189 Mix (92.60347s) started
T01 << 1462364829.39248610 Mix (92.70927s) stopped
T01 << 1462364829.39259005 Density (1674.52931s) stopped
T01 >> 1462364829.39269805 Hamiltonian (18739.57694s) started
T01 >> 1462364829.39271903 vbar (11.36806s) started
T01 << 1462364829.40686703 vbar (11.38221s) stopped
T01 >> 1462364829.40696812 XC 3D grid (8126.23378s) started
T01 >> 1462364829.58174109 van der Waals (7845.32504s) started
T01 >> 1462364829.62504601 semilocal (1757.72291s) started
T01 << 1462364831.84244895 semilocal (1759.94031s) stopped
T01 >> 1462364831.87373400 redistribute (843.82444s) started
T01 << 1462364832.27252889 redistribute (844.22323s) stopped
T01 >> 1462364832.27259994 libvdwxc nonlocal (5184.29208s) started
T01 << 1462364838.95997405 libvdwxc nonlocal (5190.97945s) stopped
T01 >> 1462364838.96005011 redistribute (844.22327s) started
T01 << 1462364839.61072206 redistribute (844.87394s) stopped
T01 << 1462364839.61206007 van der Waals (7855.35535s) stopped
T01 << 1462364839.79082704 XC 3D grid (8136.61764s) stopped
T01 >> 1462364839.79088402 Poisson (1623.32757s) started
T01 << 1462364841.56860209 Poisson (1625.10529s) stopped
T01 >> 1462364841.56871796 Hartree integrate/restrict (64.50378s) started
T01 << 1462364841.58775091 Hartree integrate/restrict (64.52282s) stopped
T01 >> 1462364841.58786607 Hartree integrate/restrict (64.52290s) started
T01 << 1462364841.65377092 Hartree integrate/restrict (64.58880s) stopped
T01 >> 1462364841.67094302 Atomic (4985.12307s) started
T01 >> 1462364841.68165588 XC Correction (4974.80755s) started
T01 << 1462364848.39005804 XC Correction (4981.51595s) stopped
T01 << 1462364848.39312410 Atomic (4991.84525s) stopped
T01 >> 1462364848.39328289 Communicate (3912.39876s) started
T01 << 1462364854.19375300 Communicate (3918.19923s) stopped
T01 << 1462364854.19377708 Hamiltonian (18764.37802s) stopped
T01 >> 1462364854.19385099 LCAO eigensolver (6789.48014s) started
T01 >> 1462364854.19386411 Potential matrix (221.37279s) started
T01 << 1462364854.47038603 Potential matrix (221.64932s) stopped
T01 >> 1462364854.47046208 DistributedAtomicCorrection (1133.81116s) started
T01 << 1462364855.88722491 DistributedAtomicCorrection (1135.22792s) stopped
T01 >> 1462364855.88733912 Distribute overlap matrix (994.91472s) started
T01 >> 1462364855.88736200 blocked summation (943.92129s) started
T01 << 1462364856.98638105 blocked summation (945.02030s) stopped
T01 >> 1462364856.98779297 Scalapack redistribute (49.61128s) started
T01 << 1462364857.04644704 Scalapack redistribute (49.66994s) stopped
T01 << 1462364857.04653096 Distribute overlap matrix (996.07391s) stopped
T01 >> 1462364857.04715800 Blacs Orbital Layouts (2330.15220s) started
T01 >> 1462364857.04850197 General diagonalize (2282.99741s) started
T01 << 1462364859.75248599 General diagonalize (2285.70140s) stopped
T01 >> 1462364859.75255299 Redistribute coefs (2.61236s) started
T01 << 1462364859.75530696 Redistribute coefs (2.61511s) stopped
T01 >> 1462364859.75538707 Send coefs to domains (43.15079s) started
T01 << 1462364859.80595398 Send coefs to domains (43.20136s) stopped
T01 << 1462364859.80629611 Blacs Orbital Layouts (2332.91134s) stopped
T01 >> 1462364859.80634594 Calculate projections (2108.49527s) started
T01 << 1462364862.28774095 Calculate projections (2110.97667s) stopped
T01 << 1462364862.28782201 LCAO eigensolver (6797.57411s) stopped
T01 >> 1462364862.28866291 Density (1674.52932s) started
T01 >> 1462364862.28867698 Pseudo density (1386.60398s) started
T01 >> 1462364862.28912807 Calculate density matrix (1245.47533s) started
T01 << 1462364863.85517406 Calculate density matrix (1247.04137s) stopped
T01 >> 1462364863.85524106 Construct density (139.10865s) started
T01 << 1462364864.04386902 Construct density (139.29728s) stopped
T01 >> 1462364864.04545999 Symmetrize density (0.03493s) started
T01 << 1462364864.04549193 Symmetrize density (0.03497s) stopped
T01 << 1462364864.04594111 Pseudo density (1388.36124s) stopped
T01 >> 1462364864.04595995 Atomic density matrices (191.14660s) started
T01 << 1462364864.28904295 Atomic density matrices (191.38968s) stopped
T01 >> 1462364864.28908610 Multipole moments (3.15138s) started
T01 << 1462364864.29319000 Multipole moments (3.15548s) stopped
T01 >> 1462364864.29321194 Normalize (0.86394s) started
T01 << 1462364864.29426599 Normalize (0.86499s) stopped
T01 >> 1462364864.29429889 Mix (92.70937s) started
T01 << 1462364864.40473509 Mix (92.81981s) stopped
T01 << 1462364864.40486312 Density (1676.64552s) stopped
T01 >> 1462364864.40498090 Hamiltonian (18764.37804s) started
T01 >> 1462364864.40500212 vbar (11.38227s) started
T01 << 1462364864.41908407 vbar (11.39635s) stopped
T01 >> 1462364864.41916704 XC 3D grid (8136.61768s) started
T01 >> 1462364864.59828806 van der Waals (7855.35540s) started
T01 >> 1462364864.64130807 semilocal (1759.94040s) started
T01 << 1462364866.88158107 semilocal (1762.18068s) stopped
T01 >> 1462364866.91155910 redistribute (844.87398s) started
T01 << 1462364867.29467106 redistribute (845.25710s) stopped
T01 >> 1462364867.29474306 libvdwxc nonlocal (5190.97951s) started
T01 << 1462364873.98209691 libvdwxc nonlocal (5197.66687s) stopped
T01 >> 1462364873.98218012 redistribute (845.25714s) started
T01 << 1462364874.63045192 redistribute (845.90541s) stopped
T01 << 1462364874.63172603 van der Waals (7865.38883s) stopped
T01 << 1462364874.81325197 XC 3D grid (8147.01177s) stopped
T01 >> 1462364874.81330204 Poisson (1625.10538s) started
T01 << 1462364876.58920503 Poisson (1626.88128s) stopped
T01 >> 1462364876.58930492 Hartree integrate/restrict (64.58883s) started
T01 << 1462364876.60850692 Hartree integrate/restrict (64.60803s) stopped
T01 >> 1462364876.60856295 Hartree integrate/restrict (64.60807s) started
T01 << 1462364876.67562795 Hartree integrate/restrict (64.67514s) stopped
T01 >> 1462364876.69288492 Atomic (4991.84527s) started
T01 >> 1462364876.70350695 XC Correction (4981.51597s) started
T01 << 1462364883.10974407 XC Correction (4987.92221s) stopped
T01 << 1462364883.11283112 Atomic (4998.26522s) stopped
T01 >> 1462364883.11299205 Communicate (3918.19925s) started
T01 << 1462364888.68370795 Communicate (3923.76997s) stopped
T01 << 1462364888.68373203 Hamiltonian (18788.65679s) stopped
T01 >> 1462364888.68380594 LCAO eigensolver (6797.57412s) started
T01 >> 1462364888.68382001 Potential matrix (221.64936s) started
T01 << 1462364888.96194291 Potential matrix (221.92748s) stopped
T01 >> 1462364888.96201801 DistributedAtomicCorrection (1135.22799s) started
T01 << 1462364890.38833904 DistributedAtomicCorrection (1136.65431s) stopped
T01 >> 1462364890.38842106 Distribute overlap matrix (996.07392s) started
T01 >> 1462364890.38844299 blocked summation (945.02034s) started
T01 << 1462364891.49249101 blocked summation (946.12439s) stopped
T01 >> 1462364891.49391007 Scalapack redistribute (49.66998s) started
T01 << 1462364891.55889797 Scalapack redistribute (49.73496s) stopped
T01 << 1462364891.55897903 Distribute overlap matrix (997.24448s) stopped
T01 >> 1462364891.55958605 Blacs Orbital Layouts (2332.91136s) started
T01 >> 1462364891.56093407 General diagonalize (2285.70143s) started
T01 << 1462364894.24038696 General diagonalize (2288.38089s) stopped
T01 >> 1462364894.24045396 Redistribute coefs (2.61514s) started
T01 << 1462364894.24312997 Redistribute coefs (2.61782s) stopped
T01 >> 1462364894.24317598 Send coefs to domains (43.20140s) started
T01 << 1462364894.29481006 Send coefs to domains (43.25303s) stopped
T01 << 1462364894.29516006 Blacs Orbital Layouts (2335.64693s) stopped
T01 >> 1462364894.29521298 Calculate projections (2110.97672s) started
T01 << 1462364896.77683496 Calculate projections (2113.45834s) stopped
T01 << 1462364896.77691388 LCAO eigensolver (6805.66723s) stopped
T01 >> 1462364896.77763104 Density (1676.64554s) started
T01 >> 1462364896.77764797 Pseudo density (1388.36126s) started
T01 >> 1462364896.77809906 Calculate density matrix (1247.04142s) started
T01 << 1462364898.34906101 Calculate density matrix (1248.61238s) stopped
T01 >> 1462364898.34914207 Construct density (139.29731s) started
T01 << 1462364898.53709888 Construct density (139.48527s) stopped
T01 >> 1462364898.53853798 Symmetrize density (0.03498s) started
T01 << 1462364898.53857207 Symmetrize density (0.03501s) stopped
T01 << 1462364898.53901792 Pseudo density (1390.12263s) stopped
T01 >> 1462364898.53903699 Atomic density matrices (191.38971s) started
T01 << 1462364898.78239799 Atomic density matrices (191.63307s) stopped
T01 >> 1462364898.78243899 Multipole moments (3.15550s) started
T01 << 1462364898.78659892 Multipole moments (3.15966s) stopped
T01 >> 1462364898.78662109 Normalize (0.86502s) started
T01 << 1462364898.78766203 Normalize (0.86606s) stopped
T01 >> 1462364898.78769708 Mix (92.81993s) started
T01 << 1462364898.90133405 Mix (92.93357s) stopped
T01 << 1462364898.90145707 Density (1678.76937s) stopped
T01 >> 1462364898.90157199 Hamiltonian (18788.65680s) started
T01 >> 1462364898.90159106 vbar (11.39639s) started
T01 << 1462364898.91582203 vbar (11.41063s) stopped
T01 >> 1462364898.91590500 XC 3D grid (8147.01180s) started
T01 >> 1462364899.09281611 van der Waals (7865.38888s) started
T01 >> 1462364899.13670492 semilocal (1762.18073s) started
T01 << 1462364901.35905790 semilocal (1764.40309s) stopped
T01 >> 1462364901.39207411 redistribute (845.90546s) started
T01 << 1462364901.78865695 redistribute (846.30204s) stopped
T01 >> 1462364901.78872895 libvdwxc nonlocal (5197.66692s) started
T01 << 1462364908.49337411 libvdwxc nonlocal (5204.37157s) stopped
T01 >> 1462364908.49345899 redistribute (846.30208s) started
T01 << 1462364909.13757610 redistribute (846.94620s) stopped
T01 << 1462364909.13879609 van der Waals (7875.43486s) stopped
T01 << 1462364909.31773996 XC 3D grid (8157.41364s) stopped
T01 >> 1462364909.31779003 Poisson (1626.88136s) started
T01 << 1462364911.67478395 Poisson (1629.23836s) stopped
T01 >> 1462364911.67485809 Hartree integrate/restrict (64.67518s) started
T01 << 1462364911.69385600 Hartree integrate/restrict (64.69418s) stopped
T01 >> 1462364911.69390106 Hartree integrate/restrict (64.69421s) started
T01 << 1462364911.75566101 Hartree integrate/restrict (64.75597s) stopped
T01 >> 1462364911.77934504 Atomic (4998.26523s) started
T01 >> 1462364911.78987193 XC Correction (4987.92223s) started
T01 << 1462364918.11316800 XC Correction (4994.24553s) stopped
T01 << 1462364918.11623001 Atomic (5004.60212s) stopped
T01 >> 1462364918.11638904 Communicate (3923.76998s) started
T01 << 1462364923.56233811 Communicate (3929.21593s) stopped
T01 << 1462364923.56236196 Hamiltonian (18813.31759s) stopped
T01 >> 1462364923.56243801 LCAO eigensolver (6805.66724s) started
T01 >> 1462364923.56244993 Potential matrix (221.92752s) started
T01 << 1462364923.84042597 Potential matrix (222.20550s) stopped
T01 >> 1462364923.84050202 DistributedAtomicCorrection (1136.65435s) started
T01 << 1462364925.25391793 DistributedAtomicCorrection (1138.06776s) stopped
T01 >> 1462364925.25400209 Distribute overlap matrix (997.24449s) started
T01 >> 1462364925.25402403 blocked summation (946.12443s) started
T01 << 1462364926.34832096 blocked summation (947.21873s) stopped
T01 >> 1462364926.34973407 Scalapack redistribute (49.73500s) started
T01 << 1462364926.41039610 Scalapack redistribute (49.79566s) stopped
T01 << 1462364926.41047907 Distribute overlap matrix (998.40097s) stopped
T01 >> 1462364926.41109300 Blacs Orbital Layouts (2335.64694s) started
T01 >> 1462364926.41245508 General diagonalize (2288.38092s) started
T01 << 1462364929.08521008 General diagonalize (2291.05368s) stopped
T01 >> 1462364929.08527708 Redistribute coefs (2.61786s) started
T01 << 1462364929.08802009 Redistribute coefs (2.62060s) stopped
T01 >> 1462364929.08810401 Send coefs to domains (43.25308s) started
T01 << 1462364929.13945889 Send coefs to domains (43.30443s) stopped
T01 << 1462364929.13979101 Blacs Orbital Layouts (2338.37564s) stopped
T01 >> 1462364929.13984394 Calculate projections (2113.45840s) started
T01 << 1462364931.62112999 Calculate projections (2115.93968s) stopped
T01 << 1462364931.62121201 LCAO eigensolver (6813.72601s) stopped
T01 >> 1462364931.62212896 Density (1678.76939s) started
T01 >> 1462364931.62214208 Pseudo density (1390.12264s) started
T01 >> 1462364931.62259197 Calculate density matrix (1248.61242s) started
T01 << 1462364933.20695591 Calculate density matrix (1250.19678s) stopped
T01 >> 1462364933.20703793 Construct density (139.48530s) started
T01 << 1462364933.39488506 Construct density (139.67315s) stopped
T01 >> 1462364933.39651394 Symmetrize density (0.03502s) started
T01 << 1462364933.39654589 Symmetrize density (0.03505s) stopped
T01 << 1462364933.39699507 Pseudo density (1391.89750s) stopped
T01 >> 1462364933.39701509 Atomic density matrices (191.63309s) started
T01 << 1462364933.64051890 Atomic density matrices (191.87660s) stopped
T01 >> 1462364933.64055896 Multipole moments (3.15967s) started
T01 << 1462364933.64471292 Multipole moments (3.16383s) stopped
T01 >> 1462364933.64473605 Normalize (0.86608s) started
T01 << 1462364933.64578795 Normalize (0.86713s) stopped
T01 >> 1462364933.64582205 Mix (92.93369s) started
T01 << 1462364933.76165295 Mix (93.04952s) stopped
T01 << 1462364933.76177192 Density (1680.90903s) stopped
T01 >> 1462364933.76189303 Hamiltonian (18813.31760s) started
T01 >> 1462364933.76191497 vbar (11.41067s) started
T01 << 1462364933.77597594 vbar (11.42473s) stopped
T01 >> 1462364933.77605391 XC 3D grid (8157.41368s) started
T01 >> 1462364933.95397401 van der Waals (7875.43490s) started
T01 >> 1462364933.99731112 semilocal (1764.40315s) started
T01 << 1462364936.23449993 semilocal (1766.64034s) stopped
T01 >> 1462364936.26472712 redistribute (846.94625s) started
T01 << 1462364936.63836098 redistribute (847.31988s) stopped
T01 >> 1462364936.63843489 libvdwxc nonlocal (5204.37163s) started
T01 << 1462364943.33297610 libvdwxc nonlocal (5211.06617s) stopped
T01 >> 1462364943.33305693 redistribute (847.31992s) started
T01 << 1462364943.99494004 redistribute (847.98180s) stopped
T01 << 1462364943.99648499 van der Waals (7885.47742s) stopped
T01 << 1462364944.16712904 XC 3D grid (8167.80475s) stopped
T01 >> 1462364944.16720390 Poisson (1629.23841s) started
T01 << 1462364946.52702689 Poisson (1631.59823s) stopped
T01 >> 1462364946.52715397 Hartree integrate/restrict (64.75600s) started
T01 << 1462364946.54606605 Hartree integrate/restrict (64.77492s) stopped
T01 >> 1462364946.54618907 Hartree integrate/restrict (64.77501s) started
T01 << 1462364946.61266994 Hartree integrate/restrict (64.84149s) stopped
T01 >> 1462364946.62947607 Atomic (5004.60213s) started
T01 >> 1462364946.64003801 XC Correction (4994.24555s) started
T01 << 1462364952.99489307 XC Correction (5000.60041s) stopped
T01 << 1462364952.99797511 Atomic (5010.97063s) stopped
T01 >> 1462364952.99813509 Communicate (3929.21595s) started
T01 << 1462364957.85656691 Communicate (3934.07438s) stopped
T01 << 1462364957.85659099 Hamiltonian (18837.41230s) stopped
T01 >> 1462364957.85666895 LCAO eigensolver (6813.72603s) started
T01 >> 1462364957.85668302 Potential matrix (222.20554s) started
T01 << 1462364958.13313103 Potential matrix (222.48199s) stopped
T01 >> 1462364958.13320494 DistributedAtomicCorrection (1138.06780s) started
T01 << 1462364959.54882312 DistributedAtomicCorrection (1139.48342s) stopped
T01 >> 1462364959.54890490 Distribute overlap matrix (998.40098s) started
T01 >> 1462364959.54892802 blocked summation (947.21877s) started
T01 << 1462364960.65604806 blocked summation (948.32589s) stopped
T01 >> 1462364960.65782809 Scalapack redistribute (49.79570s) started
T01 << 1462364960.71751499 Scalapack redistribute (49.85539s) stopped
T01 << 1462364960.71759796 Distribute overlap matrix (999.56967s) stopped
T01 >> 1462364960.71819305 Blacs Orbital Layouts (2338.37566s) started
T01 >> 1462364960.71954393 General diagonalize (2291.05372s) started
T01 << 1462364963.38701892 General diagonalize (2293.72119s) stopped
T01 >> 1462364963.38706899 Redistribute coefs (2.62064s) started
T01 << 1462364963.39070010 Redistribute coefs (2.62427s) stopped
T01 >> 1462364963.39074707 Send coefs to domains (43.30448s) started
T01 << 1462364963.44002390 Send coefs to domains (43.35375s) stopped
T01 << 1462364963.44031096 Blacs Orbital Layouts (2341.09778s) stopped
T01 >> 1462364963.44036603 Calculate projections (2115.93974s) started
T01 << 1462364965.92185307 Calculate projections (2118.42122s) stopped
T01 << 1462364965.92213202 LCAO eigensolver (6821.79149s) stopped
T01 >> 1462364965.92301893 Density (1680.90905s) started
T01 >> 1462364965.92303205 Pseudo density (1391.89751s) started
T01 >> 1462364965.92348504 Calculate density matrix (1250.19683s) started
T01 << 1462364967.49989605 Calculate density matrix (1251.77324s) stopped
T01 >> 1462364967.49998498 Construct density (139.67319s) started
T01 << 1462364967.68865108 Construct density (139.86185s) stopped
T01 >> 1462364967.69107890 Symmetrize density (0.03507s) started
T01 << 1462364967.69111204 Symmetrize density (0.03510s) stopped
T01 << 1462364967.69155192 Pseudo density (1393.66603s) stopped
T01 >> 1462364967.69157195 Atomic density matrices (191.87663s) started
T01 << 1462364967.93368793 Atomic density matrices (192.11874s) stopped
T01 >> 1462364967.93372893 Multipole moments (3.16384s) started
T01 << 1462364967.93785691 Multipole moments (3.16797s) stopped
T01 >> 1462364967.93787909 Normalize (0.86716s) started
T01 << 1462364967.93894410 Normalize (0.86822s) stopped
T01 >> 1462364967.93897891 Mix (93.04963s) started
T01 << 1462364968.05925989 Mix (93.16991s) stopped
T01 << 1462364968.05938292 Density (1683.04542s) stopped
T01 >> 1462364968.05949998 Hamiltonian (18837.41232s) started
T01 >> 1462364968.05952096 vbar (11.42478s) started
T01 << 1462364968.07340193 vbar (11.43866s) stopped
T01 >> 1462364968.07348490 XC 3D grid (8167.80481s) started
T01 >> 1462364968.25514793 van der Waals (7885.47747s) started
T01 >> 1462364968.29663610 semilocal (1766.64040s) started
T01 << 1462364970.51810503 semilocal (1768.86187s) stopped
T01 >> 1462364970.54774904 redistribute (847.98186s) started
T01 << 1462364970.95060897 redistribute (848.38472s) stopped
T01 >> 1462364970.95070910 libvdwxc nonlocal (5211.06622s) started
T01 << 1462364977.64580989 libvdwxc nonlocal (5217.76132s) stopped
T01 >> 1462364977.64588690 redistribute (848.38478s) started
T01 << 1462364978.29961801 redistribute (849.03851s) stopped
T01 << 1462364978.30065393 van der Waals (7895.52297s) stopped
T01 << 1462364978.47797394 XC 3D grid (8178.20930s) stopped
T01 >> 1462364978.47801995 Poisson (1631.59833s) started
T01 << 1462364980.83137393 Poisson (1633.95169s) stopped
T01 >> 1462364980.83144999 Hartree integrate/restrict (64.84153s) started
T01 << 1462364980.85041904 Hartree integrate/restrict (64.86050s) stopped
T01 >> 1462364980.85049295 Hartree integrate/restrict (64.86055s) started
T01 << 1462364980.91812897 Hartree integrate/restrict (64.92818s) stopped
T01 >> 1462364980.93321800 Atomic (5010.97065s) started
T01 >> 1462364980.94394112 XC Correction (5000.60043s) started
T01 << 1462364987.37990093 XC Correction (5007.03639s) stopped
T01 << 1462364987.38297105 Atomic (5017.42040s) stopped
T01 >> 1462364987.38313103 Communicate (3934.07439s) started
T01 << 1462364992.09839296 Communicate (3938.78966s) stopped
T01 << 1462364992.09841609 Hamiltonian (18861.45123s) stopped
T01 >> 1462364992.09849095 LCAO eigensolver (6821.79151s) started
T01 >> 1462364992.09850407 Potential matrix (222.48203s) started
T01 << 1462364992.37615299 Potential matrix (222.75968s) stopped
T01 >> 1462364992.37622809 DistributedAtomicCorrection (1139.48346s) started
T01 << 1462364993.79394102 DistributedAtomicCorrection (1140.90117s) stopped
T01 >> 1462364993.79402399 Distribute overlap matrix (999.56969s) started
T01 >> 1462364993.79404593 blocked summation (948.32593s) started
T01 << 1462364994.87016606 blocked summation (949.40205s) stopped
T01 >> 1462364994.87184000 Scalapack redistribute (49.85543s) started
T01 << 1462364994.93057299 Scalapack redistribute (49.91416s) stopped
T01 << 1462364994.93066406 Distribute overlap matrix (1000.70633s) stopped
T01 >> 1462364994.93124604 Blacs Orbital Layouts (2341.09780s) started
T01 >> 1462364994.93239498 General diagonalize (2293.72123s) started
T01 << 1462364997.59472609 General diagonalize (2296.38356s) stopped
T01 >> 1462364997.59479308 Redistribute coefs (2.62430s) started
T01 << 1462364997.59855795 Redistribute coefs (2.62807s) stopped
T01 >> 1462364997.59860492 Send coefs to domains (43.35379s) started
T01 << 1462364997.64819694 Send coefs to domains (43.40339s) stopped
T01 << 1462364997.64848089 Blacs Orbital Layouts (2343.81503s) stopped
T01 >> 1462364997.64853501 Calculate projections (2118.42128s) started
T01 << 1462365000.13029003 Calculate projections (2120.90304s) stopped
T01 << 1462365000.13056397 LCAO eigensolver (6829.82358s) stopped
T01 >> 1462365000.13130689 Density (1683.04544s) started
T01 >> 1462365000.13132000 Pseudo density (1393.66605s) started
T01 >> 1462365000.13176703 Calculate density matrix (1251.77328s) started
T01 << 1462365001.71291208 Calculate density matrix (1253.35443s) stopped
T01 >> 1462365001.71299791 Construct density (139.86189s) started
T01 << 1462365001.90125299 Construct density (140.05014s) stopped
T01 >> 1462365001.90356302 Symmetrize density (0.03511s) started
T01 << 1462365001.90359306 Symmetrize density (0.03514s) stopped
T01 << 1462365001.90404010 Pseudo density (1395.43877s) stopped
T01 >> 1462365001.90405989 Atomic density matrices (192.11877s) started
T01 << 1462365002.14599204 Atomic density matrices (192.36070s) stopped
T01 >> 1462365002.14603305 Multipole moments (3.16798s) started
T01 << 1462365002.15011096 Multipole moments (3.17206s) stopped
T01 >> 1462365002.15013289 Normalize (0.86825s) started
T01 << 1462365002.15118790 Normalize (0.86930s) stopped
T01 >> 1462365002.15122294 Mix (93.17003s) started
T01 << 1462365002.27200007 Mix (93.29081s) stopped
T01 << 1462365002.27212501 Density (1685.18626s) stopped
T01 >> 1462365002.27227306 Hamiltonian (18861.45124s) started
T01 >> 1462365002.27229404 vbar (11.43871s) started
T01 << 1462365002.28679991 vbar (11.45321s) stopped
T01 >> 1462365002.28689504 XC 3D grid (8178.20933s) started
T01 >> 1462365002.46547103 van der Waals (7895.52308s) started
T01 >> 1462365002.50819707 semilocal (1768.86199s) started
T01 << 1462365004.72835112 semilocal (1771.08214s) stopped
T01 >> 1462365004.75994110 redistribute (849.03856s) started
T01 << 1462365005.15492392 redistribute (849.43355s) stopped
T01 >> 1462365005.15499902 libvdwxc nonlocal (5217.76138s) started
T01 << 1462365011.82866693 libvdwxc nonlocal (5224.43504s) stopped
T01 >> 1462365011.82874203 redistribute (849.43358s) started
T01 << 1462365012.49036598 redistribute (850.09521s) stopped
T01 << 1462365012.49165606 van der Waals (7905.54926s) stopped
T01 << 1462365012.66620803 XC 3D grid (8188.58865s) stopped
T01 >> 1462365012.66625500 Poisson (1633.95174s) started
T01 << 1462365014.45172501 Poisson (1635.73721s) stopped
T01 >> 1462365014.45180297 Hartree integrate/restrict (64.92822s) started
T01 << 1462365014.47076011 Hartree integrate/restrict (64.94718s) stopped
T01 >> 1462365014.47080302 Hartree integrate/restrict (64.94721s) started
T01 << 1462365014.53318501 Hartree integrate/restrict (65.00959s) stopped
T01 >> 1462365014.55560303 Atomic (5017.42042s) started
T01 >> 1462365014.56652308 XC Correction (5007.03641s) started
T01 << 1462365021.01329589 XC Correction (5013.48319s) stopped
T01 << 1462365021.01642799 Atomic (5023.88125s) stopped
T01 >> 1462365021.01659107 Communicate (3938.78967s) started
T01 << 1462365025.72017288 Communicate (3943.49325s) stopped
T01 << 1462365025.72019792 Hamiltonian (18884.89917s) stopped
T01 >> 1462365025.72028494 LCAO eigensolver (6829.82360s) started
T01 >> 1462365025.72029805 Potential matrix (222.75972s) started
T01 << 1462365025.99925399 Potential matrix (223.03867s) stopped
T01 >> 1462365025.99933195 DistributedAtomicCorrection (1140.90121s) started
T01 << 1462365027.42311811 DistributedAtomicCorrection (1142.32500s) stopped
T01 >> 1462365027.42319894 Distribute overlap matrix (1000.70634s) started
T01 >> 1462365027.42322206 blocked summation (949.40209s) started
T01 << 1462365028.49506497 blocked summation (950.47393s) stopped
T01 >> 1462365028.49680305 Scalapack redistribute (49.91420s) started
T01 << 1462365028.55564690 Scalapack redistribute (49.97304s) stopped
T01 << 1462365028.55574203 Distribute overlap matrix (1001.83888s) stopped
T01 >> 1462365028.55634308 Blacs Orbital Layouts (2343.81505s) started
T01 >> 1462365028.55793405 General diagonalize (2296.38360s) started
T01 << 1462365031.23779798 General diagonalize (2299.06346s) stopped
T01 >> 1462365031.23786497 Redistribute coefs (2.62810s) started
T01 << 1462365031.24107504 Redistribute coefs (2.63131s) stopped
T01 >> 1462365031.24112105 Send coefs to domains (43.40343s) started
T01 << 1462365031.29152298 Send coefs to domains (43.45383s) stopped
T01 << 1462365031.29193902 Blacs Orbital Layouts (2346.55064s) stopped
T01 >> 1462365031.29198694 Calculate projections (2120.90309s) started
T01 << 1462365033.77361989 Calculate projections (2123.38472s) stopped
T01 << 1462365033.77389789 LCAO eigensolver (6837.87721s) stopped
T01 >> 1462365033.77461696 Density (1685.18628s) started
T01 >> 1462365033.77463007 Pseudo density (1395.43878s) started
T01 >> 1462365033.77507591 Calculate density matrix (1253.35447s) started
T01 << 1462365035.35372210 Calculate density matrix (1254.93312s) stopped
T01 >> 1462365035.35380411 Construct density (140.05019s) started
T01 << 1462365035.54264593 Construct density (140.23903s) stopped
T01 >> 1462365035.54492307 Symmetrize density (0.03515s) started
T01 << 1462365035.54495502 Symmetrize density (0.03519s) stopped
T01 << 1462365035.54539394 Pseudo density (1397.20954s) stopped
T01 >> 1462365035.54541612 Atomic density matrices (192.36073s) started
T01 << 1462365035.78736091 Atomic density matrices (192.60268s) stopped
T01 >> 1462365035.78740191 Multipole moments (3.17208s) started
T01 << 1462365035.79148889 Multipole moments (3.17616s) stopped
T01 >> 1462365035.79151201 Normalize (0.86933s) started
T01 << 1462365035.79257298 Normalize (0.87039s) stopped
T01 >> 1462365035.79260802 Mix (93.29093s) started
T01 << 1462365035.91321206 Mix (93.41153s) stopped
T01 << 1462365035.91331792 Density (1687.32498s) stopped
T01 >> 1462365035.91345191 Hamiltonian (18884.89918s) started
T01 >> 1462365035.91347194 vbar (11.45327s) started
T01 << 1462365035.92749596 vbar (11.46729s) stopped
T01 >> 1462365035.92757607 XC 3D grid (8188.58868s) started
T01 >> 1462365036.11088896 van der Waals (7905.54932s) started
T01 >> 1462365036.15399504 semilocal (1771.08225s) started
T01 << 1462365038.38272595 semilocal (1773.31098s) stopped
T01 >> 1462365038.41189599 redistribute (850.09530s) started
T01 << 1462365038.80341792 redistribute (850.48682s) stopped
T01 >> 1462365038.80349112 libvdwxc nonlocal (5224.43509s) started
T01 << 1462365045.49528694 libvdwxc nonlocal (5231.12689s) stopped
T01 >> 1462365045.49535704 redistribute (850.48686s) started
T01 << 1462365046.15936303 redistribute (851.15087s) stopped
T01 << 1462365046.16076207 van der Waals (7915.59919s) stopped
T01 << 1462365046.33422589 XC 3D grid (8198.99533s) stopped
T01 >> 1462365046.33427811 Poisson (1635.73727s) started
T01 << 1462365048.69376993 Poisson (1638.09676s) stopped
T01 >> 1462365048.69389606 Hartree integrate/restrict (65.00963s) started
T01 << 1462365048.71273708 Hartree integrate/restrict (65.02847s) stopped
T01 >> 1462365048.71284890 Hartree integrate/restrict (65.02854s) started
T01 << 1462365048.78032207 Hartree integrate/restrict (65.09601s) stopped
T01 >> 1462365048.79324198 Atomic (5023.88126s) started
T01 >> 1462365048.80408692 XC Correction (5013.48321s) started
T01 << 1462365055.18076611 XC Correction (5019.85989s) stopped
T01 << 1462365055.18383908 Atomic (5030.27186s) stopped
T01 >> 1462365055.18400002 Communicate (3943.49327s) started
T01 << 1462365059.86585689 Communicate (3948.17513s) stopped
T01 << 1462365059.86588311 Hamiltonian (18908.85161s) stopped
T01 >> 1462365059.86597204 LCAO eigensolver (6837.87723s) started
T01 >> 1462365059.86598492 Potential matrix (223.03872s) started
T01 << 1462365060.14120603 Potential matrix (223.31394s) stopped
T01 >> 1462365060.14128089 DistributedAtomicCorrection (1142.32504s) started
T01 << 1462365061.57492995 DistributedAtomicCorrection (1143.75869s) stopped
T01 >> 1462365061.57501006 Distribute overlap matrix (1001.83890s) started
T01 >> 1462365061.57503295 blocked summation (950.47397s) started
T01 << 1462365062.64003706 blocked summation (951.53897s) stopped
T01 >> 1462365062.64154792 Scalapack redistribute (49.97308s) started
T01 << 1462365062.70278192 Scalapack redistribute (50.03432s) stopped
T01 << 1462365062.70286608 Distribute overlap matrix (1002.96675s) stopped
T01 >> 1462365062.70344901 Blacs Orbital Layouts (2346.55066s) started
T01 >> 1462365062.70459604 General diagonalize (2299.06350s) started
T01 << 1462365065.40141702 General diagonalize (2301.76032s) stopped
T01 >> 1462365065.40148401 Redistribute coefs (2.63135s) started
T01 << 1462365065.40523410 Redistribute coefs (2.63510s) stopped
T01 >> 1462365065.40528107 Send coefs to domains (43.45387s) started
T01 << 1462365065.45578194 Send coefs to domains (43.50437s) stopped
T01 << 1462365065.45606208 Blacs Orbital Layouts (2349.30327s) stopped
T01 >> 1462365065.45611191 Calculate projections (2123.38478s) started
T01 << 1462365067.93780303 Calculate projections (2125.86647s) stopped
T01 << 1462365067.93808007 LCAO eigensolver (6845.94934s) stopped
T01 >> 1462365067.93880010 Density (1687.32500s) started
T01 >> 1462365067.93881392 Pseudo density (1397.20956s) started
T01 >> 1462365067.93926811 Calculate density matrix (1254.93316s) started
T01 << 1462365069.52033210 Calculate density matrix (1256.51422s) stopped
T01 >> 1462365069.52041101 Construct density (140.23906s) started
T01 << 1462365069.70885110 Construct density (140.42750s) stopped
T01 >> 1462365069.71115804 Symmetrize density (0.03520s) started
T01 << 1462365069.71119189 Symmetrize density (0.03523s) stopped
T01 << 1462365069.71162891 Pseudo density (1398.98237s) stopped
T01 >> 1462365069.71165204 Atomic density matrices (192.60270s) started
T01 << 1462365069.95393896 Atomic density matrices (192.84499s) stopped
T01 >> 1462365069.95398092 Multipole moments (3.17618s) started
T01 << 1462365069.95811701 Multipole moments (3.18032s) stopped
T01 >> 1462365069.95813799 Normalize (0.87041s) started
T01 << 1462365069.95918798 Normalize (0.87146s) stopped
T01 >> 1462365069.95922303 Mix (93.41163s) started
T01 << 1462365070.07999897 Mix (93.53241s) stopped
T01 << 1462365070.08012795 Density (1689.46633s) stopped
T01 >> 1462365070.08024597 Hamiltonian (18908.85162s) started
T01 >> 1462365070.08026695 vbar (11.46734s) started
T01 << 1462365070.09453607 vbar (11.48161s) stopped
T01 >> 1462365070.09461498 XC 3D grid (8198.99537s) started
T01 >> 1462365070.27361107 van der Waals (7915.59923s) started
T01 >> 1462365070.31621504 semilocal (1773.31104s) started
T01 << 1462365072.53583908 semilocal (1775.53067s) stopped
T01 >> 1462365072.56660891 redistribute (851.15095s) started
T01 << 1462365072.95724297 redistribute (851.54159s) stopped
T01 >> 1462365072.95732498 libvdwxc nonlocal (5231.12693s) started
T01 << 1462365079.66002297 libvdwxc nonlocal (5237.82963s) stopped
T01 >> 1462365079.66009808 redistribute (851.54163s) started
T01 << 1462365080.31511903 redistribute (852.19665s) stopped
T01 << 1462365080.31625509 van der Waals (7925.64188s) stopped
T01 << 1462365080.49495506 XC 3D grid (8209.39571s) stopped
T01 >> 1462365080.49501491 Poisson (1638.09686s) started
T01 << 1462365082.84378290 Poisson (1640.44563s) stopped
T01 >> 1462365082.84388709 Hartree integrate/restrict (65.09605s) started
T01 << 1462365082.86311197 Hartree integrate/restrict (65.11527s) stopped
T01 >> 1462365082.86316299 Hartree integrate/restrict (65.11531s) started
T01 << 1462365082.92542100 Hartree integrate/restrict (65.17757s) stopped
T01 >> 1462365082.94651198 Atomic (5030.27188s) started
T01 >> 1462365082.95723009 XC Correction (5019.85991s) started
T01 << 1462365089.32005310 XC Correction (5026.22274s) stopped
T01 << 1462365089.32311702 Atomic (5036.64848s) stopped
T01 >> 1462365089.32327795 Communicate (3948.17514s) started
T01 << 1462365094.11369109 Communicate (3952.96556s) stopped
T01 << 1462365094.11371803 Hamiltonian (18932.88510s) stopped
T01 >> 1462365094.11380601 LCAO eigensolver (6845.94936s) started
T01 >> 1462365094.11382008 Potential matrix (223.31398s) started
T01 << 1462365094.39270902 Potential matrix (223.59287s) stopped
T01 >> 1462365094.39278412 DistributedAtomicCorrection (1143.75872s) started
T01 << 1462365095.82567310 DistributedAtomicCorrection (1145.19161s) stopped
T01 >> 1462365095.82575393 Distribute overlap matrix (1002.96677s) started
T01 >> 1462365095.82577610 blocked summation (951.53901s) started
T01 << 1462365096.87926412 blocked summation (952.59249s) stopped
T01 >> 1462365096.88098407 Scalapack redistribute (50.03436s) started
T01 << 1462365096.94022703 Scalapack redistribute (50.09360s) stopped
T01 << 1462365096.94031096 Distribute overlap matrix (1004.08132s) stopped
T01 >> 1462365096.94091606 Blacs Orbital Layouts (2349.30329s) started
T01 >> 1462365096.94208789 General diagonalize (2301.76036s) started
T01 << 1462365099.60661697 General diagonalize (2304.42489s) stopped
T01 >> 1462365099.60668802 Redistribute coefs (2.63514s) started
T01 << 1462365099.61043406 Redistribute coefs (2.63888s) stopped
T01 >> 1462365099.61048102 Send coefs to domains (43.50442s) started
T01 << 1462365099.66085196 Send coefs to domains (43.55479s) stopped
T01 << 1462365099.66112900 Blacs Orbital Layouts (2352.02351s) stopped
T01 >> 1462365099.66117692 Calculate projections (2125.86653s) started
T01 << 1462365102.14279509 Calculate projections (2128.34815s) stopped
T01 << 1462365102.14307404 LCAO eigensolver (6853.97863s) stopped
T01 >> 1462365102.14379907 Density (1689.46635s) started
T01 >> 1462365102.14381194 Pseudo density (1398.98239s) started
T01 >> 1462365102.14425898 Calculate density matrix (1256.51426s) started
T01 << 1462365103.72416997 Calculate density matrix (1258.09418s) stopped
T01 >> 1462365103.72425199 Construct density (140.42754s) started
T01 << 1462365103.91225696 Construct density (140.61554s) stopped
T01 >> 1462365103.91456294 Symmetrize density (0.03524s) started
T01 << 1462365103.91459703 Symmetrize density (0.03528s) stopped
T01 << 1462365103.91503906 Pseudo density (1400.75362s) stopped
T01 >> 1462365103.91505909 Atomic density matrices (192.84502s) started
T01 << 1462365104.15717697 Atomic density matrices (193.08714s) stopped
T01 >> 1462365104.15724111 Multipole moments (3.18033s) started
T01 << 1462365104.16136503 Multipole moments (3.18445s) stopped
T01 >> 1462365104.16138697 Normalize (0.87149s) started
T01 << 1462365104.16242909 Normalize (0.87253s) stopped
T01 >> 1462365104.16246390 Mix (93.53253s) started
T01 << 1462365104.28402710 Mix (93.65409s) stopped
T01 << 1462365104.28415489 Density (1691.60670s) stopped
T01 >> 1462365104.28427005 Hamiltonian (18932.88511s) started
T01 >> 1462365104.28429008 vbar (11.48165s) started
T01 << 1462365104.29832792 vbar (11.49569s) stopped
T01 >> 1462365104.29840708 XC 3D grid (8209.39576s) started
T01 >> 1462365104.47724509 van der Waals (7925.64196s) started
T01 >> 1462365104.51958990 semilocal (1775.53078s) started
T01 << 1462365106.74012399 semilocal (1777.75131s) stopped
T01 >> 1462365106.77027607 redistribute (852.19671s) started
T01 << 1462365107.16914511 redistribute (852.59558s) stopped
T01 >> 1462365107.16921711 libvdwxc nonlocal (5237.82968s) started
T01 << 1462365113.87485099 libvdwxc nonlocal (5244.53532s) stopped
T01 >> 1462365113.87493110 redistribute (852.59562s) started
T01 << 1462365114.53322005 redistribute (853.25391s) stopped
T01 << 1462365114.53477597 van der Waals (7935.69949s) stopped
T01 << 1462365114.70686793 XC 3D grid (8219.80422s) stopped
T01 >> 1462365114.70691609 Poisson (1640.44571s) started
T01 << 1462365116.47880006 Poisson (1642.21760s) stopped
T01 >> 1462365116.47887897 Hartree integrate/restrict (65.17760s) started
T01 << 1462365116.49778104 Hartree integrate/restrict (65.19650s) stopped
T01 >> 1462365116.49783707 Hartree integrate/restrict (65.19654s) started
T01 << 1462365116.56488299 Hartree integrate/restrict (65.26358s) stopped
T01 >> 1462365116.58177805 Atomic (5036.64850s) started
T01 >> 1462365116.59254599 XC Correction (5026.22276s) started
T01 << 1462365122.96788812 XC Correction (5032.59810s) stopped
T01 << 1462365122.97096491 Atomic (5043.03768s) stopped
T01 >> 1462365122.97112489 Communicate (3952.96557s) started
T01 << 1462365127.84164596 Communicate (3957.83609s) stopped
T01 << 1462365127.84167194 Hamiltonian (18956.44251s) stopped
T01 >> 1462365127.84175897 LCAO eigensolver (6853.97865s) started
T01 >> 1462365127.84177208 Potential matrix (223.59291s) started
T01 << 1462365128.12167501 Potential matrix (223.87281s) stopped
T01 >> 1462365128.12175107 DistributedAtomicCorrection (1145.19165s) started
T01 << 1462365129.54913092 DistributedAtomicCorrection (1146.61903s) stopped
T01 >> 1462365129.54921293 Distribute overlap matrix (1004.08133s) started
T01 >> 1462365129.54923606 blocked summation (952.59253s) started
T01 << 1462365130.62118506 blocked summation (953.66448s) stopped
T01 >> 1462365130.62293911 Scalapack redistribute (50.09364s) started
T01 << 1462365130.68014503 Scalapack redistribute (50.15085s) stopped
T01 << 1462365130.68022799 Distribute overlap matrix (1005.21235s) stopped
T01 >> 1462365130.68081999 Blacs Orbital Layouts (2352.02352s) started
T01 >> 1462365130.68240809 General diagonalize (2304.42493s) started
T01 << 1462365133.36382008 General diagonalize (2307.10635s) stopped
T01 >> 1462365133.36388803 Redistribute coefs (2.63892s) started
T01 << 1462365133.36718202 Redistribute coefs (2.64221s) stopped
T01 >> 1462365133.36722803 Send coefs to domains (43.55483s) started
T01 << 1462365133.41809106 Send coefs to domains (43.60569s) stopped
T01 << 1462365133.41852188 Blacs Orbital Layouts (2354.76122s) stopped
T01 >> 1462365133.41856909 Calculate projections (2128.34820s) started
T01 << 1462365135.90012908 Calculate projections (2130.82976s) stopped
T01 << 1462365135.90039992 LCAO eigensolver (6862.03729s) stopped
T01 >> 1462365135.90113306 Density (1691.60672s) started
T01 >> 1462365135.90114594 Pseudo density (1400.75363s) started
T01 >> 1462365135.90159893 Calculate density matrix (1258.09422s) started
T01 << 1462365137.47908211 Calculate density matrix (1259.67170s) stopped
T01 >> 1462365137.47916198 Construct density (140.61558s) started
T01 << 1462365137.66797090 Construct density (140.80439s) stopped
T01 >> 1462365137.67025590 Symmetrize density (0.03529s) started
T01 << 1462365137.67028904 Symmetrize density (0.03532s) stopped
T01 << 1462365137.67073798 Pseudo density (1402.52322s) stopped
T01 >> 1462365137.67075706 Atomic density matrices (193.08719s) started
T01 << 1462365137.91208696 Atomic density matrices (193.32852s) stopped
T01 >> 1462365137.91212893 Multipole moments (3.18447s) started
T01 << 1462365137.91626906 Multipole moments (3.18861s) stopped
T01 >> 1462365137.91629100 Normalize (0.87255s) started
T01 << 1462365137.91736603 Normalize (0.87363s) stopped
T01 >> 1462365137.91740108 Mix (93.65421s) started
T01 << 1462365138.03849602 Mix (93.77531s) stopped
T01 << 1462365138.03863311 Density (1693.74422s) stopped
T01 >> 1462365138.03876209 Hamiltonian (18956.44253s) started
T01 >> 1462365138.03878307 vbar (11.49574s) started
T01 << 1462365138.05277491 vbar (11.50973s) stopped
T01 >> 1462365138.05283809 XC 3D grid (8219.80426s) started
T01 >> 1462365138.23199010 van der Waals (7935.69954s) started
T01 >> 1462365138.27558994 semilocal (1777.75141s) started
T01 << 1462365140.50684690 semilocal (1779.98266s) stopped
T01 >> 1462365140.53623700 redistribute (853.25397s) started
T01 << 1462365140.92200494 redistribute (853.63974s) stopped
T01 >> 1462365140.92207694 libvdwxc nonlocal (5244.53537s) started
T01 << 1462365147.59881496 libvdwxc nonlocal (5251.21211s) stopped
T01 >> 1462365147.59890103 redistribute (853.63978s) started
T01 << 1462365148.25802398 redistribute (854.29890s) stopped
T01 << 1462365148.25968599 van der Waals (7945.72724s) stopped
T01 << 1462365148.43253994 XC 3D grid (8230.18396s) stopped
T01 >> 1462365148.43260503 Poisson (1642.21766s) started
T01 << 1462365150.20655203 Poisson (1643.99160s) stopped
T01 >> 1462365150.20668006 Hartree integrate/restrict (65.26362s) started
T01 << 1462365150.22561097 Hartree integrate/restrict (65.28255s) stopped
T01 >> 1462365150.22574997 Hartree integrate/restrict (65.28265s) started
T01 << 1462365150.29258394 Hartree integrate/restrict (65.34949s) stopped
T01 >> 1462365150.31023002 Atomic (5043.03770s) started
T01 >> 1462365150.32110310 XC Correction (5032.59813s) started
T01 << 1462365156.74495411 XC Correction (5039.02198s) stopped
T01 << 1462365156.74802995 Atomic (5049.47550s) stopped
T01 >> 1462365156.74818993 Communicate (3957.83611s) started
T01 << 1462365161.39095306 Communicate (3962.47888s) stopped
T01 << 1462365161.39097595 Hamiltonian (18979.79474s) stopped
T01 >> 1462365161.39105201 LCAO eigensolver (6862.03730s) started
T01 >> 1462365161.39106488 Potential matrix (223.87285s) started
T01 << 1462365161.66792393 Potential matrix (224.14971s) stopped
T01 >> 1462365161.66800189 DistributedAtomicCorrection (1146.61907s) started
T01 << 1462365163.11004710 DistributedAtomicCorrection (1148.06111s) stopped
T01 >> 1462365163.11012697 Distribute overlap matrix (1005.21236s) started
T01 >> 1462365163.11014891 blocked summation (953.66452s) started
T01 << 1462365164.18833899 blocked summation (954.74271s) stopped
T01 >> 1462365164.19009209 Scalapack redistribute (50.15089s) started
T01 << 1462365164.24864697 Scalapack redistribute (50.20944s) stopped
T01 << 1462365164.24872589 Distribute overlap matrix (1006.35096s) stopped
T01 >> 1462365164.24932599 Blacs Orbital Layouts (2354.76124s) started
T01 >> 1462365164.25092602 General diagonalize (2307.10639s) started
T01 << 1462365166.94070792 General diagonalize (2309.79617s) stopped
T01 >> 1462365166.94077611 Redistribute coefs (2.64225s) started
T01 << 1462365166.94431210 Redistribute coefs (2.64579s) stopped
T01 >> 1462365166.94435906 Send coefs to domains (43.60574s) started
T01 << 1462365166.99484992 Send coefs to domains (43.65623s) stopped
T01 << 1462365166.99527597 Blacs Orbital Layouts (2357.50719s) stopped
T01 >> 1462365166.99532509 Calculate projections (2130.82981s) started
T01 << 1462365169.47657108 Calculate projections (2133.31106s) stopped
T01 << 1462365169.47685289 LCAO eigensolver (6870.12311s) stopped
T01 >> 1462365169.47758508 Density (1693.74425s) started
T01 >> 1462365169.47759795 Pseudo density (1402.52324s) started
T01 >> 1462365169.47807193 Calculate density matrix (1259.67174s) started
T01 << 1462365171.06215405 Calculate density matrix (1261.25582s) stopped
T01 >> 1462365171.06223989 Construct density (140.80442s) started
T01 << 1462365171.25096989 Construct density (140.99315s) stopped
T01 >> 1462365171.25325608 Symmetrize density (0.03533s) started
T01 << 1462365171.25328803 Symmetrize density (0.03537s) stopped
T01 << 1462365171.25373411 Pseudo density (1404.29937s) stopped
T01 >> 1462365171.25375390 Atomic density matrices (193.32855s) started
T01 << 1462365171.49530506 Atomic density matrices (193.57010s) stopped
T01 >> 1462365171.49534702 Multipole moments (3.18862s) started
T01 << 1462365171.49948406 Multipole moments (3.19276s) stopped
T01 >> 1462365171.49950695 Normalize (0.87366s) started
T01 << 1462365171.50056195 Normalize (0.87471s) stopped
T01 >> 1462365171.50059795 Mix (93.77544s) started
T01 << 1462365171.62218499 Mix (93.89703s) stopped
T01 << 1462365171.62231588 Density (1695.88898s) stopped
T01 >> 1462365171.62244105 Hamiltonian (18979.79475s) started
T01 >> 1462365171.62246203 vbar (11.50976s) started
T01 << 1462365171.63622808 vbar (11.52353s) stopped
T01 >> 1462365171.63629103 XC 3D grid (8230.18401s) started
T01 >> 1462365171.81811500 van der Waals (7945.72734s) started
T01 >> 1462365171.85972309 semilocal (1779.98275s) started
T01 << 1462365174.07557988 semilocal (1782.19860s) stopped
T01 >> 1462365174.10592604 redistribute (854.29900s) started
T01 << 1462365174.50742102 redistribute (854.70049s) stopped
T01 >> 1462365174.50751400 libvdwxc nonlocal (5251.21217s) started
T01 << 1462365181.20230699 libvdwxc nonlocal (5257.90696s) stopped
T01 >> 1462365181.20237708 redistribute (854.70055s) started
T01 << 1462365181.86050391 redistribute (855.35868s) stopped
T01 << 1462365181.86172199 van der Waals (7955.77095s) stopped
T01 << 1462365182.04174304 XC 3D grid (8240.58946s) stopped
T01 >> 1462365182.04178810 Poisson (1643.99171s) started
T01 << 1462365183.80955791 Poisson (1645.75948s) stopped
T01 >> 1462365183.80962896 Hartree integrate/restrict (65.34952s) started
T01 << 1462365183.82845902 Hartree integrate/restrict (65.36835s) stopped
T01 >> 1462365183.82851195 Hartree integrate/restrict (65.36839s) started
T01 << 1462365183.89608502 Hartree integrate/restrict (65.43596s) stopped
T01 >> 1462365183.91312695 Atomic (5049.47552s) started
T01 >> 1462365183.92393899 XC Correction (5039.02200s) started
T01 << 1462365190.28845501 XC Correction (5045.38652s) stopped
T01 << 1462365190.29154706 Atomic (5055.85394s) stopped
T01 >> 1462365190.29171109 Communicate (3962.47889s) started
T01 << 1462365195.02254391 Communicate (3967.20972s) stopped
T01 << 1462365195.02256608 Hamiltonian (19003.19488s) stopped
T01 >> 1462365195.02264094 LCAO eigensolver (6870.12312s) started
T01 >> 1462365195.02265906 Potential matrix (224.14976s) started
T01 << 1462365195.30042005 Potential matrix (224.42752s) stopped
T01 >> 1462365195.30049801 DistributedAtomicCorrection (1148.06115s) started
T01 << 1462365196.72500992 DistributedAtomicCorrection (1149.48566s) stopped
T01 >> 1462365196.72509289 Distribute overlap matrix (1006.35097s) started
T01 >> 1462365196.72511601 blocked summation (954.74275s) started
T01 << 1462365197.83553791 blocked summation (955.85317s) stopped
T01 >> 1462365197.83721399 Scalapack redistribute (50.20948s) started
T01 << 1462365197.89637589 Scalapack redistribute (50.26864s) stopped
T01 << 1462365197.89645410 Distribute overlap matrix (1007.52233s) stopped
T01 >> 1462365197.89705205 Blacs Orbital Layouts (2357.50721s) started
T01 >> 1462365197.89832306 General diagonalize (2309.79621s) started
T01 << 1462365200.58210397 General diagonalize (2312.47999s) stopped
T01 >> 1462365200.58217001 Redistribute coefs (2.64582s) started
T01 << 1462365200.58625007 Redistribute coefs (2.64990s) stopped
T01 >> 1462365200.58629799 Send coefs to domains (43.65627s) started
T01 << 1462365200.63675094 Send coefs to domains (43.70672s) stopped
T01 << 1462365200.63705206 Blacs Orbital Layouts (2360.24721s) stopped
T01 >> 1462365200.63710308 Calculate projections (2133.31111s) started
T01 << 1462365203.11890197 Calculate projections (2135.79291s) stopped
T01 << 1462365203.11917591 LCAO eigensolver (6878.21966s) stopped
T01 >> 1462365203.11991405 Density (1695.88900s) started
T01 >> 1462365203.11992693 Pseudo density (1404.29939s) started
T01 >> 1462365203.12037492 Calculate density matrix (1261.25586s) started
T01 << 1462365204.70173597 Calculate density matrix (1262.83723s) stopped
T01 >> 1462365204.70181704 Construct density (140.99319s) started
T01 << 1462365204.88998699 Construct density (141.18136s) stopped
T01 >> 1462365204.89229107 Symmetrize density (0.03538s) started
T01 << 1462365204.89232397 Symmetrize density (0.03541s) stopped
T01 << 1462365204.89277411 Pseudo density (1406.07224s) stopped
T01 >> 1462365204.89279294 Atomic density matrices (193.57013s) started
T01 << 1462365205.13535690 Atomic density matrices (193.81269s) stopped
T01 >> 1462365205.13539791 Multipole moments (3.19278s) started
T01 << 1462365205.13953304 Multipole moments (3.19691s) stopped
T01 >> 1462365205.13955593 Normalize (0.87474s) started
T01 << 1462365205.14061809 Normalize (0.87580s) stopped
T01 >> 1462365205.14065790 Mix (93.89715s) started
T01 << 1462365205.26145601 Mix (94.01795s) stopped
T01 << 1462365205.26158500 Density (1698.03067s) stopped
T01 >> 1462365205.26170111 Hamiltonian (19003.19489s) started
T01 >> 1462365205.26172209 vbar (11.52356s) started
T01 << 1462365205.27567101 vbar (11.53751s) stopped
T01 >> 1462365205.27573991 XC 3D grid (8240.58950s) started
T01 >> 1462365205.45830297 van der Waals (7955.77103s) started
T01 >> 1462365205.50001907 semilocal (1782.19869s) started
T01 << 1462365207.72256589 semilocal (1784.42124s) stopped
T01 >> 1462365207.75284290 redistribute (855.35872s) started
T01 << 1462365208.12997103 redistribute (855.73585s) stopped
T01 >> 1462365208.13004398 libvdwxc nonlocal (5257.90701s) started
T01 << 1462365214.83721590 libvdwxc nonlocal (5264.61418s) stopped
T01 >> 1462365214.83729196 redistribute (855.73589s) started
T01 << 1462365215.49687696 redistribute (856.39547s) stopped
T01 << 1462365215.49833798 van der Waals (7965.81107s) stopped
T01 << 1462365215.67107701 XC 3D grid (8250.98483s) stopped
T01 >> 1462365215.67112303 Poisson (1645.75953s) started
T01 << 1462365217.44799995 Poisson (1647.53640s) stopped
T01 >> 1462365217.44807506 Hartree integrate/restrict (65.43600s) started
T01 << 1462365217.46691799 Hartree integrate/restrict (65.45484s) stopped
T01 >> 1462365217.46696806 Hartree integrate/restrict (65.45488s) started
T01 << 1462365217.53449702 Hartree integrate/restrict (65.52240s) stopped
T01 >> 1462365217.55103302 Atomic (5055.85395s) started
T01 >> 1462365217.56188202 XC Correction (5045.38654s) started
T01 << 1462365223.94615793 XC Correction (5051.77082s) stopped
T01 << 1462365223.94925904 Atomic (5062.25218s) stopped
T01 >> 1462365223.94941998 Communicate (3967.20974s) started
T01 << 1462365228.63153291 Communicate (3971.89185s) stopped
T01 << 1462365228.63155603 Hamiltonian (19026.56475s) stopped
T01 >> 1462365228.63163304 LCAO eigensolver (6878.21968s) started
T01 >> 1462365228.63164997 Potential matrix (224.42756s) started
T01 << 1462365228.91222906 Potential matrix (224.70814s) stopped
T01 >> 1462365228.91230512 DistributedAtomicCorrection (1149.48570s) started
T01 << 1462365230.35288501 DistributedAtomicCorrection (1150.92628s) stopped
T01 >> 1462365230.35296893 Distribute overlap matrix (1007.52235s) started
T01 >> 1462365230.35299206 blocked summation (955.85321s) started
T01 << 1462365231.43474603 blocked summation (956.93496s) stopped
T01 >> 1462365231.43649292 Scalapack redistribute (50.26867s) started
T01 << 1462365231.50619602 Scalapack redistribute (50.33838s) stopped
T01 << 1462365231.50627589 Distribute overlap matrix (1008.67565s) stopped
T01 >> 1462365231.50687504 Blacs Orbital Layouts (2360.24723s) started
T01 >> 1462365231.50846410 General diagonalize (2312.48003s) started
T01 << 1462365234.18913198 General diagonalize (2315.16069s) stopped
T01 >> 1462365234.18919897 Redistribute coefs (2.64994s) started
T01 << 1462365234.19268799 Redistribute coefs (2.65343s) stopped
T01 >> 1462365234.19273496 Send coefs to domains (43.70677s) started
T01 << 1462365234.24372697 Send coefs to domains (43.75776s) stopped
T01 << 1462365234.24414301 Blacs Orbital Layouts (2362.98449s) stopped
T01 >> 1462365234.24418998 Calculate projections (2135.79297s) started
T01 << 1462365236.72585106 Calculate projections (2138.27463s) stopped
T01 << 1462365236.72612691 LCAO eigensolver (6886.31417s) stopped
T01 << 1462365236.72685599 SCF-cycle (27611.62979s) stopped
T01 >> 1462365237.61043501 Force calculation (1696.27318s) started
T01 >> 1462365237.61049700 LCAO forces (1045.32163s) started
T01 >> 1462365237.61085391 Initial (0.00123s) started
T01 << 1462365237.61086607 Initial (0.00124s) stopped
T01 >> 1462365237.61522388 Get density matrix (204.38392s) started
T01 << 1462365238.21872211 Get density matrix (204.98742s) stopped
T01 >> 1462365238.21878791 Potential (75.45505s) started
T01 << 1462365239.68281007 Potential (76.91907s) stopped
T01 >> 1462365239.68287492 Get density matrix (204.98745s) started
T01 << 1462365242.92619491 Get density matrix (208.23077s) stopped
T01 >> 1462365242.92632389 Prepare TCI loop (101.48094s) started
T01 >> 1462365242.92682195 Get neighbors (96.26811s) started
T01 << 1462365244.78785205 Get neighbors (98.12914s) stopped
T01 >> 1462365244.78805900 broadcast dH (5.17475s) started
T01 << 1462365244.79843593 broadcast dH (5.18513s) stopped
T01 << 1462365244.79848289 Prepare TCI loop (103.35310s) stopped
T01 >> 1462365244.79850101 Not so complicated loop (146.34803s) started
T01 << 1462365247.54991293 Not so complicated loop (149.09944s) stopped
T01 >> 1462365247.68326592 Complicated loop (510.08632s) started
T01 << 1462365257.46466398 Complicated loop (519.86772s) stopped
T01 >> 1462365257.47912788 Wait for sum (0.00308s) started
T01 << 1462365257.47917295 Wait for sum (0.00312s) stopped
T01 << 1462365257.47918606 LCAO forces (1065.19032s) stopped
T01 << 1462365271.74613905 Force calculation (1730.40888s) stopped
T01 >> 1462365271.76462603 Initialization (2762.23696s) started
T01 << 1462365271.76484489 Initialization (2762.23718s) stopped
T01 >> 1462365271.76512909 Initialization (2762.23720s) started
T01 << 1462365271.76527309 Initialization (2762.23734s) stopped
T01 >> 1462365271.76541901 Initialization (2762.23736s) started
T01 << 1462365271.76555800 Initialization (2762.23750s) stopped
T01 >> 1462365292.10495090 Initialization (2762.23752s) started
T01 >> 1462365292.13780594 Basic WFS set positions (5.37558s) started
T01 >> 1462365292.13783407 Redistribute (0.11216s) started
T01 << 1462365292.14314508 Redistribute (0.11747s) stopped
T01 << 1462365292.24279094 Basic WFS set positions (5.48056s) stopped
T01 >> 1462365292.24282908 Basis functions set positions (22.74783s) started
T01 << 1462365292.64668894 Basis functions set positions (23.15169s) stopped
T01 >> 1462365292.64765501 TCI: Calculate S, T, P (829.62749s) started
T01 << 1462365308.11880493 TCI: Calculate S, T, P (845.09864s) stopped
T01 >> 1462365308.11890006 blocked summation (222.87962s) started
T01 << 1462365312.06909895 blocked summation (226.82982s) stopped
T01 >> 1462365312.07115293 Scalapack redistribute (13.44980s) started
T01 << 1462365312.12961507 Scalapack redistribute (13.50826s) stopped
T01 >> 1462365312.12995410 blocked summation (226.82987s) started
T01 << 1462365312.30042505 blocked summation (227.00034s) stopped
T01 >> 1462365312.30204606 Scalapack redistribute (13.50832s) started
T01 << 1462365312.50343490 Scalapack redistribute (13.70971s) stopped
T01 >> 1462365312.50487208 Redistribute (0.11111s) started
T01 << 1462365312.50590992 Redistribute (0.11215s) stopped
T01 >> 1462365313.43400311 Redistribute (0.11217s) started
T01 << 1462365313.43507409 Redistribute (0.11324s) stopped
T01 >> 1462365313.44518495 LCAO WFS Initialize (1610.91620s) started
T01 >> 1462365313.44521308 Density initialize from wavefunctions (66.07374s) started
T01 >> 1462365313.44566107 Calculate density matrix (38.10786s) started
T01 << 1462365314.14519691 Calculate density matrix (38.80740s) stopped
T01 >> 1462365314.14526391 Construct density (9.57878s) started
T01 << 1462365314.33462095 Construct density (9.76814s) stopped
T01 >> 1462365314.33620691 Symmetrize density (0.00238s) started
T01 << 1462365314.33624005 Symmetrize density (0.00241s) stopped
T01 << 1462365314.67328906 Density initialize from wavefunctions (67.30182s) stopped
T01 >> 1462365314.67396092 Hamiltonian (1544.61536s) started
T01 >> 1462365314.67400599 vbar (0.80986s) started
T01 << 1462365314.68873906 vbar (0.82459s) stopped
T01 >> 1462365314.68881202 XC 3D grid (566.98365s) started
T01 >> 1462365314.86794996 van der Waals (547.32847s) started
T01 >> 1462365314.91190290 semilocal (121.97238s) started
T01 << 1462365317.14271998 semilocal (124.20320s) stopped
T01 >> 1462365317.17437100 redistribute (58.09365s) started
T01 << 1462365317.55396104 redistribute (58.47324s) stopped
T01 >> 1462365317.55401111 libvdwxc nonlocal (363.11582s) started
T01 << 1462365324.25871491 libvdwxc nonlocal (369.82053s) stopped
T01 >> 1462365324.25878906 redistribute (58.47328s) started
T01 << 1462365324.89832711 redistribute (59.11282s) stopped
T01 << 1462365324.89957404 van der Waals (557.36010s) stopped
T01 << 1462365325.08170795 XC 3D grid (577.37655s) stopped
T01 >> 1462365325.08175302 Poisson (257.74500s) started
T01 << 1462365329.76267910 Poisson (262.42593s) stopped
T01 >> 1462365329.76275611 Hartree integrate/restrict (4.46854s) started
T01 << 1462365329.78179097 Hartree integrate/restrict (4.48757s) stopped
T01 >> 1462365329.78192592 Hartree integrate/restrict (4.48767s) started
T01 << 1462365329.84753609 Hartree integrate/restrict (4.55328s) stopped
T01 >> 1462365329.86461806 Atomic (363.46704s) started
T01 >> 1462365329.87521291 XC Correction (362.73101s) started
T01 << 1462365336.31096911 XC Correction (369.16677s) stopped
T01 << 1462365336.31403399 Atomic (369.91645s) stopped
T01 >> 1462365336.31424809 Communicate (349.96568s) started
T01 << 1462365342.95078397 Communicate (356.60221s) stopped
T01 << 1462365342.95080805 Hamiltonian (1572.89220s) stopped
T01 << 1462365342.95086002 LCAO WFS Initialize (1640.42188s) stopped
T01 << 1462365342.96294904 Initialization (2813.09551s) stopped
T01 >> 1462365342.98781705 SCF-cycle (27611.62981s) started
T01 >> 1462365342.98785496 LCAO eigensolver (6886.31419s) started
T01 >> 1462365342.98786807 Potential matrix (224.70818s) started
T01 << 1462365343.26391006 Potential matrix (224.98422s) stopped
T01 >> 1462365343.26398802 DistributedAtomicCorrection (1150.92632s) started
T01 << 1462365344.67471409 DistributedAtomicCorrection (1152.33705s) stopped
T01 >> 1462365344.67479396 Distribute overlap matrix (1008.67567s) started
T01 >> 1462365344.67481589 blocked summation (956.93500s) started
T01 << 1462365345.79567695 blocked summation (958.05586s) stopped
T01 >> 1462365345.79709291 Scalapack redistribute (50.33841s) started
T01 << 1462365345.85797000 Scalapack redistribute (50.39929s) stopped
T01 << 1462365345.85806489 Distribute overlap matrix (1009.85894s) stopped
T01 >> 1462365345.85864592 Blacs Orbital Layouts (2362.98451s) started
T01 >> 1462365345.85954094 General diagonalize (2315.16073s) started
T01 << 1462365348.55409193 General diagonalize (2317.85528s) stopped
T01 >> 1462365348.55414295 Redistribute coefs (2.65346s) started
T01 << 1462365348.55673003 Redistribute coefs (2.65605s) stopped
T01 >> 1462365348.55677700 Send coefs to domains (43.75780s) started
T01 << 1462365348.60776305 Send coefs to domains (43.80879s) stopped
T01 << 1462365348.60781908 Blacs Orbital Layouts (2365.73369s) stopped
T01 >> 1462365348.60785103 Calculate projections (2138.27468s) started
T01 << 1462365351.06740403 Calculate projections (2140.73424s) stopped
T01 << 1462365351.06748295 LCAO eigensolver (6894.39382s) stopped
T01 >> 1462365351.06814289 Density (1698.03069s) started
T01 >> 1462365351.06815600 Pseudo density (1406.07225s) started
T01 >> 1462365351.06860495 Calculate density matrix (1262.83727s) started
T01 << 1462365352.66088796 Calculate density matrix (1264.42955s) stopped
T01 >> 1462365352.66100097 Construct density (141.18139s) started
T01 << 1462365352.84996390 Construct density (141.37036s) stopped
T01 >> 1462365352.85137105 Symmetrize density (0.03542s) started
T01 << 1462365352.85140491 Symmetrize density (0.03546s) stopped
T01 << 1462365352.85185695 Pseudo density (1407.85595s) stopped
T01 >> 1462365352.85187697 Atomic density matrices (193.81272s) started
T01 << 1462365353.09045005 Atomic density matrices (194.05129s) stopped
T01 >> 1462365353.09048891 Multipole moments (3.19693s) started
T01 << 1462365353.09480596 Multipole moments (3.20124s) stopped
T01 >> 1462365353.09482908 Normalize (0.87583s) started
T01 << 1462365353.09591603 Normalize (0.87691s) stopped
T01 >> 1462365353.09594989 Mix (94.01807s) started
T01 << 1462365353.20217299 Mix (94.12430s) stopped
T01 << 1462365353.20227194 Density (1700.16482s) stopped
T01 >> 1462365353.20239902 Hamiltonian (19026.56476s) started
T01 >> 1462365353.20242095 vbar (11.53755s) started
T01 << 1462365353.21648312 vbar (11.55161s) stopped
T01 >> 1462365353.21656895 XC 3D grid (8250.98487s) started
T01 >> 1462365353.39489508 van der Waals (7965.81117s) started
T01 >> 1462365353.43846107 semilocal (1784.42130s) started
T01 << 1462365355.65197206 semilocal (1786.63481s) stopped
T01 >> 1462365355.68323493 redistribute (856.39556s) started
T01 << 1462365356.09250808 redistribute (856.80484s) stopped
T01 >> 1462365356.09257793 libvdwxc nonlocal (5264.61423s) started
T01 << 1462365362.79801011 libvdwxc nonlocal (5271.31966s) stopped
T01 >> 1462365362.79809809 redistribute (856.80488s) started
T01 << 1462365363.44341612 redistribute (857.45019s) stopped
T01 << 1462365363.44458508 van der Waals (7975.86086s) stopped
T01 << 1462365363.62683105 XC 3D grid (8261.39513s) stopped
T01 >> 1462365363.62688303 Poisson (1647.53646s) started
T01 << 1462365365.98260593 Poisson (1649.89218s) stopped
T01 >> 1462365365.98270106 Hartree integrate/restrict (65.52245s) started
T01 << 1462365366.00150895 Hartree integrate/restrict (65.54126s) stopped
T01 >> 1462365366.00165892 Hartree integrate/restrict (65.54135s) started
T01 << 1462365366.06876493 Hartree integrate/restrict (65.60846s) stopped
T01 >> 1462365366.08144903 Atomic (5062.25220s) started
T01 >> 1462365366.09156895 XC Correction (5051.77084s) started
T01 << 1462365372.53585410 XC Correction (5058.21513s) stopped
T01 << 1462365372.53883410 Atomic (5068.70958s) stopped
T01 >> 1462365372.53893304 Communicate (3971.89187s) started
T01 << 1462365378.56026506 Communicate (3977.91320s) stopped
T01 << 1462365378.56028795 Hamiltonian (19051.92265s) stopped
T01 >> 1462365378.56035590 LCAO eigensolver (6894.39383s) started
T01 >> 1462365378.56036901 Potential matrix (224.98427s) started
T01 << 1462365378.83742690 Potential matrix (225.26132s) stopped
T01 >> 1462365378.83750296 DistributedAtomicCorrection (1152.33709s) started
T01 << 1462365380.24116302 DistributedAtomicCorrection (1153.74075s) stopped
T01 >> 1462365380.24124193 Distribute overlap matrix (1009.85895s) started
T01 >> 1462365380.24126410 blocked summation (958.05590s) started
T01 << 1462365381.36612391 blocked summation (959.18076s) stopped
T01 >> 1462365381.36754608 Scalapack redistribute (50.39933s) started
T01 << 1462365381.42650390 Scalapack redistribute (50.45828s) stopped
T01 << 1462365381.42658496 Distribute overlap matrix (1011.04429s) stopped
T01 >> 1462365381.42715597 Blacs Orbital Layouts (2365.73370s) started
T01 >> 1462365381.42819500 General diagonalize (2317.85532s) started
T01 << 1462365384.11229396 General diagonalize (2320.53942s) stopped
T01 >> 1462365384.11236405 Redistribute coefs (2.65609s) started
T01 << 1462365384.11493993 Redistribute coefs (2.65866s) stopped
T01 >> 1462365384.11502790 Send coefs to domains (43.80883s) started
T01 << 1462365384.16604590 Send coefs to domains (43.85985s) stopped
T01 << 1462365384.16610408 Blacs Orbital Layouts (2368.47265s) stopped
T01 >> 1462365384.16615796 Calculate projections (2140.73429s) started
T01 << 1462365386.62523293 Calculate projections (2143.19337s) stopped
T01 << 1462365386.62531590 LCAO eigensolver (6902.45879s) stopped
T01 >> 1462365386.62598395 Density (1700.16484s) started
T01 >> 1462365386.62599707 Pseudo density (1407.85596s) started
T01 >> 1462365386.62644410 Calculate density matrix (1264.42964s) started
T01 << 1462365388.21294188 Calculate density matrix (1266.01614s) stopped
T01 >> 1462365388.21301007 Construct density (141.37039s) started
T01 << 1462365388.40334702 Construct density (141.56073s) stopped
T01 >> 1462365388.40480304 Symmetrize density (0.03547s) started
T01 << 1462365388.40483689 Symmetrize density (0.03550s) stopped
T01 << 1462365388.40527701 Pseudo density (1409.63524s) stopped
T01 >> 1462365388.40529704 Atomic density matrices (194.05132s) started
T01 << 1462365388.64324594 Atomic density matrices (194.28927s) stopped
T01 >> 1462365388.64328694 Multipole moments (3.20126s) started
T01 << 1462365388.64756298 Multipole moments (3.20553s) stopped
T01 >> 1462365388.64758611 Normalize (0.87694s) started
T01 << 1462365388.64866209 Normalize (0.87801s) stopped
T01 >> 1462365388.64869809 Mix (94.12439s) started
T01 << 1462365388.75859094 Mix (94.23429s) stopped
T01 << 1462365388.75870395 Density (1702.29756s) stopped
T01 >> 1462365388.75883603 Hamiltonian (19051.92267s) started
T01 >> 1462365388.75885701 vbar (11.55166s) started
T01 << 1462365388.77346897 vbar (11.56627s) stopped
T01 >> 1462365388.77353501 XC 3D grid (8261.39517s) started
T01 >> 1462365388.95183301 van der Waals (7975.86090s) started
T01 >> 1462365388.99454188 semilocal (1786.63492s) started
T01 << 1462365391.20034599 semilocal (1788.84072s) stopped
T01 >> 1462365391.23156905 redistribute (857.45024s) started
T01 << 1462365391.63207006 redistribute (857.85074s) stopped
T01 >> 1462365391.63213897 libvdwxc nonlocal (5271.31972s) started
T01 << 1462365398.33846498 libvdwxc nonlocal (5278.02605s) stopped
T01 >> 1462365398.33855391 redistribute (857.85078s) started
T01 << 1462365398.98388600 redistribute (858.49611s) stopped
T01 << 1462365398.98510909 van der Waals (7985.89417s) stopped
T01 << 1462365399.16958904 XC 3D grid (8271.79122s) stopped
T01 >> 1462365399.16963792 Poisson (1649.89225s) started
T01 << 1462365401.52402210 Poisson (1652.24664s) stopped
T01 >> 1462365401.52411795 Hartree integrate/restrict (65.60849s) started
T01 << 1462365401.54332089 Hartree integrate/restrict (65.62769s) stopped
T01 >> 1462365401.54338098 Hartree integrate/restrict (65.62773s) started
T01 << 1462365401.60541010 Hartree integrate/restrict (65.68976s) stopped
T01 >> 1462365401.62723494 Atomic (5068.70960s) started
T01 >> 1462365401.63731694 XC Correction (5058.21515s) started
T01 << 1462365407.87245607 XC Correction (5064.45029s) stopped
T01 << 1462365407.87547803 Atomic (5074.95784s) stopped
T01 >> 1462365407.87558007 Communicate (3977.91321s) started
T01 << 1462365413.49995804 Communicate (3983.53759s) stopped
T01 << 1462365413.49998093 Hamiltonian (19076.66381s) stopped
T01 >> 1462365413.50004601 LCAO eigensolver (6902.45880s) started
T01 >> 1462365413.50005889 Potential matrix (225.26136s) started
T01 << 1462365413.77709389 Potential matrix (225.53840s) stopped
T01 >> 1462365413.77716899 DistributedAtomicCorrection (1153.74079s) started
T01 << 1462365415.17996597 DistributedAtomicCorrection (1155.14358s) stopped
T01 >> 1462365415.18004489 Distribute overlap matrix (1011.04431s) started
T01 >> 1462365415.18006802 blocked summation (959.18080s) started
T01 << 1462365416.30024004 blocked summation (960.30097s) stopped
T01 >> 1462365416.30167508 Scalapack redistribute (50.45832s) started
T01 << 1462365416.35397911 Scalapack redistribute (50.51062s) stopped
T01 << 1462365416.35408401 Distribute overlap matrix (1012.21834s) stopped
T01 >> 1462365416.35470605 Blacs Orbital Layouts (2368.47266s) started
T01 >> 1462365416.35599804 General diagonalize (2320.53946s) started
T01 << 1462365419.03678203 General diagonalize (2323.22024s) stopped
T01 >> 1462365419.03685093 Redistribute coefs (2.65870s) started
T01 << 1462365419.03938699 Redistribute coefs (2.66123s) stopped
T01 >> 1462365419.03947496 Send coefs to domains (43.85990s) started
T01 << 1462365419.09017205 Send coefs to domains (43.91059s) stopped
T01 << 1462365419.09023094 Blacs Orbital Layouts (2371.20819s) stopped
T01 >> 1462365419.09028101 Calculate projections (2143.19342s) started
T01 << 1462365421.54959297 Calculate projections (2145.65273s) stopped
T01 << 1462365421.54967690 LCAO eigensolver (6910.50844s) stopped
T01 >> 1462365421.55039811 Density (1702.29758s) started
T01 >> 1462365421.55041099 Pseudo density (1409.63526s) started
T01 >> 1462365421.55086708 Calculate density matrix (1266.01618s) started
T01 << 1462365423.14372492 Calculate density matrix (1267.60904s) stopped
T01 >> 1462365423.14381099 Construct density (141.56076s) started
T01 << 1462365423.33259296 Construct density (141.74955s) stopped
T01 >> 1462365423.33399391 Symmetrize density (0.03551s) started
T01 << 1462365423.33402705 Symmetrize density (0.03555s) stopped
T01 << 1462365423.33446407 Pseudo density (1411.41931s) stopped
T01 >> 1462365423.33448291 Atomic density matrices (194.28929s) started
T01 << 1462365423.57533193 Atomic density matrices (194.53014s) stopped
T01 >> 1462365423.57537389 Multipole moments (3.20555s) started
T01 << 1462365423.57961798 Multipole moments (3.20979s) stopped
T01 >> 1462365423.57963991 Normalize (0.87804s) started
T01 << 1462365423.58071995 Normalize (0.87912s) stopped
T01 >> 1462365423.58075500 Mix (94.23439s) started
T01 << 1462365423.69283891 Mix (94.34648s) stopped
T01 << 1462365423.69293499 Density (1704.44012s) stopped
T01 >> 1462365423.69306803 Hamiltonian (19076.66382s) started
T01 >> 1462365423.69308996 vbar (11.56631s) started
T01 << 1462365423.70725298 vbar (11.58047s) stopped
T01 >> 1462365423.70733690 XC 3D grid (8271.79126s) started
T01 >> 1462365423.88348103 van der Waals (7985.89422s) started
T01 >> 1462365423.92710304 semilocal (1788.84081s) started
T01 << 1462365426.14019203 semilocal (1791.05390s) stopped
T01 >> 1462365426.17116809 redistribute (858.49616s) started
T01 << 1462365426.55873799 redistribute (858.88373s) stopped
T01 >> 1462365426.55880594 libvdwxc nonlocal (5278.02611s) started
T01 << 1462365433.26556802 libvdwxc nonlocal (5284.73288s) stopped
T01 >> 1462365433.26568198 redistribute (858.88377s) started
T01 << 1462365433.91170597 redistribute (859.52979s) stopped
T01 << 1462365433.91275692 van der Waals (7995.92350s) stopped
T01 << 1462365434.09514809 XC 3D grid (8282.17907s) stopped
T01 >> 1462365434.09519911 Poisson (1652.24671s) started
T01 << 1462365436.44749403 Poisson (1654.59901s) stopped
T01 >> 1462365436.44756508 Hartree integrate/restrict (65.68981s) started
T01 << 1462365436.46655107 Hartree integrate/restrict (65.70879s) stopped
T01 >> 1462365436.46659803 Hartree integrate/restrict (65.70882s) started
T01 << 1462365436.52801490 Hartree integrate/restrict (65.77024s) stopped
T01 >> 1462365436.55100012 Atomic (5074.95786s) started
T01 >> 1462365436.56106710 XC Correction (5064.45032s) started
T01 << 1462365442.83205891 XC Correction (5070.72131s) stopped
T01 << 1462365442.83503199 Atomic (5081.24189s) stopped
T01 >> 1462365442.83513498 Communicate (3983.53761s) started
T01 << 1462365447.82050800 Communicate (3988.52298s) stopped
T01 << 1462365447.82053089 Hamiltonian (19100.79129s) stopped
T01 >> 1462365447.82059693 LCAO eigensolver (6910.50845s) started
T01 >> 1462365447.82061005 Potential matrix (225.53844s) started
T01 << 1462365448.09647799 Potential matrix (225.81431s) stopped
T01 >> 1462365448.09655309 DistributedAtomicCorrection (1155.14362s) started
T01 << 1462365449.49690795 DistributedAtomicCorrection (1156.54398s) stopped
T01 >> 1462365449.49698710 Distribute overlap matrix (1012.21836s) started
T01 >> 1462365449.49700904 blocked summation (960.30101s) started
T01 << 1462365450.62451291 blocked summation (961.42851s) stopped
T01 >> 1462365450.62594700 Scalapack redistribute (50.51067s) started
T01 << 1462365450.68489289 Scalapack redistribute (50.56962s) stopped
T01 << 1462365450.68497300 Distribute overlap matrix (1013.40634s) stopped
T01 >> 1462365450.68553805 Blacs Orbital Layouts (2371.20820s) started
T01 >> 1462365450.68672395 General diagonalize (2323.22028s) started
T01 << 1462365453.38515592 General diagonalize (2325.91871s) stopped
T01 >> 1462365453.38522410 Redistribute coefs (2.66127s) started
T01 << 1462365453.38892007 Redistribute coefs (2.66496s) stopped
T01 >> 1462365453.38896704 Send coefs to domains (43.91064s) started
T01 << 1462365453.43966889 Send coefs to domains (43.96134s) stopped
T01 << 1462365453.43972397 Blacs Orbital Layouts (2373.96239s) stopped
T01 >> 1462365453.43977594 Calculate projections (2145.65279s) started
T01 << 1462365455.89937592 Calculate projections (2148.11239s) stopped
T01 << 1462365455.89945793 LCAO eigensolver (6918.58731s) stopped
T01 >> 1462365455.90020204 Density (1704.44014s) started
T01 >> 1462365455.90021491 Pseudo density (1411.41932s) started
T01 >> 1462365455.90067196 Calculate density matrix (1267.60908s) started
T01 << 1462365457.49954200 Calculate density matrix (1269.20795s) stopped
T01 >> 1462365457.49963093 Construct density (141.74958s) started
T01 << 1462365457.68829703 Construct density (141.93825s) stopped
T01 >> 1462365457.68969393 Symmetrize density (0.03556s) started
T01 << 1462365457.68972611 Symmetrize density (0.03559s) stopped
T01 << 1462365457.69016409 Pseudo density (1413.20927s) stopped
T01 >> 1462365457.69018292 Atomic density matrices (194.53017s) started
T01 << 1462365457.92971706 Atomic density matrices (194.76971s) stopped
T01 >> 1462365457.92975807 Multipole moments (3.20981s) started
T01 << 1462365457.93403792 Multipole moments (3.21409s) stopped
T01 >> 1462365457.93406105 Normalize (0.87915s) started
T01 << 1462365457.93513393 Normalize (0.88022s) stopped
T01 >> 1462365457.93516898 Mix (94.34657s) started
T01 << 1462365458.05033302 Mix (94.46173s) stopped
T01 << 1462365458.05038810 Density (1706.59032s) stopped
T01 >> 1462365458.05049801 Hamiltonian (19100.79130s) started
T01 >> 1462365458.05052090 vbar (11.58052s) started
T01 << 1462365458.06556892 vbar (11.59557s) stopped
T01 >> 1462365458.06563807 XC 3D grid (8282.17911s) started
T01 >> 1462365458.24382591 van der Waals (7995.92352s) started
T01 >> 1462365458.28766489 semilocal (1791.05402s) started
T01 << 1462365460.50038195 semilocal (1793.26674s) stopped
T01 >> 1462365460.53174710 redistribute (859.52983s) started
T01 << 1462365460.92644501 redistribute (859.92453s) stopped
T01 >> 1462365460.92651200 libvdwxc nonlocal (5284.73294s) started
T01 << 1462365467.62192202 libvdwxc nonlocal (5291.42835s) stopped
T01 >> 1462365467.62200403 redistribute (859.92457s) started
T01 << 1462365468.27152205 redistribute (860.57409s) stopped
T01 << 1462365468.27250099 van der Waals (8005.95220s) stopped
T01 << 1462365468.45336699 XC 3D grid (8292.56684s) stopped
T01 >> 1462365468.45343804 Poisson (1654.59906s) started
T01 << 1462365470.80800104 Poisson (1656.95362s) stopped
T01 >> 1462365470.80807996 Hartree integrate/restrict (65.77028s) started
T01 << 1462365470.82711005 Hartree integrate/restrict (65.78931s) stopped
T01 >> 1462365470.82723188 Hartree integrate/restrict (65.78940s) started
T01 << 1462365470.89407110 Hartree integrate/restrict (65.85624s) stopped
T01 >> 1462365470.91124892 Atomic (5081.24191s) started
T01 >> 1462365470.92134500 XC Correction (5070.72133s) started
T01 << 1462365477.21701288 XC Correction (5077.01700s) stopped
T01 << 1462365477.21998906 Atomic (5087.55065s) stopped
T01 >> 1462365477.22009206 Communicate (3988.52300s) started
T01 << 1462365482.10535502 Communicate (3993.40826s) stopped
T01 << 1462365482.10537910 Hamiltonian (19124.84618s) stopped
T01 >> 1462365482.10544395 LCAO eigensolver (6918.58732s) started
T01 >> 1462365482.10545707 Potential matrix (225.81435s) started
T01 << 1462365482.38207102 Potential matrix (226.09096s) stopped
T01 >> 1462365482.38214493 DistributedAtomicCorrection (1156.54402s) started
T01 << 1462365483.80551505 DistributedAtomicCorrection (1157.96739s) stopped
T01 >> 1462365483.80559492 Distribute overlap matrix (1013.40636s) started
T01 >> 1462365483.80561709 blocked summation (961.42856s) started
T01 << 1462365484.91848111 blocked summation (962.54142s) stopped
T01 >> 1462365484.92012191 Scalapack redistribute (50.56965s) started
T01 << 1462365484.97907305 Scalapack redistribute (50.62860s) stopped
T01 << 1462365484.97915912 Distribute overlap matrix (1014.57992s) stopped
T01 >> 1462365484.97976899 Blacs Orbital Layouts (2373.96240s) started
T01 >> 1462365484.98112512 General diagonalize (2325.91875s) started
T01 << 1462365487.65005207 General diagonalize (2328.58768s) stopped
T01 >> 1462365487.65012097 Redistribute coefs (2.66500s) started
T01 << 1462365487.65394092 Redistribute coefs (2.66882s) stopped
T01 >> 1462365487.65399003 Send coefs to domains (43.96138s) started
T01 << 1462365487.70372605 Send coefs to domains (44.01112s) stopped
T01 << 1462365487.70401192 Blacs Orbital Layouts (2376.68664s) stopped
T01 >> 1462365487.70406699 Calculate projections (2148.11245s) started
T01 << 1462365490.16380310 Calculate projections (2150.57218s) stopped
T01 << 1462365490.16407609 LCAO eigensolver (6926.64596s) stopped
T01 >> 1462365490.16480398 Density (1706.59034s) started
T01 >> 1462365490.16481805 Pseudo density (1413.20929s) started
T01 >> 1462365490.16527009 Calculate density matrix (1269.20800s) started
T01 << 1462365491.76653194 Calculate density matrix (1270.80926s) stopped
T01 >> 1462365491.76661897 Construct density (141.93828s) started
T01 << 1462365491.95699501 Construct density (142.12866s) stopped
T01 >> 1462365491.95839810 Symmetrize density (0.03560s) started
T01 << 1462365491.95843196 Symmetrize density (0.03564s) stopped
T01 << 1462365491.95887995 Pseudo density (1415.00335s) stopped
T01 >> 1462365491.95889902 Atomic density matrices (194.76973s) started
T01 << 1462365492.19646811 Atomic density matrices (195.00730s) stopped
T01 >> 1462365492.19650888 Multipole moments (3.21410s) started
T01 << 1462365492.20078802 Multipole moments (3.21838s) stopped
T01 >> 1462365492.20081091 Normalize (0.88024s) started
T01 << 1462365492.20189595 Normalize (0.88133s) stopped
T01 >> 1462365492.20193100 Mix (94.46179s) started
T01 << 1462365492.32091403 Mix (94.58077s) stopped
T01 << 1462365492.32098198 Density (1708.74652s) stopped
T01 >> 1462365492.32111406 Hamiltonian (19124.84619s) started
T01 >> 1462365492.32113600 vbar (11.59561s) started
T01 << 1462365492.33547497 vbar (11.60995s) stopped
T01 >> 1462365492.33554006 XC 3D grid (8292.56690s) started
T01 >> 1462365492.50959492 van der Waals (8005.95224s) started
T01 >> 1462365492.55251694 semilocal (1793.26683s) started
T01 << 1462365494.77195406 semilocal (1795.48627s) stopped
T01 >> 1462365494.80263805 redistribute (860.57413s) started
T01 << 1462365495.18589401 redistribute (860.95738s) stopped
T01 >> 1462365495.18596196 libvdwxc nonlocal (5291.42840s) started
T01 << 1462365501.87116790 libvdwxc nonlocal (5298.11361s) stopped
T01 >> 1462365501.87123394 redistribute (860.95742s) started
T01 << 1462365502.53059292 redistribute (861.61678s) stopped
T01 << 1462365502.53210306 van der Waals (8015.97475s) stopped
T01 << 1462365502.70524907 XC 3D grid (8302.93661s) stopped
T01 >> 1462365502.70529389 Poisson (1656.95368s) started
T01 << 1462365505.05296803 Poisson (1659.30135s) stopped
T01 >> 1462365505.05303597 Hartree integrate/restrict (65.85628s) started
T01 << 1462365505.07202792 Hartree integrate/restrict (65.87527s) stopped
T01 >> 1462365505.07207799 Hartree integrate/restrict (65.87530s) started
T01 << 1462365505.13445711 Hartree integrate/restrict (65.93768s) stopped
T01 >> 1462365505.15135193 Atomic (5087.55066s) started
T01 >> 1462365505.16156411 XC Correction (5077.01702s) started
T01 << 1462365511.52437091 XC Correction (5083.37983s) stopped
T01 << 1462365511.52737403 Atomic (5093.92669s) stopped
T01 >> 1462365511.52747893 Communicate (3993.40828s) started
T01 << 1462365516.35262895 Communicate (3998.23343s) stopped
T01 << 1462365516.35265589 Hamiltonian (19148.87773s) stopped
T01 >> 1462365516.35272002 LCAO eigensolver (6926.64597s) started
T01 >> 1462365516.35273290 Potential matrix (226.09100s) started
T01 << 1462365516.63062811 Potential matrix (226.36890s) stopped
T01 >> 1462365516.63070512 DistributedAtomicCorrection (1157.96743s) started
T01 << 1462365518.04214597 DistributedAtomicCorrection (1159.37887s) stopped
T01 >> 1462365518.04222488 Distribute overlap matrix (1014.57993s) started
T01 >> 1462365518.04224706 blocked summation (962.54148s) started
T01 << 1462365519.16233206 blocked summation (963.66157s) stopped
T01 >> 1462365519.16401911 Scalapack redistribute (50.62864s) started
T01 << 1462365519.22191691 Scalapack redistribute (50.68654s) stopped
T01 << 1462365519.22200608 Distribute overlap matrix (1015.75971s) stopped
T01 >> 1462365519.22261500 Blacs Orbital Layouts (2376.68666s) started
T01 >> 1462365519.22377110 General diagonalize (2328.58772s) started
T01 << 1462365521.89730906 General diagonalize (2331.26126s) stopped
T01 >> 1462365521.89737797 Redistribute coefs (2.66886s) started
T01 << 1462365521.90104389 Redistribute coefs (2.67253s) stopped
T01 >> 1462365521.90109110 Send coefs to domains (44.01117s) started
T01 << 1462365521.95018411 Send coefs to domains (44.06026s) stopped
T01 << 1462365521.95046091 Blacs Orbital Layouts (2379.41450s) stopped
T01 >> 1462365521.95051789 Calculate projections (2150.57224s) started
T01 << 1462365524.40980005 Calculate projections (2153.03152s) stopped
T01 << 1462365524.41007590 LCAO eigensolver (6934.70333s) stopped
T01 >> 1462365524.41079903 Density (1708.74653s) started
T01 >> 1462365524.41081190 Pseudo density (1415.00336s) started
T01 >> 1462365524.41126490 Calculate density matrix (1270.80930s) started
T01 << 1462365526.01330805 Calculate density matrix (1272.41135s) stopped
T01 >> 1462365526.01339698 Construct density (142.12869s) started
T01 << 1462365526.20224905 Construct density (142.31754s) stopped
T01 >> 1462365526.20456696 Symmetrize density (0.03565s) started
T01 << 1462365526.20460010 Symmetrize density (0.03568s) stopped
T01 << 1462365526.20504594 Pseudo density (1416.79760s) stopped
T01 >> 1462365526.20506597 Atomic density matrices (195.00733s) started
T01 << 1462365526.44423509 Atomic density matrices (195.24650s) stopped
T01 >> 1462365526.44427609 Multipole moments (3.21840s) started
T01 << 1462365526.44853306 Multipole moments (3.22266s) stopped
T01 >> 1462365526.44855499 Normalize (0.88135s) started
T01 << 1462365526.44962311 Normalize (0.88242s) stopped
T01 >> 1462365526.44966197 Mix (94.58083s) started
T01 << 1462365526.56972098 Mix (94.70089s) stopped
T01 << 1462365526.56978893 Density (1710.90552s) stopped
T01 >> 1462365526.56992793 Hamiltonian (19148.87775s) started
T01 >> 1462365526.56994796 vbar (11.60998s) started
T01 << 1462365526.58489609 vbar (11.62493s) stopped
T01 >> 1462365526.58496094 XC 3D grid (8302.93664s) started
T01 >> 1462365526.77592707 van der Waals (8015.97480s) started
T01 >> 1462365526.81706905 semilocal (1795.48636s) started
T01 << 1462365529.02793503 semilocal (1797.69723s) stopped
T01 >> 1462365529.05901003 redistribute (861.61688s) started
T01 << 1462365529.44280291 redistribute (862.00067s) stopped
T01 >> 1462365529.44287109 libvdwxc nonlocal (5298.11365s) started
T01 << 1462365536.11164188 libvdwxc nonlocal (5304.78242s) stopped
T01 >> 1462365536.11172605 redistribute (862.00071s) started
T01 << 1462365536.77346301 redistribute (862.66245s) stopped
T01 << 1462365536.77483106 van der Waals (8025.97371s) stopped
T01 << 1462365536.94635010 XC 3D grid (8313.29803s) stopped
T01 >> 1462365536.94640088 Poisson (1659.30140s) started
T01 << 1462365539.31905389 Poisson (1661.67406s) stopped
T01 >> 1462365539.31912398 Hartree integrate/restrict (65.93772s) started
T01 << 1462365539.33832598 Hartree integrate/restrict (65.95692s) stopped
T01 >> 1462365539.33839512 Hartree integrate/restrict (65.95697s) started
T01 << 1462365539.40042901 Hartree integrate/restrict (66.01900s) stopped
T01 >> 1462365539.41796494 Atomic (5093.92670s) started
T01 >> 1462365539.42829204 XC Correction (5083.37985s) started
T01 << 1462365545.78293109 XC Correction (5089.73449s) stopped
T01 << 1462365545.78592205 Atomic (5100.29466s) stopped
T01 >> 1462365545.78602409 Communicate (3998.23345s) started
T01 << 1462365550.80384898 Communicate (4003.25127s) stopped
T01 << 1462365550.80389500 Hamiltonian (19173.11171s) stopped
T01 >> 1462365550.80396104 LCAO eigensolver (6934.70335s) started
T01 >> 1462365550.80397391 Potential matrix (226.36894s) started
T01 << 1462365551.08093309 Potential matrix (226.64590s) stopped
T01 >> 1462365551.08101010 DistributedAtomicCorrection (1159.37891s) started
T01 << 1462365552.49514008 DistributedAtomicCorrection (1160.79304s) stopped
T01 >> 1462365552.49521899 Distribute overlap matrix (1015.75973s) started
T01 >> 1462365552.49524093 blocked summation (963.66161s) started
T01 << 1462365553.64897704 blocked summation (964.81534s) stopped
T01 >> 1462365553.65067911 Scalapack redistribute (50.68657s) started
T01 << 1462365553.71094298 Scalapack redistribute (50.74684s) stopped
T01 << 1462365553.71103597 Distribute overlap matrix (1016.97554s) stopped
T01 >> 1462365553.71162510 Blacs Orbital Layouts (2379.41452s) started
T01 >> 1462365553.71278691 General diagonalize (2331.26129s) started
T01 << 1462365556.38163304 General diagonalize (2333.93014s) stopped
T01 >> 1462365556.38170409 Redistribute coefs (2.67256s) started
T01 << 1462365556.38543391 Redistribute coefs (2.67629s) stopped
T01 >> 1462365556.38548303 Send coefs to domains (44.06030s) started
T01 << 1462365556.43738198 Send coefs to domains (44.11220s) stopped
T01 << 1462365556.43768811 Blacs Orbital Layouts (2382.14058s) stopped
T01 >> 1462365556.43774390 Calculate projections (2153.03157s) started
T01 << 1462365558.89557195 Calculate projections (2155.48940s) stopped
T01 << 1462365558.89584994 LCAO eigensolver (6942.79524s) stopped
T01 >> 1462365558.89657903 Density (1710.90554s) started
T01 >> 1462365558.89659190 Pseudo density (1416.79761s) started
T01 >> 1462365558.89711595 Calculate density matrix (1272.41139s) started
T01 << 1462365560.50266409 Calculate density matrix (1274.01694s) stopped
T01 >> 1462365560.50274992 Construct density (142.31758s) started
T01 << 1462365560.69232607 Construct density (142.50715s) stopped
T01 >> 1462365560.69462395 Symmetrize density (0.03569s) started
T01 << 1462365560.69465995 Symmetrize density (0.03573s) stopped
T01 << 1462365560.69510102 Pseudo density (1418.59612s) stopped
T01 >> 1462365560.69512105 Atomic density matrices (195.24653s) started
T01 << 1462365560.93456197 Atomic density matrices (195.48597s) stopped
T01 >> 1462365560.93460298 Multipole moments (3.22267s) started
T01 << 1462365560.93890500 Multipole moments (3.22697s) stopped
T01 >> 1462365560.93892694 Normalize (0.88245s) started
T01 << 1462365560.94007206 Normalize (0.88360s) stopped
T01 >> 1462365560.94010711 Mix (94.70096s) started
T01 << 1462365561.06177211 Mix (94.82262s) stopped
T01 << 1462365561.06187797 Density (1713.07084s) stopped
T01 >> 1462365561.06201196 Hamiltonian (19173.11173s) started
T01 >> 1462365561.06203508 vbar (11.62497s) started
T01 << 1462365561.07594705 vbar (11.63888s) stopped
T01 >> 1462365561.07602310 XC 3D grid (8313.29807s) started
T01 >> 1462365561.25515509 van der Waals (8025.97380s) started
T01 >> 1462365561.29736710 semilocal (1797.69731s) started
T01 << 1462365563.50687695 semilocal (1799.90682s) stopped
T01 >> 1462365563.53741193 redistribute (862.66251s) started
T01 << 1462365563.94210505 redistribute (863.06720s) stopped
T01 >> 1462365563.94217396 libvdwxc nonlocal (5304.78248s) started
T01 << 1462365570.62144399 libvdwxc nonlocal (5311.46175s) stopped
T01 >> 1462365570.62152910 redistribute (863.06724s) started
T01 << 1462365571.28262806 redistribute (863.72834s) stopped
T01 << 1462365571.28397608 van der Waals (8036.00262s) stopped
T01 << 1462365571.45743895 XC 3D grid (8323.67948s) stopped
T01 >> 1462365571.45749807 Poisson (1661.67411s) started
T01 << 1462365573.82184005 Poisson (1664.03845s) stopped
T01 >> 1462365573.82196808 Hartree integrate/restrict (66.01904s) started
T01 << 1462365573.84114599 Hartree integrate/restrict (66.03822s) stopped
T01 >> 1462365573.84126496 Hartree integrate/restrict (66.03831s) started
T01 << 1462365573.90324497 Hartree integrate/restrict (66.10029s) stopped
T01 >> 1462365573.92003202 Atomic (5100.29468s) started
T01 >> 1462365573.93032193 XC Correction (5089.73451s) started
T01 << 1462365580.26638508 XC Correction (5096.07058s) stopped
T01 << 1462365580.26939392 Atomic (5106.64404s) stopped
T01 >> 1462365580.26949596 Communicate (4003.25131s) started
T01 << 1462365585.49081707 Communicate (4008.47263s) stopped
T01 << 1462365585.49083996 Hamiltonian (19197.54056s) stopped
T01 >> 1462365585.49090695 LCAO eigensolver (6942.79525s) started
T01 >> 1462365585.49092007 Potential matrix (226.64594s) started
T01 << 1462365585.76752806 Potential matrix (226.92255s) stopped
T01 >> 1462365585.76760411 DistributedAtomicCorrection (1160.79307s) started
T01 << 1462365587.16394711 DistributedAtomicCorrection (1162.18942s) stopped
T01 >> 1462365587.16402602 Distribute overlap matrix (1016.97555s) started
T01 >> 1462365587.16404796 blocked summation (964.81538s) started
T01 << 1462365588.30653310 blocked summation (965.95787s) stopped
T01 >> 1462365588.30877900 Scalapack redistribute (50.74688s) started
T01 << 1462365588.36787891 Scalapack redistribute (50.80598s) stopped
T01 << 1462365588.36796999 Distribute overlap matrix (1018.17950s) stopped
T01 >> 1462365588.36855888 Blacs Orbital Layouts (2382.14060s) started
T01 >> 1462365588.36970210 General diagonalize (2333.93018s) started
T01 << 1462365591.04120111 General diagonalize (2336.60168s) stopped
T01 >> 1462365591.04127002 Redistribute coefs (2.67633s) started
T01 << 1462365591.04438996 Redistribute coefs (2.67945s) stopped
T01 >> 1462365591.04444003 Send coefs to domains (44.11225s) started
T01 << 1462365591.09678698 Send coefs to domains (44.16460s) stopped
T01 << 1462365591.09705591 Blacs Orbital Layouts (2384.86910s) stopped
T01 >> 1462365591.09710908 Calculate projections (2155.48945s) started
T01 << 1462365593.55465388 Calculate projections (2157.94700s) stopped
T01 << 1462365593.55509090 LCAO eigensolver (6950.85944s) stopped
T01 >> 1462365593.55579495 Density (1713.07086s) started
T01 >> 1462365593.55580902 Pseudo density (1418.59614s) started
T01 >> 1462365593.55633092 Calculate density matrix (1274.01698s) started
T01 << 1462365595.16625309 Calculate density matrix (1275.62690s) stopped
T01 >> 1462365595.16634011 Construct density (142.50719s) started
T01 << 1462365595.35535598 Construct density (142.69621s) stopped
T01 >> 1462365595.35766602 Symmetrize density (0.03574s) started
T01 << 1462365595.35769892 Symmetrize density (0.03577s) stopped
T01 << 1462365595.35813808 Pseudo density (1420.39847s) stopped
T01 >> 1462365595.35815692 Atomic density matrices (195.48600s) started
T01 << 1462365595.59749699 Atomic density matrices (195.72534s) stopped
T01 >> 1462365595.59753704 Multipole moments (3.22698s) started
T01 << 1462365595.60192204 Multipole moments (3.23137s) stopped
T01 >> 1462365595.60194397 Normalize (0.88362s) started
T01 << 1462365595.60306692 Normalize (0.88474s) stopped
T01 >> 1462365595.60310102 Mix (94.82273s) started
T01 << 1462365595.72420192 Mix (94.94383s) stopped
T01 << 1462365595.72429705 Density (1715.23936s) stopped
T01 >> 1462365595.72443008 Hamiltonian (19197.54057s) started
T01 >> 1462365595.72445011 vbar (11.63892s) started
T01 << 1462365595.73858404 vbar (11.65306s) stopped
T01 >> 1462365595.73867011 XC 3D grid (8323.67953s) started
T01 >> 1462365595.92073011 van der Waals (8036.00268s) started
T01 >> 1462365595.96293592 semilocal (1799.90694s) started
T01 << 1462365598.17647290 semilocal (1802.12048s) stopped
T01 >> 1462365598.20626092 redistribute (863.72843s) started
T01 << 1462365598.59783101 redistribute (864.12000s) stopped
T01 >> 1462365598.59789896 libvdwxc nonlocal (5311.46181s) started
T01 << 1462365605.29165411 libvdwxc nonlocal (5318.15556s) stopped
T01 >> 1462365605.29172611 redistribute (864.12004s) started
T01 << 1462365605.95347309 redistribute (864.78179s) stopped
T01 << 1462365605.95483398 van der Waals (8046.03678s) stopped
T01 << 1462365606.12712908 XC 3D grid (8334.06799s) stopped
T01 >> 1462365606.12717891 Poisson (1664.03855s) started
T01 << 1462365607.91877198 Poisson (1665.83015s) stopped
T01 >> 1462365607.91884708 Hartree integrate/restrict (66.10033s) started
T01 << 1462365607.93774199 Hartree integrate/restrict (66.11922s) stopped
T01 >> 1462365607.93779397 Hartree integrate/restrict (66.11926s) started
T01 << 1462365608.00605392 Hartree integrate/restrict (66.18752s) stopped
T01 >> 1462365608.01874208 Atomic (5106.64406s) started
T01 >> 1462365608.02911997 XC Correction (5096.07060s) started
T01 << 1462365614.39049006 XC Correction (5102.43197s) stopped
T01 << 1462365614.39351010 Atomic (5113.01883s) stopped
T01 >> 1462365614.39361310 Communicate (4008.47265s) started
T01 << 1462365619.68493605 Communicate (4013.76397s) stopped
T01 << 1462365619.68495989 Hamiltonian (19221.50110s) stopped
T01 >> 1462365619.68502498 LCAO eigensolver (6950.85946s) started
T01 >> 1462365619.68503809 Potential matrix (226.92259s) started
T01 << 1462365619.96085310 Potential matrix (227.19840s) stopped
T01 >> 1462365619.96092796 DistributedAtomicCorrection (1162.18946s) started
T01 << 1462365621.35976410 DistributedAtomicCorrection (1163.58829s) stopped
T01 >> 1462365621.35984397 Distribute overlap matrix (1018.17951s) started
T01 >> 1462365621.35986590 blocked summation (965.95791s) started
T01 << 1462365622.49384189 blocked summation (967.09188s) stopped
T01 >> 1462365622.49552107 Scalapack redistribute (50.80601s) started
T01 << 1462365622.55383492 Scalapack redistribute (50.86433s) stopped
T01 << 1462365622.55392694 Distribute overlap matrix (1019.37359s) stopped
T01 >> 1462365622.55451608 Blacs Orbital Layouts (2384.86912s) started
T01 >> 1462365622.55569196 General diagonalize (2336.60172s) started
T01 << 1462365625.24491405 General diagonalize (2339.29094s) stopped
T01 >> 1462365625.24498200 Redistribute coefs (2.67949s) started
T01 << 1462365625.24861908 Redistribute coefs (2.68313s) stopped
T01 >> 1462365625.24867010 Send coefs to domains (44.16464s) started
T01 << 1462365625.30012393 Send coefs to domains (44.21609s) stopped
T01 << 1462365625.30040693 Blacs Orbital Layouts (2387.61501s) stopped
T01 >> 1462365625.30046201 Calculate projections (2157.94705s) started
T01 << 1462365627.75840902 Calculate projections (2160.40500s) stopped
T01 << 1462365627.75869298 LCAO eigensolver (6958.93312s) stopped
T01 >> 1462365627.75941300 Density (1715.23938s) started
T01 >> 1462365627.75942612 Pseudo density (1420.39848s) started
T01 >> 1462365627.75995588 Calculate density matrix (1275.62695s) started
T01 << 1462365629.36797690 Calculate density matrix (1277.23497s) stopped
T01 >> 1462365629.36806297 Construct density (142.69624s) started
T01 << 1462365629.55674911 Construct density (142.88493s) stopped
T01 >> 1462365629.55905700 Symmetrize density (0.03578s) started
T01 << 1462365629.55908990 Symmetrize density (0.03582s) stopped
T01 << 1462365629.55952907 Pseudo density (1422.19858s) stopped
T01 >> 1462365629.55954909 Atomic density matrices (195.72536s) started
T01 << 1462365629.79973006 Atomic density matrices (195.96555s) stopped
T01 >> 1462365629.79977202 Multipole moments (3.23138s) started
T01 << 1462365629.80415511 Multipole moments (3.23577s) stopped
T01 >> 1462365629.80417800 Normalize (0.88477s) started
T01 << 1462365629.80530310 Normalize (0.88589s) stopped
T01 >> 1462365629.80533791 Mix (94.94392s) started
T01 << 1462365629.92502689 Mix (95.06361s) stopped
T01 << 1462365629.92508507 Density (1717.40505s) stopped
T01 >> 1462365629.92523599 Hamiltonian (19221.50111s) started
T01 >> 1462365629.92525792 vbar (11.65310s) started
T01 << 1462365629.93978906 vbar (11.66763s) stopped
T01 >> 1462365629.93985295 XC 3D grid (8334.06803s) started
T01 >> 1462365630.11907291 van der Waals (8046.03683s) started
T01 >> 1462365630.16203094 semilocal (1802.12056s) started
T01 << 1462365632.37944603 semilocal (1804.33798s) stopped
T01 >> 1462365632.40991497 redistribute (864.78185s) started
T01 << 1462365632.81483603 redistribute (865.18677s) stopped
T01 >> 1462365632.81490302 libvdwxc nonlocal (5318.15561s) started
T01 << 1462365639.50545406 libvdwxc nonlocal (5324.84616s) stopped
T01 >> 1462365639.50553799 redistribute (865.18681s) started
T01 << 1462365640.16712499 redistribute (865.84839s) stopped
T01 << 1462365640.16880393 van der Waals (8056.08656s) stopped
T01 << 1462365640.33923793 XC 3D grid (8344.46741s) stopped
T01 >> 1462365640.33928394 Poisson (1665.83020s) started
T01 << 1462365642.13512707 Poisson (1667.62604s) stopped
T01 >> 1462365642.13520288 Hartree integrate/restrict (66.18756s) started
T01 << 1462365642.15435410 Hartree integrate/restrict (66.20671s) stopped
T01 >> 1462365642.15439892 Hartree integrate/restrict (66.20674s) started
T01 << 1462365642.22195601 Hartree integrate/restrict (66.27430s) stopped
T01 >> 1462365642.23460603 Atomic (5113.01884s) started
T01 >> 1462365642.24506307 XC Correction (5102.43199s) started
T01 << 1462365648.58918905 XC Correction (5108.77612s) stopped
T01 << 1462365648.59217596 Atomic (5119.37641s) stopped
T01 >> 1462365648.59227610 Communicate (4013.76398s) started
T01 << 1462365653.73145700 Communicate (4018.90317s) stopped
T01 << 1462365653.73148108 Hamiltonian (19245.30736s) stopped
T01 >> 1462365653.73154593 LCAO eigensolver (6958.93314s) started
T01 >> 1462365653.73155808 Potential matrix (227.19844s) started
T01 << 1462365654.00890899 Potential matrix (227.47580s) stopped
T01 >> 1462365654.00898409 DistributedAtomicCorrection (1163.58833s) started
T01 << 1462365655.42683911 DistributedAtomicCorrection (1165.00619s) stopped
T01 >> 1462365655.42691803 Distribute overlap matrix (1019.37361s) started
T01 >> 1462365655.42693996 blocked summation (967.09192s) started
T01 << 1462365656.52972293 blocked summation (968.19471s) stopped
T01 >> 1462365656.53141308 Scalapack redistribute (50.86436s) started
T01 << 1462365656.59136605 Scalapack redistribute (50.92432s) stopped
T01 << 1462365656.59146309 Distribute overlap matrix (1020.53815s) stopped
T01 >> 1462365656.59204698 Blacs Orbital Layouts (2387.61502s) started
T01 >> 1462365656.59318590 General diagonalize (2339.29098s) started
T01 << 1462365659.28653693 General diagonalize (2341.98433s) stopped
T01 >> 1462365659.28660393 Redistribute coefs (2.68317s) started
T01 << 1462365659.29024792 Redistribute coefs (2.68681s) stopped
T01 >> 1462365659.29029489 Send coefs to domains (44.21613s) started
T01 << 1462365659.34314299 Send coefs to domains (44.26898s) stopped
T01 << 1462365659.34342599 Blacs Orbital Layouts (2390.36640s) stopped
T01 >> 1462365659.34347701 Calculate projections (2160.40505s) started
T01 << 1462365661.80144596 Calculate projections (2162.86302s) stopped
T01 << 1462365661.80172992 LCAO eigensolver (6967.00333s) stopped
T01 >> 1462365661.80245090 Density (1717.40507s) started
T01 >> 1462365661.80246401 Pseudo density (1422.19860s) started
T01 >> 1462365661.80299807 Calculate density matrix (1277.23501s) started
T01 << 1462365663.41235495 Calculate density matrix (1278.84437s) stopped
T01 >> 1462365663.41244197 Construct density (142.88496s) started
T01 << 1462365663.60186791 Construct density (143.07439s) stopped
T01 >> 1462365663.60416389 Symmetrize density (0.03583s) started
T01 << 1462365663.60419703 Symmetrize density (0.03586s) stopped
T01 << 1462365663.60463691 Pseudo density (1424.00077s) stopped
T01 >> 1462365663.60466099 Atomic density matrices (195.96557s) started
T01 << 1462365663.84325409 Atomic density matrices (196.20417s) stopped
T01 >> 1462365663.84329605 Multipole moments (3.23578s) started
T01 << 1462365663.84767509 Multipole moments (3.24016s) stopped
T01 >> 1462365663.84769797 Normalize (0.88592s) started
T01 << 1462365663.84883809 Normalize (0.88706s) stopped
T01 >> 1462365663.84887290 Mix (95.06366s) started
T01 << 1462365663.96953893 Mix (95.18433s) stopped
T01 << 1462365663.96963692 Density (1719.57225s) stopped
T01 >> 1462365663.96976089 Hamiltonian (19245.30737s) started
T01 >> 1462365663.96978092 vbar (11.66767s) started
T01 << 1462365663.98375893 vbar (11.68165s) stopped
T01 >> 1462365663.98382592 XC 3D grid (8344.46745s) started
T01 >> 1462365664.16299105 van der Waals (8056.08668s) started
T01 >> 1462365664.20607901 semilocal (1804.33803s) started
T01 << 1462365666.43765306 semilocal (1806.56960s) stopped
T01 >> 1462365666.46701407 redistribute (865.84850s) started
T01 << 1462365666.84381008 redistribute (866.22530s) stopped
T01 >> 1462365666.84387803 libvdwxc nonlocal (5324.84622s) started
T01 << 1462365673.52101898 libvdwxc nonlocal (5331.52336s) stopped
T01 >> 1462365673.52107811 redistribute (866.22533s) started
T01 << 1462365674.18928099 redistribute (866.89354s) stopped
T01 << 1462365674.19062209 van der Waals (8066.11431s) stopped
T01 << 1462365674.36447501 XC 3D grid (8354.84809s) stopped
T01 >> 1462365674.36454296 Poisson (1667.62610s) started
T01 << 1462365676.15120006 Poisson (1669.41276s) stopped
T01 >> 1462365676.15132403 Hartree integrate/restrict (66.27434s) started
T01 << 1462365676.17036390 Hartree integrate/restrict (66.29338s) stopped
T01 >> 1462365676.17042494 Hartree integrate/restrict (66.29341s) started
T01 << 1462365676.23682404 Hartree integrate/restrict (66.35981s) stopped
T01 >> 1462365676.25506902 Atomic (5119.37643s) started
T01 >> 1462365676.26539612 XC Correction (5108.77614s) started
T01 << 1462365682.59480906 XC Correction (5115.10556s) stopped
T01 << 1462365682.59783006 Atomic (5125.71919s) stopped
T01 >> 1462365682.59793210 Communicate (4018.90318s) started
T01 << 1462365687.57605505 Communicate (4023.88130s) stopped
T01 << 1462365687.57607794 Hamiltonian (19268.91369s) stopped
T01 >> 1462365687.57614207 LCAO eigensolver (6967.00335s) started
T01 >> 1462365687.57615399 Potential matrix (227.47584s) started
T01 << 1462365687.85224605 Potential matrix (227.75193s) stopped
T01 >> 1462365687.85232306 DistributedAtomicCorrection (1165.00622s) started
T01 << 1462365689.26693797 DistributedAtomicCorrection (1166.42084s) stopped
T01 >> 1462365689.26701808 Distribute overlap matrix (1020.53817s) started
T01 >> 1462365689.26704001 blocked summation (968.19475s) started
T01 << 1462365690.38824105 blocked summation (969.31595s) stopped
T01 >> 1462365690.39047503 Scalapack redistribute (50.92435s) started
T01 << 1462365690.44859195 Scalapack redistribute (50.98247s) stopped
T01 << 1462365690.44868302 Distribute overlap matrix (1021.71983s) stopped
T01 >> 1462365690.44927311 Blacs Orbital Layouts (2390.36642s) started
T01 >> 1462365690.45072007 General diagonalize (2341.98437s) started
T01 << 1462365693.12009501 General diagonalize (2344.65374s) stopped
T01 >> 1462365693.12016392 Redistribute coefs (2.68685s) started
T01 << 1462365693.12340903 Redistribute coefs (2.69009s) stopped
T01 >> 1462365693.12345791 Send coefs to domains (44.26903s) started
T01 << 1462365693.17601299 Send coefs to domains (44.32158s) stopped
T01 << 1462365693.17631292 Blacs Orbital Layouts (2393.09346s) stopped
T01 >> 1462365693.17636299 Calculate projections (2162.86308s) started
T01 << 1462365695.63397503 Calculate projections (2165.32069s) stopped
T01 << 1462365695.63441205 LCAO eigensolver (6975.06162s) stopped
T01 >> 1462365695.63512897 Density (1719.57228s) started
T01 >> 1462365695.63514209 Pseudo density (1424.00079s) started
T01 >> 1462365695.63566804 Calculate density matrix (1278.84441s) started
T01 << 1462365697.24556899 Calculate density matrix (1280.45431s) stopped
T01 >> 1462365697.24566293 Construct density (143.07442s) started
T01 << 1462365697.43465710 Construct density (143.26342s) stopped
T01 >> 1462365697.43695307 Symmetrize density (0.03587s) started
T01 << 1462365697.43698597 Symmetrize density (0.03591s) stopped
T01 << 1462365697.43742299 Pseudo density (1425.80307s) stopped
T01 >> 1462365697.43744206 Atomic density matrices (196.20419s) started
T01 << 1462365697.67695308 Atomic density matrices (196.44371s) stopped
T01 >> 1462365697.67699409 Multipole moments (3.24018s) started
T01 << 1462365697.68136501 Multipole moments (3.24455s) stopped
T01 >> 1462365697.68138695 Normalize (0.88708s) started
T01 << 1462365697.68252206 Normalize (0.88822s) stopped
T01 >> 1462365697.68255711 Mix (95.18442s) started
T01 << 1462365697.80380011 Mix (95.30567s) stopped
T01 << 1462365697.80392289 Density (1721.74107s) stopped
T01 >> 1462365697.80404902 Hamiltonian (19268.91370s) started
T01 >> 1462365697.80407000 vbar (11.68169s) started
T01 << 1462365697.81781292 vbar (11.69543s) stopped
T01 >> 1462365697.81788206 XC 3D grid (8354.84815s) started
T01 >> 1462365697.99642491 van der Waals (8066.11438s) started
T01 >> 1462365698.03895712 semilocal (1806.56972s) started
T01 << 1462365700.27315092 semilocal (1808.80392s) stopped
T01 >> 1462365700.30358696 redistribute (866.89359s) started
T01 << 1462365700.69733000 redistribute (867.28733s) stopped
T01 >> 1462365700.69739795 libvdwxc nonlocal (5331.52340s) started
T01 << 1462365707.36368108 libvdwxc nonlocal (5338.18968s) stopped
T01 >> 1462365707.36376500 redistribute (867.28737s) started
T01 << 1462365708.02644897 redistribute (867.95006s) stopped
T01 << 1462365708.02781010 van der Waals (8076.14577s) stopped
T01 << 1462365708.19966412 XC 3D grid (8365.22993s) stopped
T01 >> 1462365708.19971108 Poisson (1669.41285s) started
T01 << 1462365709.98000193 Poisson (1671.19314s) stopped
T01 >> 1462365709.98007798 Hartree integrate/restrict (66.35986s) started
T01 << 1462365709.99917793 Hartree integrate/restrict (66.37896s) stopped
T01 >> 1462365709.99922800 Hartree integrate/restrict (66.37899s) started
T01 << 1462365710.06180811 Hartree integrate/restrict (66.44157s) stopped
T01 >> 1462365710.07874703 Atomic (5125.71921s) started
T01 >> 1462365710.08901906 XC Correction (5115.10558s) started
T01 << 1462365716.40844798 XC Correction (5121.42501s) stopped
T01 << 1462365716.41147804 Atomic (5132.05194s) stopped
T01 >> 1462365716.41157889 Communicate (4023.88132s) started
T01 << 1462365721.46855688 Communicate (4028.93830s) stopped
T01 << 1462365721.46858001 Hamiltonian (19292.57823s) stopped
T01 >> 1462365721.46864700 LCAO eigensolver (6975.06164s) started
T01 >> 1462365721.46866107 Potential matrix (227.75197s) started
T01 << 1462365721.74706006 Potential matrix (228.03037s) stopped
T01 >> 1462365721.74713612 DistributedAtomicCorrection (1166.42088s) started
T01 << 1462365723.16256809 DistributedAtomicCorrection (1167.83631s) stopped
T01 >> 1462365723.16265202 Distribute overlap matrix (1021.71984s) started
T01 >> 1462365723.16267610 blocked summation (969.31599s) started
T01 << 1462365724.27860188 blocked summation (970.43192s) stopped
T01 >> 1462365724.28029299 Scalapack redistribute (50.98251s) started
T01 << 1462365724.33891511 Scalapack redistribute (51.04113s) stopped
T01 << 1462365724.33900189 Distribute overlap matrix (1022.89619s) stopped
T01 >> 1462365724.33960390 Blacs Orbital Layouts (2393.09348s) started
T01 >> 1462365724.34079003 General diagonalize (2344.65378s) started
T01 << 1462365727.00619698 General diagonalize (2347.31919s) stopped
T01 >> 1462365727.00626707 Redistribute coefs (2.69013s) started
T01 << 1462365727.01001906 Redistribute coefs (2.69388s) stopped
T01 >> 1462365727.01006699 Send coefs to domains (44.32163s) started
T01 << 1462365727.06210089 Send coefs to domains (44.37366s) stopped
T01 << 1462365727.06240392 Blacs Orbital Layouts (2395.81628s) stopped
T01 >> 1462365727.06245708 Calculate projections (2165.32075s) started
T01 << 1462365729.52023005 Calculate projections (2167.77852s) stopped
T01 << 1462365729.52050304 LCAO eigensolver (6983.11349s) stopped
T01 >> 1462365729.52123594 Density (1721.74109s) started
T01 >> 1462365729.52124906 Pseudo density (1425.80308s) started
T01 >> 1462365729.52178407 Calculate density matrix (1280.45435s) started
T01 << 1462365731.13437200 Calculate density matrix (1282.06694s) stopped
T01 >> 1462365731.13445592 Construct density (143.26345s) started
T01 << 1462365731.32319188 Construct density (143.45219s) stopped
T01 >> 1462365731.32552600 Symmetrize density (0.03592s) started
T01 << 1462365731.32556009 Symmetrize density (0.03595s) stopped
T01 << 1462365731.32600403 Pseudo density (1427.60784s) stopped
T01 >> 1462365731.32602501 Atomic density matrices (196.44373s) started
T01 << 1462365731.56570697 Atomic density matrices (196.68341s) stopped
T01 >> 1462365731.56574798 Multipole moments (3.24456s) started
T01 << 1462365731.57015491 Multipole moments (3.24897s) stopped
T01 >> 1462365731.57017803 Normalize (0.88824s) started
T01 << 1462365731.57131290 Normalize (0.88938s) stopped
T01 >> 1462365731.57134795 Mix (95.30578s) started
T01 << 1462365731.69220710 Mix (95.42664s) stopped
T01 << 1462365731.69231892 Density (1723.91217s) stopped
T01 >> 1462365731.69245410 Hamiltonian (19292.57824s) started
T01 >> 1462365731.69247198 vbar (11.69547s) started
T01 << 1462365731.70665503 vbar (11.70965s) stopped
T01 >> 1462365731.70672107 XC 3D grid (8365.22997s) started
T01 >> 1462365731.88441300 van der Waals (8076.14582s) started
T01 >> 1462365731.92861795 semilocal (1808.80400s) started
T01 << 1462365734.15442204 semilocal (1811.02980s) stopped
T01 >> 1462365734.18457103 redistribute (867.95012s) started
T01 << 1462365734.57321000 redistribute (868.33876s) stopped
T01 >> 1462365734.57327700 libvdwxc nonlocal (5338.18974s) started
T01 << 1462365741.25555110 libvdwxc nonlocal (5344.87201s) stopped
T01 >> 1462365741.25562596 redistribute (868.33880s) started
T01 << 1462365741.92133093 redistribute (869.00450s) stopped
T01 << 1462365741.92270303 van der Waals (8086.18411s) stopped
T01 << 1462365742.09549093 XC 3D grid (8375.61874s) stopped
T01 >> 1462365742.09553790 Poisson (1671.19320s) started
T01 << 1462365743.88433409 Poisson (1672.98200s) stopped
T01 >> 1462365743.88441110 Hartree integrate/restrict (66.44161s) started
T01 << 1462365743.90335202 Hartree integrate/restrict (66.46055s) stopped
T01 >> 1462365743.90341401 Hartree integrate/restrict (66.46059s) started
T01 << 1462365743.96601391 Hartree integrate/restrict (66.52319s) stopped
T01 >> 1462365743.98191094 Atomic (5132.05195s) started
T01 >> 1462365743.99230695 XC Correction (5121.42503s) started
T01 << 1462365750.31894708 XC Correction (5127.75167s) stopped
T01 << 1462365750.32196307 Atomic (5138.39201s) stopped
T01 >> 1462365750.32206702 Communicate (4028.93831s) started
T01 << 1462365755.15637302 Communicate (4033.77262s) stopped
T01 << 1462365755.15639591 Hamiltonian (19316.04219s) stopped
T01 >> 1462365755.15646005 LCAO eigensolver (6983.11351s) started
T01 >> 1462365755.15647292 Potential matrix (228.03041s) started
T01 << 1462365755.43550992 Potential matrix (228.30945s) stopped
T01 >> 1462365755.43558502 DistributedAtomicCorrection (1167.83635s) started
T01 << 1462365756.85520506 DistributedAtomicCorrection (1169.25597s) stopped
T01 >> 1462365756.85528588 Distribute overlap matrix (1022.89621s) started
T01 >> 1462365756.85530806 blocked summation (970.43196s) started
T01 << 1462365757.96410203 blocked summation (971.54075s) stopped
T01 >> 1462365757.96635294 Scalapack redistribute (51.04117s) started
T01 << 1462365758.02520204 Scalapack redistribute (51.10002s) stopped
T01 << 1462365758.02529907 Distribute overlap matrix (1024.06622s) stopped
T01 >> 1462365758.02592111 Blacs Orbital Layouts (2395.81630s) started
T01 >> 1462365758.02707601 General diagonalize (2347.31923s) started
T01 << 1462365760.70662594 General diagonalize (2349.99878s) stopped
T01 >> 1462365760.70669699 Redistribute coefs (2.69392s) started
T01 << 1462365760.70992088 Redistribute coefs (2.69714s) stopped
T01 >> 1462365760.70996904 Send coefs to domains (44.37370s) started
T01 << 1462365760.76223111 Send coefs to domains (44.42596s) stopped
T01 << 1462365760.76251197 Blacs Orbital Layouts (2398.55289s) stopped
T01 >> 1462365760.76256490 Calculate projections (2167.77857s) started
T01 << 1462365763.22020197 Calculate projections (2170.23621s) stopped
T01 << 1462365763.22063494 LCAO eigensolver (6991.17768s) stopped
T01 >> 1462365763.22137094 Density (1723.91219s) started
T01 >> 1462365763.22138405 Pseudo density (1427.60785s) started
T01 >> 1462365763.22190595 Calculate density matrix (1282.06698s) started
T01 << 1462365764.82746696 Calculate density matrix (1283.67254s) stopped
T01 >> 1462365764.82755089 Construct density (143.45222s) started
T01 << 1462365765.01657605 Construct density (143.64125s) stopped
T01 >> 1462365765.01887989 Symmetrize density (0.03596s) started
T01 << 1462365765.01891398 Symmetrize density (0.03600s) stopped
T01 << 1462365765.01935291 Pseudo density (1429.40582s) stopped
T01 >> 1462365765.01937294 Atomic density matrices (196.68344s) started
T01 << 1462365765.25859690 Atomic density matrices (196.92267s) stopped
T01 >> 1462365765.25863791 Multipole moments (3.24898s) started
T01 << 1462365765.26296902 Multipole moments (3.25332s) stopped
T01 >> 1462365765.26299191 Normalize (0.88940s) started
T01 << 1462365765.26413488 Normalize (0.89055s) stopped
T01 >> 1462365765.26416993 Mix (95.42675s) started
T01 << 1462365765.38609099 Mix (95.54867s) stopped
T01 << 1462365765.38621712 Density (1726.07704s) stopped
T01 >> 1462365765.38636208 Hamiltonian (19316.04220s) started
T01 >> 1462365765.38638091 vbar (11.70969s) started
T01 << 1462365765.40011501 vbar (11.72342s) stopped
T01 >> 1462365765.40022302 XC 3D grid (8375.61877s) started
T01 >> 1462365765.58113289 van der Waals (8086.18417s) started
T01 >> 1462365765.62409997 semilocal (1811.02991s) started
T01 << 1462365767.84538198 semilocal (1813.25119s) stopped
T01 >> 1462365767.87605309 redistribute (869.00457s) started
T01 << 1462365768.26352811 redistribute (869.39204s) stopped
T01 >> 1462365768.26359797 libvdwxc nonlocal (5344.87206s) started
T01 << 1462365774.93668199 libvdwxc nonlocal (5351.54515s) stopped
T01 >> 1462365774.93676591 redistribute (869.39208s) started
T01 << 1462365775.59910202 redistribute (870.05442s) stopped
T01 << 1462365775.60039401 van der Waals (8096.20343s) stopped
T01 << 1462365775.77583694 XC 3D grid (8385.99439s) stopped
T01 >> 1462365775.77589512 Poisson (1672.98205s) started
T01 << 1462365777.56573200 Poisson (1674.77189s) stopped
T01 >> 1462365777.56585908 Hartree integrate/restrict (66.52323s) started
T01 << 1462365777.58491611 Hartree integrate/restrict (66.54229s) stopped
T01 >> 1462365777.58504891 Hartree integrate/restrict (66.54238s) started
T01 << 1462365777.64646006 Hartree integrate/restrict (66.60379s) stopped
T01 >> 1462365777.66496396 Atomic (5138.39202s) started
T01 >> 1462365777.67542195 XC Correction (5127.75170s) started
T01 << 1462365784.07560205 XC Correction (5134.15188s) stopped
T01 << 1462365784.07861304 Atomic (5144.80567s) stopped
T01 >> 1462365784.07871509 Communicate (4033.77264s) started
T01 << 1462365788.87135601 Communicate (4038.56528s) stopped
T01 << 1462365788.87137890 Hamiltonian (19339.52722s) stopped
T01 >> 1462365788.87144399 LCAO eigensolver (6991.17771s) started
T01 >> 1462365788.87145710 Potential matrix (228.30949s) started
T01 << 1462365789.14723706 Potential matrix (228.58527s) stopped
T01 >> 1462365789.14731193 DistributedAtomicCorrection (1169.25601s) started
T01 << 1462365790.56246400 DistributedAtomicCorrection (1170.67116s) stopped
T01 >> 1462365790.56254411 Distribute overlap matrix (1024.06623s) started
T01 >> 1462365790.56256509 blocked summation (971.54079s) started
T01 << 1462365791.67909288 blocked summation (972.65732s) stopped
T01 >> 1462365791.68061709 Scalapack redistribute (51.10006s) started
T01 << 1462365791.73964691 Scalapack redistribute (51.15909s) stopped
T01 << 1462365791.73974204 Distribute overlap matrix (1025.24343s) stopped
T01 >> 1462365791.74034190 Blacs Orbital Layouts (2398.55290s) started
T01 >> 1462365791.74194908 General diagonalize (2349.99882s) started
T01 << 1462365794.40932012 General diagonalize (2352.66619s) stopped
T01 >> 1462365794.40938807 Redistribute coefs (2.69718s) started
T01 << 1462365794.41264701 Redistribute coefs (2.70044s) stopped
T01 >> 1462365794.41269493 Send coefs to domains (44.42601s) started
T01 << 1462365794.46515703 Send coefs to domains (44.47847s) stopped
T01 << 1462365794.46561289 Blacs Orbital Layouts (2401.27818s) stopped
T01 >> 1462365794.46567297 Calculate projections (2170.23626s) started
T01 << 1462365796.92346811 Calculate projections (2172.69406s) stopped
T01 << 1462365796.92374611 LCAO eigensolver (6999.23001s) stopped
T01 << 1462365796.92447710 SCF-cycle (28065.56647s) stopped
T01 >> 1462365797.83443093 Force calculation (1730.40891s) started
T01 >> 1462365797.83449411 LCAO forces (1065.19033s) started
T01 >> 1462365797.83484793 Initial (0.00126s) started
T01 << 1462365797.83485889 Initial (0.00127s) stopped
T01 >> 1462365797.83914399 Get density matrix (208.23082s) started
T01 << 1462365798.44585609 Get density matrix (208.83753s) stopped
T01 >> 1462365798.44593406 Potential (76.91911s) started
T01 << 1462365799.91052103 Potential (78.38370s) stopped
T01 >> 1462365799.91058493 Get density matrix (208.83757s) started
T01 << 1462365803.24583292 Get density matrix (212.17281s) stopped
T01 >> 1462365803.24598002 Prepare TCI loop (103.35311s) started
T01 >> 1462365803.24645901 Get neighbors (98.12918s) started
T01 << 1462365805.12375808 Get neighbors (100.00648s) stopped
T01 >> 1462365805.12397408 broadcast dH (5.18515s) started
T01 << 1462365805.13394809 broadcast dH (5.19512s) stopped
T01 << 1462365805.13399291 Prepare TCI loop (105.24112s) stopped
T01 >> 1462365805.13401198 Not so complicated loop (149.09949s) started
T01 << 1462365807.88497400 Not so complicated loop (151.85045s) stopped
T01 >> 1462365808.01372504 Complicated loop (519.86776s) started
T01 << 1462365817.95691204 Complicated loop (529.81095s) stopped
T01 >> 1462365817.97782302 Wait for sum (0.00314s) started
T01 << 1462365817.97786999 Wait for sum (0.00318s) stopped
T01 << 1462365817.97788405 LCAO forces (1085.33372s) stopped
T01 << 1462365832.48513293 Force calculation (1765.05961s) stopped
T01 >> 1462365832.50328994 Initialization (2813.09553s) started
T01 << 1462365832.50350404 Initialization (2813.09575s) stopped
T01 >> 1462365832.50392604 Initialization (2813.09576s) started
T01 << 1462365832.50407505 Initialization (2813.09591s) stopped
T01 >> 1462365832.50422192 Initialization (2813.09593s) started
T01 << 1462365832.50436091 Initialization (2813.09607s) stopped
T01 >> 1462365852.90825295 Initialization (2813.09609s) started
T01 >> 1462365852.91845608 Basic WFS set positions (5.48059s) started
T01 >> 1462365852.91848302 Redistribute (0.11749s) started
T01 << 1462365852.91862893 Redistribute (0.11763s) stopped
T01 << 1462365853.01817298 Basic WFS set positions (5.58030s) stopped
T01 >> 1462365853.01820707 Basis functions set positions (23.15173s) started
T01 << 1462365853.43491411 Basis functions set positions (23.56844s) stopped
T01 >> 1462365853.43639302 TCI: Calculate S, T, P (845.09868s) started
T01 << 1462365868.85745907 TCI: Calculate S, T, P (860.51974s) stopped
T01 >> 1462365868.85754991 blocked summation (227.00038s) started
T01 << 1462365872.87588692 blocked summation (231.01871s) stopped
T01 >> 1462365872.87765288 Scalapack redistribute (13.70975s) started
T01 << 1462365872.93435097 Scalapack redistribute (13.76645s) stopped
T01 >> 1462365872.93475795 blocked summation (231.01876s) started
T01 << 1462365873.10230589 blocked summation (231.18631s) stopped
T01 >> 1462365873.10391402 Scalapack redistribute (13.76652s) started
T01 << 1462365873.30670500 Scalapack redistribute (13.96931s) stopped
T01 >> 1462365873.30830789 Redistribute (0.11329s) started
T01 << 1462365873.30926394 Redistribute (0.11425s) stopped
T01 >> 1462365874.23186111 Redistribute (0.11426s) started
T01 << 1462365874.23287296 Redistribute (0.11528s) stopped
T01 >> 1462365874.24334097 LCAO WFS Initialize (1640.42189s) started
T01 >> 1462365874.24336791 Density initialize from wavefunctions (67.30188s) started
T01 >> 1462365874.24382997 Calculate density matrix (38.80744s) started
T01 << 1462365874.96792603 Calculate density matrix (39.53154s) stopped
T01 >> 1462365874.96798611 Construct density (9.76818s) started
T01 << 1462365875.15467405 Construct density (9.95487s) stopped
T01 >> 1462365875.15624499 Symmetrize density (0.00242s) started
T01 << 1462365875.15627789 Symmetrize density (0.00245s) stopped
T01 << 1462365875.50249696 Density initialize from wavefunctions (68.56101s) stopped
T01 >> 1462365875.50316000 Hamiltonian (1572.89222s) started
T01 >> 1462365875.50320792 vbar (0.82463s) started
T01 << 1462365875.51625490 vbar (0.83768s) stopped
T01 >> 1462365875.51636100 XC 3D grid (577.37658s) started
T01 >> 1462365875.69680595 van der Waals (557.36014s) started
T01 >> 1462365875.73880911 semilocal (124.20327s) started
T01 << 1462365877.96035099 semilocal (126.42481s) stopped
T01 >> 1462365877.99163294 redistribute (59.11288s) started
T01 << 1462365878.38993812 redistribute (59.51119s) stopped
T01 >> 1462365878.38998795 libvdwxc nonlocal (369.82058s) started
T01 << 1462365885.09797812 libvdwxc nonlocal (376.52857s) stopped
T01 >> 1462365885.09804201 redistribute (59.51122s) started
T01 << 1462365885.73955607 redistribute (60.15274s) stopped
T01 << 1462365885.74075699 van der Waals (567.40410s) stopped
T01 << 1462365885.92416096 XC 3D grid (587.78438s) stopped
T01 >> 1462365885.92421103 Poisson (262.42599s) started
T01 << 1462365890.04240394 Poisson (266.54418s) stopped
T01 >> 1462365890.04247999 Hartree integrate/restrict (4.55331s) started
T01 << 1462365890.06139398 Hartree integrate/restrict (4.57223s) stopped
T01 >> 1462365890.06149101 Hartree integrate/restrict (4.57230s) started
T01 << 1462365890.12430501 Hartree integrate/restrict (4.63511s) stopped
T01 >> 1462365890.14666510 Atomic (369.91647s) started
T01 >> 1462365890.15711999 XC Correction (369.16679s) started
T01 << 1462365896.66832995 XC Correction (375.67800s) stopped
T01 << 1462365896.67136598 Atomic (376.44117s) stopped
T01 >> 1462365896.67157507 Communicate (356.60223s) started
T01 << 1462365903.14458609 Communicate (363.07524s) stopped
T01 << 1462365903.14460897 Hamiltonian (1600.53367s) stopped
T01 << 1462365903.14466310 LCAO WFS Initialize (1669.32321s) stopped
T01 << 1462365903.15679097 Initialization (2863.34462s) stopped
T01 >> 1462365903.18186688 SCF-cycle (28065.56648s) started
T01 >> 1462365903.18190598 LCAO eigensolver (6999.23003s) started
T01 >> 1462365903.18191791 Potential matrix (228.58531s) started
T01 << 1462365903.45978594 Potential matrix (228.86318s) stopped
T01 >> 1462365903.45986390 DistributedAtomicCorrection (1170.67120s) started
T01 << 1462365904.86348104 DistributedAtomicCorrection (1172.07482s) stopped
T01 >> 1462365904.86356091 Distribute overlap matrix (1025.24344s) started
T01 >> 1462365904.86358404 blocked summation (972.65736s) started
T01 << 1462365906.00524092 blocked summation (973.79901s) stopped
T01 >> 1462365906.00665092 Scalapack redistribute (51.15913s) started
T01 << 1462365906.06690311 Scalapack redistribute (51.21938s) stopped
T01 << 1462365906.06698489 Distribute overlap matrix (1026.44687s) stopped
T01 >> 1462365906.06755090 Blacs Orbital Layouts (2401.27819s) started
T01 >> 1462365906.06873798 General diagonalize (2352.66623s) started
T01 << 1462365908.78538609 General diagonalize (2355.38288s) stopped
T01 >> 1462365908.78543591 Redistribute coefs (2.70048s) started
T01 << 1462365908.78833890 Redistribute coefs (2.70338s) stopped
T01 >> 1462365908.78838205 Send coefs to domains (44.47851s) started
T01 << 1462365908.84139395 Send coefs to domains (44.53152s) stopped
T01 << 1462365908.84144998 Blacs Orbital Layouts (2404.05209s) stopped
T01 >> 1462365908.84147906 Calculate projections (2172.69411s) started
T01 << 1462365911.29889011 Calculate projections (2175.15152s) stopped
T01 << 1462365911.29896998 LCAO eigensolver (7007.34709s) stopped
T01 >> 1462365911.29961896 Density (1726.07706s) started
T01 >> 1462365911.29963207 Pseudo density (1429.40584s) started
T01 >> 1462365911.30014205 Calculate density matrix (1283.67259s) started
T01 << 1462365912.90513611 Calculate density matrix (1285.27758s) stopped
T01 >> 1462365912.90520310 Construct density (143.64128s) started
T01 << 1462365913.10268307 Construct density (143.83876s) stopped
T01 >> 1462365913.10409093 Symmetrize density (0.03601s) started
T01 << 1462365913.10412502 Symmetrize density (0.03604s) stopped
T01 << 1462365913.10457897 Pseudo density (1431.21078s) stopped
T01 >> 1462365913.10459900 Atomic density matrices (196.92269s) started
T01 << 1462365913.33666396 Atomic density matrices (197.15476s) stopped
T01 >> 1462365913.33670592 Multipole moments (3.25333s) started
T01 << 1462365913.34082198 Multipole moments (3.25745s) stopped
T01 >> 1462365913.34084511 Normalize (0.89057s) started
T01 << 1462365913.34202790 Normalize (0.89175s) stopped
T01 >> 1462365913.34206390 Mix (95.54879s) started
T01 << 1462365913.44930911 Mix (95.65604s) stopped
T01 << 1462365913.44948912 Density (1728.22693s) stopped
T01 >> 1462365913.44959998 Hamiltonian (19339.52723s) started
T01 >> 1462365913.44961905 vbar (11.72348s) started
T01 << 1462365913.46293998 vbar (11.73680s) stopped
T01 >> 1462365913.46303296 XC 3D grid (8385.99443s) started
T01 >> 1462365913.64246202 van der Waals (8096.20348s) started
T01 >> 1462365913.68427801 semilocal (1813.25126s) started
T01 << 1462365915.90380096 semilocal (1815.47078s) stopped
T01 >> 1462365915.93469691 redistribute (870.05447s) started
T01 << 1462365916.33160591 redistribute (870.45138s) stopped
T01 >> 1462365916.33167505 libvdwxc nonlocal (5351.54521s) started
T01 << 1462365923.02429295 libvdwxc nonlocal (5358.23782s) stopped
T01 >> 1462365923.02438092 redistribute (870.45142s) started
T01 << 1462365923.67590094 redistribute (871.10294s) stopped
T01 << 1462365923.67698503 van der Waals (8106.23800s) stopped
T01 << 1462365923.85943294 XC 3D grid (8396.39083s) stopped
T01 >> 1462365923.85949492 Poisson (1674.77199s) started
T01 << 1462365925.64149404 Poisson (1676.55399s) stopped
T01 >> 1462365925.64161396 Hartree integrate/restrict (66.60383s) started
T01 << 1462365925.66045403 Hartree integrate/restrict (66.62267s) stopped
T01 >> 1462365925.66056108 Hartree integrate/restrict (66.62275s) started
T01 << 1462365925.72788596 Hartree integrate/restrict (66.69007s) stopped
T01 >> 1462365925.74635410 Atomic (5144.80569s) started
T01 >> 1462365925.75626802 XC Correction (5134.15190s) started
T01 << 1462365932.25439191 XC Correction (5140.65002s) stopped
T01 << 1462365932.25736809 Atomic (5151.31670s) stopped
T01 >> 1462365932.25746799 Communicate (4038.56529s) started
T01 << 1462365938.59102702 Communicate (4044.89885s) stopped
T01 << 1462365938.59105110 Hamiltonian (19364.66868s) stopped
T01 >> 1462365938.59111500 LCAO eigensolver (7007.34710s) started
T01 >> 1462365938.59112811 Potential matrix (228.86322s) started
T01 << 1462365938.86924195 Potential matrix (229.14133s) stopped
T01 >> 1462365938.86931801 DistributedAtomicCorrection (1172.07486s) started
T01 << 1462365940.26979804 DistributedAtomicCorrection (1173.47534s) stopped
T01 >> 1462365940.26987696 Distribute overlap matrix (1026.44688s) started
T01 >> 1462365940.26990008 blocked summation (973.79905s) started
T01 << 1462365941.40428805 blocked summation (974.93344s) stopped
T01 >> 1462365941.40568900 Scalapack redistribute (51.21941s) started
T01 << 1462365941.46465898 Scalapack redistribute (51.27838s) stopped
T01 << 1462365941.46473598 Distribute overlap matrix (1027.64174s) stopped
T01 >> 1462365941.46529794 Blacs Orbital Layouts (2404.05210s) started
T01 >> 1462365941.46648598 General diagonalize (2355.38292s) started
T01 << 1462365944.17402911 General diagonalize (2358.09046s) stopped
T01 >> 1462365944.17409492 Redistribute coefs (2.70341s) started
T01 << 1462365944.17694998 Redistribute coefs (2.70627s) stopped
T01 >> 1462365944.17703199 Send coefs to domains (44.53157s) started
T01 << 1462365944.23005700 Send coefs to domains (44.58459s) stopped
T01 << 1462365944.23010802 Blacs Orbital Layouts (2406.81691s) stopped
T01 >> 1462365944.23016500 Calculate projections (2175.15158s) started
T01 << 1462365946.68793106 Calculate projections (2177.60934s) stopped
T01 << 1462365946.68801188 LCAO eigensolver (7015.44400s) stopped
T01 >> 1462365946.68867397 Density (1728.22695s) started
T01 >> 1462365946.68868804 Pseudo density (1431.21080s) started
T01 >> 1462365946.68920588 Calculate density matrix (1285.27762s) started
T01 << 1462365948.29519296 Calculate density matrix (1286.88361s) stopped
T01 >> 1462365948.29525900 Construct density (143.83880s) started
T01 << 1462365948.49276400 Construct density (144.03630s) stopped
T01 >> 1462365948.49416995 Symmetrize density (0.03606s) started
T01 << 1462365948.49420500 Symmetrize density (0.03609s) stopped
T01 << 1462365948.49465990 Pseudo density (1433.01677s) stopped
T01 >> 1462365948.49467993 Atomic density matrices (197.15479s) started
T01 << 1462365948.72687602 Atomic density matrices (197.38698s) stopped
T01 >> 1462365948.72691798 Multipole moments (3.25746s) started
T01 << 1462365948.73103690 Multipole moments (3.26158s) stopped
T01 >> 1462365948.73105907 Normalize (0.89178s) started
T01 << 1462365948.73222709 Normalize (0.89295s) stopped
T01 >> 1462365948.73226190 Mix (95.65621s) started
T01 << 1462365948.84362006 Mix (95.76757s) stopped
T01 << 1462365948.84373999 Density (1730.38201s) stopped
T01 >> 1462365948.84386802 Hamiltonian (19364.66870s) started
T01 >> 1462365948.84388804 vbar (11.73686s) started
T01 << 1462365948.85722208 vbar (11.75019s) stopped
T01 >> 1462365948.85731292 XC 3D grid (8396.39088s) started
T01 >> 1462365949.03080893 van der Waals (8106.23805s) started
T01 >> 1462365949.07336712 semilocal (1815.47090s) started
T01 << 1462365951.29410291 semilocal (1817.69163s) stopped
T01 >> 1462365951.32472110 redistribute (871.10300s) started
T01 << 1462365951.71866798 redistribute (871.49695s) stopped
T01 >> 1462365951.71873498 libvdwxc nonlocal (5358.23789s) started
T01 << 1462365958.44174790 libvdwxc nonlocal (5364.96090s) stopped
T01 >> 1462365958.44180703 redistribute (871.49699s) started
T01 << 1462365959.09904194 redistribute (872.15422s) stopped
T01 << 1462365959.10007310 van der Waals (8116.30732s) stopped
T01 << 1462365959.28130293 XC 3D grid (8406.81487s) stopped
T01 >> 1462365959.28135395 Poisson (1676.55408s) started
T01 << 1462365961.08652902 Poisson (1678.35926s) stopped
T01 >> 1462365961.08661604 Hartree integrate/restrict (66.69011s) started
T01 << 1462365961.10601401 Hartree integrate/restrict (66.70950s) stopped
T01 >> 1462365961.10607791 Hartree integrate/restrict (66.70955s) started
T01 << 1462365961.16766310 Hartree integrate/restrict (66.77113s) stopped
T01 >> 1462365961.18533397 Atomic (5151.31672s) started
T01 >> 1462365961.19521904 XC Correction (5140.65005s) started
T01 << 1462365967.32419896 XC Correction (5146.77903s) stopped
T01 << 1462365967.32719588 Atomic (5157.45858s) stopped
T01 >> 1462365967.32729793 Communicate (4044.89887s) started
T01 << 1462365973.35158610 Communicate (4050.92315s) stopped
T01 << 1462365973.35160995 Hamiltonian (19389.17644s) stopped
T01 >> 1462365973.35167789 LCAO eigensolver (7015.44401s) started
T01 >> 1462365973.35169101 Potential matrix (229.14137s) started
T01 << 1462365973.62860608 Potential matrix (229.41829s) stopped
T01 >> 1462365973.62868500 DistributedAtomicCorrection (1173.47538s) started
T01 << 1462365975.02922106 DistributedAtomicCorrection (1174.87591s) stopped
T01 >> 1462365975.02929997 Distribute overlap matrix (1027.64175s) started
T01 >> 1462365975.02932191 blocked summation (974.93348s) started
T01 << 1462365976.17236805 blocked summation (976.07653s) stopped
T01 >> 1462365976.17380309 Scalapack redistribute (51.27842s) started
T01 << 1462365976.23476911 Scalapack redistribute (51.33938s) stopped
T01 << 1462365976.23484898 Distribute overlap matrix (1028.84730s) stopped
T01 >> 1462365976.23543501 Blacs Orbital Layouts (2406.81693s) started
T01 >> 1462365976.23663306 General diagonalize (2358.09050s) started
T01 << 1462365978.97167706 General diagonalize (2360.82554s) stopped
T01 >> 1462365978.97174406 Redistribute coefs (2.70630s) started
T01 << 1462365978.97474289 Redistribute coefs (2.70930s) stopped
T01 >> 1462365978.97482491 Send coefs to domains (44.58463s) started
T01 << 1462365979.03192091 Send coefs to domains (44.64173s) stopped
T01 << 1462365979.03198004 Blacs Orbital Layouts (2409.61347s) stopped
T01 >> 1462365979.03203297 Calculate projections (2177.60940s) started
T01 << 1462365981.49150991 Calculate projections (2180.06887s) stopped
T01 << 1462365981.49159002 LCAO eigensolver (7023.58393s) stopped
T01 >> 1462365981.49230409 Density (1730.38203s) started
T01 >> 1462365981.49231696 Pseudo density (1433.01678s) started
T01 >> 1462365981.49283504 Calculate density matrix (1286.88366s) started
T01 << 1462365983.09574008 Calculate density matrix (1288.48656s) stopped
T01 >> 1462365983.09582400 Construct density (144.03634s) started
T01 << 1462365983.29329896 Construct density (144.23381s) stopped
T01 >> 1462365983.29472709 Symmetrize density (0.03610s) started
T01 << 1462365983.29479003 Symmetrize density (0.03616s) stopped
T01 << 1462365983.29523802 Pseudo density (1434.81971s) stopped
T01 >> 1462365983.29525805 Atomic density matrices (197.38701s) started
T01 << 1462365983.52718306 Atomic density matrices (197.61894s) stopped
T01 >> 1462365983.52722502 Multipole moments (3.26159s) started
T01 << 1462365983.53133798 Multipole moments (3.26571s) stopped
T01 >> 1462365983.53135991 Normalize (0.89297s) started
T01 << 1462365983.53251696 Normalize (0.89413s) stopped
T01 >> 1462365983.53255105 Mix (95.76768s) started
T01 << 1462365983.64860511 Mix (95.88374s) stopped
T01 << 1462365983.64869690 Density (1732.53843s) stopped
T01 >> 1462365983.64880800 Hamiltonian (19389.17645s) started
T01 >> 1462365983.64882803 vbar (11.75025s) started
T01 << 1462365983.66305399 vbar (11.76447s) stopped
T01 >> 1462365983.66314697 XC 3D grid (8406.81491s) started
T01 >> 1462365983.84126902 van der Waals (8116.30736s) started
T01 >> 1462365983.88302398 semilocal (1817.69173s) started
T01 << 1462365986.10463595 semilocal (1819.91334s) stopped
T01 >> 1462365986.13557601 redistribute (872.15427s) started
T01 << 1462365986.53751802 redistribute (872.55621s) stopped
T01 >> 1462365986.53758407 libvdwxc nonlocal (5364.96094s) started
T01 << 1462365993.23878098 libvdwxc nonlocal (5371.66213s) stopped
T01 >> 1462365993.23884106 redistribute (872.55625s) started
T01 << 1462365993.89398408 redistribute (873.21139s) stopped
T01 << 1462365993.89529490 van der Waals (8126.36139s) stopped
T01 << 1462365994.07359910 XC 3D grid (8417.22536s) stopped
T01 >> 1462365994.07364893 Poisson (1678.35933s) started
T01 << 1462365996.46488094 Poisson (1680.75056s) stopped
T01 >> 1462365996.46497202 Hartree integrate/restrict (66.77117s) started
T01 << 1462365996.48401690 Hartree integrate/restrict (66.79021s) stopped
T01 >> 1462365996.48410606 Hartree integrate/restrict (66.79027s) started
T01 << 1462365996.55060196 Hartree integrate/restrict (66.85676s) stopped
T01 >> 1462365996.56466603 Atomic (5157.45860s) started
T01 >> 1462365996.57456803 XC Correction (5146.77905s) started
T01 << 1462366002.73612309 XC Correction (5152.94061s) stopped
T01 << 1462366002.73910499 Atomic (5163.63304s) stopped
T01 >> 1462366002.73920488 Communicate (4050.92317s) started
T01 << 1462366008.14331794 Communicate (4056.32728s) stopped
T01 << 1462366008.14334106 Hamiltonian (19413.67098s) stopped
T01 >> 1462366008.14340806 LCAO eigensolver (7023.58394s) started
T01 >> 1462366008.14342093 Potential matrix (229.41833s) started
T01 << 1462366008.42073011 Potential matrix (229.69564s) stopped
T01 >> 1462366008.42080498 DistributedAtomicCorrection (1174.87595s) started
T01 << 1462366009.82134700 DistributedAtomicCorrection (1176.27649s) stopped
T01 >> 1462366009.82142496 Distribute overlap matrix (1028.84731s) started
T01 >> 1462366009.82144809 blocked summation (976.07656s) started
T01 << 1462366010.97098708 blocked summation (977.22610s) stopped
T01 >> 1462366010.97242093 Scalapack redistribute (51.33942s) started
T01 << 1462366011.03365397 Scalapack redistribute (51.40065s) stopped
T01 << 1462366011.03373504 Distribute overlap matrix (1030.05962s) stopped
T01 >> 1462366011.03434896 Blacs Orbital Layouts (2409.61348s) started
T01 >> 1462366011.03650093 General diagonalize (2360.82558s) started
T01 << 1462366013.77286410 General diagonalize (2363.56195s) stopped
T01 >> 1462366013.77292895 Redistribute coefs (2.70934s) started
T01 << 1462366013.77607012 Redistribute coefs (2.71248s) stopped
T01 >> 1462366013.77611709 Send coefs to domains (44.64177s) started
T01 << 1462366013.83291793 Send coefs to domains (44.69858s) stopped
T01 << 1462366013.83351707 Blacs Orbital Layouts (2412.41265s) stopped
T01 >> 1462366013.83357096 Calculate projections (2180.06893s) started
T01 << 1462366016.29308605 Calculate projections (2182.52844s) stopped
T01 << 1462366016.29316401 LCAO eigensolver (7031.73370s) stopped
T01 >> 1462366016.29392290 Density (1732.53845s) started
T01 >> 1462366016.29393601 Pseudo density (1434.81972s) started
T01 >> 1462366016.29446411 Calculate density matrix (1288.48660s) started
T01 << 1462366017.90883708 Calculate density matrix (1290.10098s) stopped
T01 >> 1462366017.90892196 Construct density (144.23385s) started
T01 << 1462366018.10646105 Construct density (144.43139s) stopped
T01 >> 1462366018.10786009 Symmetrize density (0.03618s) started
T01 << 1462366018.10789299 Symmetrize density (0.03621s) stopped
T01 << 1462366018.10833907 Pseudo density (1436.63412s) stopped
T01 >> 1462366018.10835791 Atomic density matrices (197.61897s) started
T01 << 1462366018.34038806 Atomic density matrices (197.85100s) stopped
T01 >> 1462366018.34043097 Multipole moments (3.26572s) started
T01 << 1462366018.34455299 Multipole moments (3.26984s) stopped
T01 >> 1462366018.34457493 Normalize (0.89415s) started
T01 << 1462366018.34574699 Normalize (0.89533s) stopped
T01 >> 1462366018.34577894 Mix (95.88383s) started
T01 << 1462366018.46347189 Mix (96.00152s) stopped
T01 << 1462366018.46356606 Density (1734.70809s) stopped
T01 >> 1462366018.46367407 Hamiltonian (19413.67100s) started
T01 >> 1462366018.46369600 vbar (11.76453s) started
T01 << 1462366018.47801590 vbar (11.77885s) stopped
T01 >> 1462366018.47811198 XC 3D grid (8417.22540s) started
T01 >> 1462366018.65478396 van der Waals (8126.36142s) started
T01 >> 1462366018.69729090 semilocal (1819.91347s) started
T01 << 1462366020.91669512 semilocal (1822.13287s) stopped
T01 >> 1462366020.94689107 redistribute (873.21143s) started
T01 << 1462366021.33823299 redistribute (873.60277s) stopped
T01 >> 1462366021.33830094 libvdwxc nonlocal (5371.66217s) started
T01 << 1462366028.01810002 libvdwxc nonlocal (5378.34197s) stopped
T01 >> 1462366028.01816106 redistribute (873.60281s) started
T01 << 1462366028.67882895 redistribute (874.26348s) stopped
T01 << 1462366028.68012810 van der Waals (8136.38677s) stopped
T01 << 1462366028.86006808 XC 3D grid (8427.60736s) stopped
T01 >> 1462366028.86012697 Poisson (1680.75063s) started
T01 << 1462366031.23761892 Poisson (1683.12812s) stopped
T01 >> 1462366031.23769498 Hartree integrate/restrict (66.85682s) started
T01 << 1462366031.25646901 Hartree integrate/restrict (66.87559s) stopped
T01 >> 1462366031.25658202 Hartree integrate/restrict (66.87567s) started
T01 << 1462366031.32370591 Hartree integrate/restrict (66.94280s) stopped
T01 >> 1462366031.34129310 Atomic (5163.63305s) started
T01 >> 1462366031.35118103 XC Correction (5152.94063s) started
T01 << 1462366037.53576708 XC Correction (5159.12522s) stopped
T01 << 1462366037.53876591 Atomic (5169.83053s) stopped
T01 >> 1462366037.53886795 Communicate (4056.32730s) started
T01 << 1462366042.52567101 Communicate (4061.31410s) stopped
T01 << 1462366042.52569509 Hamiltonian (19437.73302s) stopped
T01 >> 1462366042.52576208 LCAO eigensolver (7031.73371s) started
T01 >> 1462366042.52577496 Potential matrix (229.69568s) started
T01 << 1462366042.80456805 Potential matrix (229.97448s) stopped
T01 >> 1462366042.80464697 DistributedAtomicCorrection (1176.27654s) started
T01 << 1462366044.20348597 DistributedAtomicCorrection (1177.67537s) stopped
T01 >> 1462366044.20356393 Distribute overlap matrix (1030.05963s) started
T01 >> 1462366044.20358801 blocked summation (977.22614s) started
T01 << 1462366045.32808805 blocked summation (978.35064s) stopped
T01 >> 1462366045.32962203 Scalapack redistribute (51.40069s) started
T01 << 1462366045.39082694 Scalapack redistribute (51.46189s) stopped
T01 << 1462366045.39090705 Distribute overlap matrix (1031.24698s) stopped
T01 >> 1462366045.39151096 Blacs Orbital Layouts (2412.41267s) started
T01 >> 1462366045.39338112 General diagonalize (2363.56199s) started
T01 << 1462366048.11165094 General diagonalize (2366.28026s) stopped
T01 >> 1462366048.11171699 Redistribute coefs (2.71251s) started
T01 << 1462366048.11500907 Redistribute coefs (2.71581s) stopped
T01 >> 1462366048.11505389 Send coefs to domains (44.69862s) started
T01 << 1462366048.17272210 Send coefs to domains (44.75629s) stopped
T01 << 1462366048.17331600 Blacs Orbital Layouts (2415.19447s) stopped
T01 >> 1462366048.17337108 Calculate projections (2182.52849s) started
T01 << 1462366050.63289499 Calculate projections (2184.98802s) stopped
T01 << 1462366050.63316607 LCAO eigensolver (7039.84111s) stopped
T01 >> 1462366050.63388491 Density (1734.70811s) started
T01 >> 1462366050.63389802 Pseudo density (1436.63414s) started
T01 >> 1462366050.63441896 Calculate density matrix (1290.10102s) started
T01 << 1462366052.25024009 Calculate density matrix (1291.71684s) stopped
T01 >> 1462366052.25032496 Construct density (144.43142s) started
T01 << 1462366052.44789004 Construct density (144.62899s) stopped
T01 >> 1462366052.45021701 Symmetrize density (0.03622s) started
T01 << 1462366052.45024991 Symmetrize density (0.03625s) stopped
T01 << 1462366052.45071006 Pseudo density (1438.45095s) stopped
T01 >> 1462366052.45073009 Atomic density matrices (197.85102s) started
T01 << 1462366052.68202806 Atomic density matrices (198.08232s) stopped
T01 >> 1462366052.68206906 Multipole moments (3.26986s) started
T01 << 1462366052.68606806 Multipole moments (3.27386s) stopped
T01 >> 1462366052.68608999 Normalize (0.89535s) started
T01 << 1462366052.68724704 Normalize (0.89651s) stopped
T01 >> 1462366052.68728209 Mix (96.00161s) started
T01 << 1462366052.80872107 Mix (96.12305s) stopped
T01 << 1462366052.80881190 Density (1736.88303s) stopped
T01 >> 1462366052.80892897 Hamiltonian (19437.73303s) started
T01 >> 1462366052.80894709 vbar (11.77890s) started
T01 << 1462366052.82367492 vbar (11.79363s) stopped
T01 >> 1462366052.82375193 XC 3D grid (8427.60740s) started
T01 >> 1462366053.00233698 van der Waals (8136.38688s) started
T01 >> 1462366053.04390812 semilocal (1822.13298s) started
T01 << 1462366055.27515888 semilocal (1824.36423s) stopped
T01 >> 1462366055.30555391 redistribute (874.26357s) started
T01 << 1462366055.70247507 redistribute (874.66050s) stopped
T01 >> 1462366055.70254111 libvdwxc nonlocal (5378.34201s) started
T01 << 1462366062.38909507 libvdwxc nonlocal (5385.02857s) stopped
T01 >> 1462366062.38916898 redistribute (874.66053s) started
T01 << 1462366063.05671692 redistribute (875.32808s) stopped
T01 << 1462366063.05787110 van der Waals (8146.44241s) stopped
T01 << 1462366063.23325706 XC 3D grid (8438.01691s) stopped
T01 >> 1462366063.23330903 Poisson (1683.12818s) started
T01 << 1462366065.61658406 Poisson (1685.51146s) stopped
T01 >> 1462366065.61667609 Hartree integrate/restrict (66.94285s) started
T01 << 1462366065.63578010 Hartree integrate/restrict (66.96195s) stopped
T01 >> 1462366065.63585091 Hartree integrate/restrict (66.96200s) started
T01 << 1462366065.70390892 Hartree integrate/restrict (67.03006s) stopped
T01 >> 1462366065.71671796 Atomic (5169.83054s) started
T01 >> 1462366065.72679496 XC Correction (5159.12524s) started
T01 << 1462366071.99463797 XC Correction (5165.39308s) stopped
T01 << 1462366071.99766111 Atomic (5176.11149s) stopped
T01 >> 1462366071.99776411 Communicate (4061.31412s) started
T01 << 1462366076.86961603 Communicate (4066.18597s) stopped
T01 << 1462366076.86963892 Hamiltonian (19461.79374s) stopped
T01 >> 1462366076.86970901 LCAO eigensolver (7039.84113s) started
T01 >> 1462366076.86972189 Potential matrix (229.97452s) started
T01 << 1462366077.14635801 Potential matrix (230.25115s) stopped
T01 >> 1462366077.14643502 DistributedAtomicCorrection (1177.67541s) started
T01 << 1462366078.55542207 DistributedAtomicCorrection (1179.08440s) stopped
T01 >> 1462366078.55549908 Distribute overlap matrix (1031.24699s) started
T01 >> 1462366078.55552197 blocked summation (978.35068s) started
T01 << 1462366079.67940998 blocked summation (979.47457s) stopped
T01 >> 1462366079.68127608 Scalapack redistribute (51.46193s) started
T01 << 1462366079.74173808 Scalapack redistribute (51.52239s) stopped
T01 << 1462366079.74183202 Distribute overlap matrix (1032.43332s) stopped
T01 >> 1462366079.74243307 Blacs Orbital Layouts (2415.19449s) started
T01 >> 1462366079.74359298 General diagonalize (2366.28030s) started
T01 << 1462366082.44512010 General diagonalize (2368.98182s) stopped
T01 >> 1462366082.44518399 Redistribute coefs (2.71584s) started
T01 << 1462366082.44916511 Redistribute coefs (2.71982s) stopped
T01 >> 1462366082.44921088 Send coefs to domains (44.75633s) started
T01 << 1462366082.50433707 Send coefs to domains (44.81145s) stopped
T01 << 1462366082.50461292 Blacs Orbital Layouts (2417.95667s) stopped
T01 >> 1462366082.50467205 Calculate projections (2184.98807s) started
T01 << 1462366084.96451807 Calculate projections (2187.44792s) stopped
T01 << 1462366084.96479702 LCAO eigensolver (7047.93622s) stopped
T01 >> 1462366084.96550608 Density (1736.88305s) started
T01 >> 1462366084.96551895 Pseudo density (1438.45096s) started
T01 >> 1462366084.96603298 Calculate density matrix (1291.71688s) started
T01 << 1462366086.57577491 Calculate density matrix (1293.32662s) stopped
T01 >> 1462366086.57586789 Construct density (144.62902s) started
T01 << 1462366086.77367592 Construct density (144.82683s) stopped
T01 >> 1462366086.77600908 Symmetrize density (0.03627s) started
T01 << 1462366086.77604294 Symmetrize density (0.03630s) stopped
T01 << 1462366086.77649307 Pseudo density (1440.26194s) stopped
T01 >> 1462366086.77651191 Atomic density matrices (198.08235s) started
T01 << 1462366087.00706792 Atomic density matrices (198.31291s) stopped
T01 >> 1462366087.00711012 Multipole moments (3.27387s) started
T01 << 1462366087.01119900 Multipole moments (3.27796s) stopped
T01 >> 1462366087.01122093 Normalize (0.89653s) started
T01 << 1462366087.01238799 Normalize (0.89770s) stopped
T01 >> 1462366087.01242089 Mix (96.12313s) started
T01 << 1462366087.13341689 Mix (96.24413s) stopped
T01 << 1462366087.13350701 Density (1739.05105s) stopped
T01 >> 1462366087.13363409 Hamiltonian (19461.79376s) started
T01 >> 1462366087.13366008 vbar (11.79368s) started
T01 << 1462366087.14850903 vbar (11.80852s) stopped
T01 >> 1462366087.14859796 XC 3D grid (8438.01694s) started
T01 >> 1462366087.32512903 van der Waals (8146.44245s) started
T01 >> 1462366087.36762094 semilocal (1824.36433s) started
T01 << 1462366089.59348202 semilocal (1826.59019s) stopped
T01 >> 1462366089.62378693 redistribute (875.32819s) started
T01 << 1462366090.03396606 redistribute (875.73837s) stopped
T01 >> 1462366090.03403091 libvdwxc nonlocal (5385.02862s) started
T01 << 1462366096.72170210 libvdwxc nonlocal (5391.71629s) stopped
T01 >> 1462366096.72176003 redistribute (875.73841s) started
T01 << 1462366097.38338399 redistribute (876.40003s) stopped
T01 << 1462366097.38455892 van der Waals (8156.50188s) stopped
T01 << 1462366097.56196308 XC 3D grid (8448.43031s) stopped
T01 >> 1462366097.56201291 Poisson (1685.51153s) started
T01 << 1462366099.94444704 Poisson (1687.89396s) stopped
T01 >> 1462366099.94452310 Hartree integrate/restrict (67.03010s) started
T01 << 1462366099.96350098 Hartree integrate/restrict (67.04907s) stopped
T01 >> 1462366099.96355796 Hartree integrate/restrict (67.04911s) started
T01 << 1462366100.02683401 Hartree integrate/restrict (67.11239s) stopped
T01 >> 1462366100.04978299 Atomic (5176.11150s) started
T01 >> 1462366100.06001806 XC Correction (5165.39311s) started
T01 << 1462366106.35773611 XC Correction (5171.69083s) stopped
T01 << 1462366106.36075807 Atomic (5182.42248s) stopped
T01 >> 1462366106.36085892 Communicate (4066.18599s) started
T01 << 1462366111.27042794 Communicate (4071.09556s) stopped
T01 << 1462366111.27045107 Hamiltonian (19485.93057s) stopped
T01 >> 1462366111.27051497 LCAO eigensolver (7047.93624s) started
T01 >> 1462366111.27052808 Potential matrix (230.25120s) started
T01 << 1462366111.54750204 Potential matrix (230.52817s) stopped
T01 >> 1462366111.54757595 DistributedAtomicCorrection (1179.08444s) started
T01 << 1462366112.95204091 DistributedAtomicCorrection (1180.48890s) stopped
T01 >> 1462366112.95211911 Distribute overlap matrix (1032.43334s) started
T01 >> 1462366112.95214200 blocked summation (979.47461s) started
T01 << 1462366114.07044005 blocked summation (980.59291s) stopped
T01 >> 1462366114.07213593 Scalapack redistribute (51.52243s) started
T01 << 1462366114.13080192 Scalapack redistribute (51.58110s) stopped
T01 << 1462366114.13089895 Distribute overlap matrix (1033.61212s) stopped
T01 >> 1462366114.13153505 Blacs Orbital Layouts (2417.95669s) started
T01 >> 1462366114.13269401 General diagonalize (2368.98186s) started
T01 << 1462366116.87088394 General diagonalize (2371.72005s) stopped
T01 >> 1462366116.87095094 Redistribute coefs (2.71986s) started
T01 << 1462366116.87480998 Redistribute coefs (2.72372s) stopped
T01 >> 1462366116.87485695 Send coefs to domains (44.81150s) started
T01 << 1462366116.93004107 Send coefs to domains (44.86668s) stopped
T01 << 1462366116.93033504 Blacs Orbital Layouts (2420.75549s) stopped
T01 >> 1462366116.93039107 Calculate projections (2187.44797s) started
T01 << 1462366119.38987494 Calculate projections (2189.90746s) stopped
T01 << 1462366119.39015198 LCAO eigensolver (7056.05587s) stopped
T01 >> 1462366119.39088511 Density (1739.05107s) started
T01 >> 1462366119.39089799 Pseudo density (1440.26195s) started
T01 >> 1462366119.39141202 Calculate density matrix (1293.32667s) started
T01 << 1462366121.00087094 Calculate density matrix (1294.93613s) stopped
T01 >> 1462366121.00095797 Construct density (144.82687s) started
T01 << 1462366121.19865894 Construct density (145.02457s) stopped
T01 >> 1462366121.20097995 Symmetrize density (0.03631s) started
T01 << 1462366121.20101309 Symmetrize density (0.03634s) stopped
T01 << 1462366121.20146298 Pseudo density (1442.07252s) stopped
T01 >> 1462366121.20148301 Atomic density matrices (198.31293s) started
T01 << 1462366121.43217492 Atomic density matrices (198.54363s) stopped
T01 >> 1462366121.43221498 Multipole moments (3.27798s) started
T01 << 1462366121.43627810 Multipole moments (3.28204s) stopped
T01 >> 1462366121.43630004 Normalize (0.89772s) started
T01 << 1462366121.43746090 Normalize (0.89888s) stopped
T01 >> 1462366121.43749499 Mix (96.24422s) started
T01 << 1462366121.55954790 Mix (96.36627s) stopped
T01 << 1462366121.55963802 Density (1741.21982s) stopped
T01 >> 1462366121.55975389 Hamiltonian (19485.93059s) started
T01 >> 1462366121.55977511 vbar (11.80858s) started
T01 << 1462366121.57444501 vbar (11.82325s) stopped
T01 >> 1462366121.57453704 XC 3D grid (8448.43035s) started
T01 >> 1462366121.75461888 van der Waals (8156.50197s) started
T01 >> 1462366121.79583311 semilocal (1826.59024s) started
T01 << 1462366124.01381612 semilocal (1828.80823s) stopped
T01 >> 1462366124.04399300 redistribute (876.40015s) started
T01 << 1462366124.45443702 redistribute (876.81060s) stopped
T01 >> 1462366124.45450306 libvdwxc nonlocal (5391.71633s) started
T01 << 1462366131.15106010 libvdwxc nonlocal (5398.41288s) stopped
T01 >> 1462366131.15111899 redistribute (876.81064s) started
T01 << 1462366131.81536603 redistribute (877.47488s) stopped
T01 << 1462366131.81682706 van der Waals (8166.56418s) stopped
T01 << 1462366131.98703694 XC 3D grid (8458.84285s) stopped
T01 >> 1462366131.98710203 Poisson (1687.89402s) started
T01 << 1462366133.77773404 Poisson (1689.68465s) stopped
T01 >> 1462366133.77784300 Hartree integrate/restrict (67.11242s) started
T01 << 1462366133.79669809 Hartree integrate/restrict (67.13128s) stopped
T01 >> 1462366133.79681897 Hartree integrate/restrict (67.13137s) started
T01 << 1462366133.85958409 Hartree integrate/restrict (67.19413s) stopped
T01 >> 1462366133.88385201 Atomic (5182.42249s) started
T01 >> 1462366133.89402509 XC Correction (5171.69085s) started
T01 << 1462366140.12753510 XC Correction (5177.92436s) stopped
T01 << 1462366140.13055611 Atomic (5188.66920s) stopped
T01 >> 1462366140.13066196 Communicate (4071.09557s) started
T01 << 1462366145.02377009 Communicate (4075.98868s) stopped
T01 << 1462366145.02379394 Hamiltonian (19509.39463s) stopped
T01 >> 1462366145.02385998 LCAO eigensolver (7056.05589s) started
T01 >> 1462366145.02387309 Potential matrix (230.52821s) started
T01 << 1462366145.30066895 Potential matrix (230.80501s) stopped
T01 >> 1462366145.30074501 DistributedAtomicCorrection (1180.48894s) started
T01 << 1462366146.69919491 DistributedAtomicCorrection (1181.88739s) stopped
T01 >> 1462366146.69927192 Distribute overlap matrix (1033.61216s) started
T01 >> 1462366146.69929409 blocked summation (980.59295s) started
T01 << 1462366147.83739305 blocked summation (981.73105s) stopped
T01 >> 1462366147.83911300 Scalapack redistribute (51.58114s) started
T01 << 1462366147.89781690 Scalapack redistribute (51.63984s) stopped
T01 << 1462366147.89791203 Distribute overlap matrix (1034.81080s) stopped
T01 >> 1462366147.89851403 Blacs Orbital Layouts (2420.75551s) started
T01 >> 1462366147.89966607 General diagonalize (2371.72009s) started
T01 << 1462366150.62487292 General diagonalize (2374.44530s) stopped
T01 >> 1462366150.62493896 Redistribute coefs (2.72375s) started
T01 << 1462366150.62861896 Redistribute coefs (2.72743s) stopped
T01 >> 1462366150.62866902 Send coefs to domains (44.86672s) started
T01 << 1462366150.68444800 Send coefs to domains (44.92250s) stopped
T01 << 1462366150.68475294 Blacs Orbital Layouts (2423.54175s) stopped
T01 >> 1462366150.68480611 Calculate projections (2189.90751s) started
T01 << 1462366153.14458203 Calculate projections (2192.36729s) stopped
T01 << 1462366153.14486289 LCAO eigensolver (7064.17690s) stopped
T01 >> 1462366153.14559007 Density (1741.21985s) started
T01 >> 1462366153.14560294 Pseudo density (1442.07253s) started
T01 >> 1462366153.14613605 Calculate density matrix (1294.93617s) started
T01 << 1462366154.75623608 Calculate density matrix (1296.54627s) stopped
T01 >> 1462366154.75632310 Construct density (145.02460s) started
T01 << 1462366154.95414901 Construct density (145.22243s) stopped
T01 >> 1462366154.95591497 Symmetrize density (0.03636s) started
T01 << 1462366154.95594811 Symmetrize density (0.03639s) stopped
T01 << 1462366154.95639706 Pseudo density (1443.88332s) stopped
T01 >> 1462366154.95641708 Atomic density matrices (198.54365s) started
T01 << 1462366155.18780494 Atomic density matrices (198.77504s) stopped
T01 >> 1462366155.18784595 Multipole moments (3.28205s) started
T01 << 1462366155.19193196 Multipole moments (3.28614s) stopped
T01 >> 1462366155.19195390 Normalize (0.89891s) started
T01 << 1462366155.19312406 Normalize (0.90008s) stopped
T01 >> 1462366155.19315696 Mix (96.36636s) started
T01 << 1462366155.31462312 Mix (96.48782s) stopped
T01 << 1462366155.31471801 Density (1743.38897s) stopped
T01 >> 1462366155.31482911 Hamiltonian (19509.39464s) started
T01 >> 1462366155.31484795 vbar (11.82330s) started
T01 << 1462366155.32937694 vbar (11.83783s) stopped
T01 >> 1462366155.32943892 XC 3D grid (8458.84290s) started
T01 >> 1462366155.50326490 van der Waals (8166.56425s) started
T01 >> 1462366155.54478502 semilocal (1828.80836s) started
T01 << 1462366157.76286602 semilocal (1831.02644s) stopped
T01 >> 1462366157.79517508 redistribute (877.47497s) started
T01 << 1462366158.19193912 redistribute (877.87173s) stopped
T01 >> 1462366158.19200492 libvdwxc nonlocal (5398.41292s) started
T01 << 1462366164.89019394 libvdwxc nonlocal (5405.11111s) stopped
T01 >> 1462366164.89025211 redistribute (877.87177s) started
T01 << 1462366165.55697989 redistribute (878.53850s) stopped
T01 << 1462366165.55847692 van der Waals (8176.61947s) stopped
T01 << 1462366165.73223305 XC 3D grid (8469.24569s) stopped
T01 >> 1462366165.73228002 Poisson (1689.68473s) started
T01 << 1462366167.52091694 Poisson (1691.47337s) stopped
T01 >> 1462366167.52099800 Hartree integrate/restrict (67.19416s) started
T01 << 1462366167.53977394 Hartree integrate/restrict (67.21294s) stopped
T01 >> 1462366167.53983998 Hartree integrate/restrict (67.21299s) started
T01 << 1462366167.60779691 Hartree integrate/restrict (67.28094s) stopped
T01 >> 1462366167.62356091 Atomic (5188.66922s) started
T01 >> 1462366167.63370991 XC Correction (5177.92438s) started
T01 << 1462366173.83222198 XC Correction (5184.12290s) stopped
T01 << 1462366173.83522296 Atomic (5194.88088s) stopped
T01 >> 1462366173.83532810 Communicate (4075.98870s) started
T01 << 1462366178.83393693 Communicate (4080.98730s) stopped
T01 << 1462366178.83396101 Hamiltonian (19532.91377s) stopped
T01 >> 1462366178.83402610 LCAO eigensolver (7064.17691s) started
T01 >> 1462366178.83403897 Potential matrix (230.80505s) started
T01 << 1462366179.11112094 Potential matrix (231.08213s) stopped
T01 >> 1462366179.11119604 DistributedAtomicCorrection (1181.88743s) started
T01 << 1462366180.50958800 DistributedAtomicCorrection (1183.28582s) stopped
T01 >> 1462366180.50966907 Distribute overlap matrix (1034.81081s) started
T01 >> 1462366180.50969195 blocked summation (981.73108s) started
T01 << 1462366181.65036988 blocked summation (982.87176s) stopped
T01 >> 1462366181.65209293 Scalapack redistribute (51.63988s) started
T01 << 1462366181.70961905 Scalapack redistribute (51.69741s) stopped
T01 << 1462366181.70970988 Distribute overlap matrix (1036.01085s) stopped
T01 >> 1462366181.71028805 Blacs Orbital Layouts (2423.54177s) started
T01 >> 1462366181.71194410 General diagonalize (2374.44533s) started
T01 << 1462366184.42746592 General diagonalize (2377.16086s) stopped
T01 >> 1462366184.42753005 Redistribute coefs (2.72747s) started
T01 << 1462366184.43124294 Redistribute coefs (2.73119s) stopped
T01 >> 1462366184.43129206 Send coefs to domains (44.92254s) started
T01 << 1462366184.48681593 Send coefs to domains (44.97807s) stopped
T01 << 1462366184.48711896 Blacs Orbital Layouts (2426.31860s) stopped
T01 >> 1462366184.48717093 Calculate projections (2192.36734s) started
T01 << 1462366186.94707489 Calculate projections (2194.82725s) stopped
T01 << 1462366186.94735098 LCAO eigensolver (7072.29024s) stopped
T01 >> 1462366186.94807601 Density (1743.38899s) started
T01 >> 1462366186.94809008 Pseudo density (1443.88334s) started
T01 >> 1462366186.94859695 Calculate density matrix (1296.54631s) started
T01 << 1462366188.55627608 Calculate density matrix (1298.15399s) stopped
T01 >> 1462366188.55636096 Construct density (145.22246s) started
T01 << 1462366188.75397491 Construct density (145.42008s) stopped
T01 >> 1462366188.75630593 Symmetrize density (0.03640s) started
T01 << 1462366188.75634003 Symmetrize density (0.03643s) stopped
T01 << 1462366188.75679898 Pseudo density (1445.69205s) stopped
T01 >> 1462366188.75681901 Atomic density matrices (198.77507s) started
T01 << 1462366188.98802495 Atomic density matrices (199.00628s) stopped
T01 >> 1462366188.98806596 Multipole moments (3.28615s) started
T01 << 1462366188.99215293 Multipole moments (3.29024s) stopped
T01 >> 1462366188.99217510 Normalize (0.90010s) started
T01 << 1462366188.99335289 Normalize (0.90128s) stopped
T01 >> 1462366188.99338603 Mix (96.48791s) started
T01 << 1462366189.11600089 Mix (96.61053s) stopped
T01 << 1462366189.11609602 Density (1745.55701s) stopped
T01 >> 1462366189.11622906 Hamiltonian (19532.91378s) started
T01 >> 1462366189.11624908 vbar (11.83786s) started
T01 << 1462366189.13071704 vbar (11.85233s) stopped
T01 >> 1462366189.13080502 XC 3D grid (8469.24573s) started
T01 >> 1462366189.30660105 van der Waals (8176.61955s) started
T01 >> 1462366189.34900308 semilocal (1831.02656s) started
T01 << 1462366191.57160711 semilocal (1833.24916s) stopped
T01 >> 1462366191.60215998 redistribute (878.53863s) started
T01 << 1462366191.98840094 redistribute (878.92487s) stopped
T01 >> 1462366191.98846698 libvdwxc nonlocal (5405.11114s) started
T01 << 1462366198.65662289 libvdwxc nonlocal (5411.77930s) stopped
T01 >> 1462366198.65672207 redistribute (878.92491s) started
T01 << 1462366199.31837201 redistribute (879.58656s) stopped
T01 << 1462366199.31995106 van der Waals (8186.63290s) stopped
T01 << 1462366199.49762106 XC 3D grid (8479.61255s) stopped
T01 >> 1462366199.49767590 Poisson (1691.47343s) started
T01 << 1462366201.29134011 Poisson (1693.26709s) stopped
T01 >> 1462366201.29142690 Hartree integrate/restrict (67.28098s) started
T01 << 1462366201.31052899 Hartree integrate/restrict (67.30008s) stopped
T01 >> 1462366201.31059504 Hartree integrate/restrict (67.30013s) started
T01 << 1462366201.37839890 Hartree integrate/restrict (67.36793s) stopped
T01 >> 1462366201.39149499 Atomic (5194.88089s) started
T01 >> 1462366201.40173793 XC Correction (5184.12292s) started
T01 << 1462366207.68666697 XC Correction (5190.40785s) stopped
T01 << 1462366207.68968391 Atomic (5201.17908s) stopped
T01 >> 1462366207.68978405 Communicate (4080.98732s) started
T01 << 1462366212.62484097 Communicate (4085.92238s) stopped
T01 << 1462366212.62486506 Hamiltonian (19556.42242s) stopped
T01 >> 1462366212.62492895 LCAO eigensolver (7072.29026s) started
T01 >> 1462366212.62494206 Potential matrix (231.08217s) started
T01 << 1462366212.90333200 Potential matrix (231.36056s) stopped
T01 >> 1462366212.90340805 DistributedAtomicCorrection (1183.28586s) started
T01 << 1462366214.30638909 DistributedAtomicCorrection (1184.68884s) stopped
T01 >> 1462366214.30646706 Distribute overlap matrix (1036.01086s) started
T01 >> 1462366214.30648994 blocked summation (982.87180s) started
T01 << 1462366215.38211703 blocked summation (983.94743s) stopped
T01 >> 1462366215.38381290 Scalapack redistribute (51.69745s) started
T01 << 1462366215.44347692 Scalapack redistribute (51.75711s) stopped
T01 << 1462366215.44357395 Distribute overlap matrix (1037.14797s) stopped
T01 >> 1462366215.44418001 Blacs Orbital Layouts (2426.31862s) started
T01 >> 1462366215.44533706 General diagonalize (2377.16089s) started
T01 << 1462366218.16672492 General diagonalize (2379.88228s) stopped
T01 >> 1462366218.16679096 Redistribute coefs (2.73122s) started
T01 << 1462366218.17038298 Redistribute coefs (2.73482s) stopped
T01 >> 1462366218.17042994 Send coefs to domains (44.97811s) started
T01 << 1462366218.22831988 Send coefs to domains (45.03600s) stopped
T01 << 1462366218.22862291 Blacs Orbital Layouts (2429.10306s) stopped
T01 >> 1462366218.22868299 Calculate projections (2194.82730s) started
T01 << 1462366220.68850303 Calculate projections (2197.28712s) stopped
T01 << 1462366220.68877912 LCAO eigensolver (7080.35411s) stopped
T01 >> 1462366220.68950796 Density (1745.55703s) started
T01 >> 1462366220.68952107 Pseudo density (1445.69206s) started
T01 >> 1462366220.69004893 Calculate density matrix (1298.15403s) started
T01 << 1462366222.30310512 Calculate density matrix (1299.76709s) stopped
T01 >> 1462366222.30318999 Construct density (145.42011s) started
T01 << 1462366222.50077701 Construct density (145.61770s) stopped
T01 >> 1462366222.50309706 Symmetrize density (0.03644s) started
T01 << 1462366222.50312901 Symmetrize density (0.03648s) stopped
T01 << 1462366222.50358105 Pseudo density (1447.50612s) stopped
T01 >> 1462366222.50360107 Atomic density matrices (199.00630s) started
T01 << 1462366222.73491096 Atomic density matrices (199.23761s) stopped
T01 >> 1462366222.73495293 Multipole moments (3.29026s) started
T01 << 1462366222.73902512 Multipole moments (3.29433s) stopped
T01 >> 1462366222.73904705 Normalize (0.90130s) started
T01 << 1462366222.74020600 Normalize (0.90246s) stopped
T01 >> 1462366222.74024010 Mix (96.61062s) started
T01 << 1462366222.86307406 Mix (96.73345s) stopped
T01 << 1462366222.86319494 Density (1747.73072s) stopped
T01 >> 1462366222.86332297 Hamiltonian (19556.42243s) started
T01 >> 1462366222.86334205 vbar (11.85238s) started
T01 << 1462366222.87772107 vbar (11.86676s) stopped
T01 >> 1462366222.87781596 XC 3D grid (8479.61259s) started
T01 >> 1462366223.05573797 van der Waals (8186.63302s) started
T01 >> 1462366223.09830189 semilocal (1833.24924s) started
T01 << 1462366225.32442307 semilocal (1835.47536s) stopped
T01 >> 1462366225.35424495 redistribute (879.58668s) started
T01 << 1462366225.74619889 redistribute (879.97864s) stopped
T01 >> 1462366225.74626493 libvdwxc nonlocal (5411.77937s) started
T01 << 1462366232.44409990 libvdwxc nonlocal (5418.47721s) stopped
T01 >> 1462366232.44418001 redistribute (879.97867s) started
T01 << 1462366233.10357404 redistribute (880.63807s) stopped
T01 << 1462366233.10482693 van der Waals (8196.68211s) stopped
T01 << 1462366233.28200793 XC 3D grid (8490.01678s) stopped
T01 >> 1462366233.28206897 Poisson (1693.26716s) started
T01 << 1462366235.07841706 Poisson (1695.06351s) stopped
T01 >> 1462366235.07849598 Hartree integrate/restrict (67.36797s) started
T01 << 1462366235.09739089 Hartree integrate/restrict (67.38687s) stopped
T01 >> 1462366235.09747791 Hartree integrate/restrict (67.38693s) started
T01 << 1462366235.16551900 Hartree integrate/restrict (67.45497s) stopped
T01 >> 1462366235.18405008 Atomic (5201.17910s) started
T01 >> 1462366235.19419789 XC Correction (5190.40787s) started
T01 << 1462366241.44964194 XC Correction (5196.66331s) stopped
T01 << 1462366241.45267200 Atomic (5207.44772s) stopped
T01 >> 1462366241.45277596 Communicate (4085.92239s) started
T01 << 1462366246.42060399 Communicate (4090.89022s) stopped
T01 << 1462366246.42062712 Hamiltonian (19579.97974s) stopped
T01 >> 1462366246.42069507 LCAO eigensolver (7080.35413s) started
T01 >> 1462366246.42070794 Potential matrix (231.36060s) started
T01 << 1462366246.69814205 Potential matrix (231.63804s) stopped
T01 >> 1462366246.69821811 DistributedAtomicCorrection (1184.68888s) started
T01 << 1462366248.09369612 DistributedAtomicCorrection (1186.08436s) stopped
T01 >> 1462366248.09377193 Distribute overlap matrix (1037.14798s) started
T01 >> 1462366248.09379506 blocked summation (983.94746s) started
T01 << 1462366249.25582910 blocked summation (985.10950s) stopped
T01 >> 1462366249.25747395 Scalapack redistribute (51.75715s) started
T01 << 1462366249.31493402 Scalapack redistribute (51.81461s) stopped
T01 << 1462366249.31502509 Distribute overlap matrix (1038.36923s) stopped
T01 >> 1462366249.31563210 Blacs Orbital Layouts (2429.10308s) started
T01 >> 1462366249.31679392 General diagonalize (2379.88232s) started
T01 << 1462366252.05195093 General diagonalize (2382.61748s) stopped
T01 >> 1462366252.05201602 Redistribute coefs (2.73485s) started
T01 << 1462366252.05572701 Redistribute coefs (2.73856s) stopped
T01 >> 1462366252.05577302 Send coefs to domains (45.03604s) started
T01 << 1462366252.11203790 Send coefs to domains (45.09231s) stopped
T01 << 1462366252.11234307 Blacs Orbital Layouts (2431.89979s) stopped
T01 >> 1462366252.11239791 Calculate projections (2197.28718s) started
T01 << 1462366254.57194901 Calculate projections (2199.74673s) stopped
T01 << 1462366254.57222295 LCAO eigensolver (7088.50566s) stopped
T01 << 1462366254.57295203 SCF-cycle (28416.95757s) stopped
T01 >> 1462366255.47980189 Force calculation (1765.05964s) started
T01 >> 1462366255.47986698 LCAO forces (1085.33373s) started
T01 >> 1462366255.48021698 Initial (0.00128s) started
T01 << 1462366255.48022795 Initial (0.00129s) stopped
T01 >> 1462366255.48457694 Get density matrix (212.17286s) started
T01 << 1462366256.08910298 Get density matrix (212.77738s) stopped
T01 >> 1462366256.08917689 Potential (78.38374s) started
T01 << 1462366257.55956697 Potential (79.85413s) stopped
T01 >> 1462366257.55962992 Get density matrix (212.77742s) started
T01 << 1462366260.87778592 Get density matrix (216.09558s) stopped
T01 >> 1462366260.87792301 Prepare TCI loop (105.24113s) started
T01 >> 1462366260.87841392 Get neighbors (100.00652s) started
T01 << 1462366262.76341200 Get neighbors (101.89152s) stopped
T01 >> 1462366262.76363611 broadcast dH (5.19515s) started
T01 << 1462366262.90591693 broadcast dH (5.33743s) stopped
T01 << 1462366262.90596795 Prepare TCI loop (107.26918s) stopped
T01 >> 1462366262.90598798 Not so complicated loop (151.85049s) started
T01 << 1462366265.65754604 Not so complicated loop (154.60205s) stopped
T01 >> 1462366265.78265810 Complicated loop (529.81100s) started
T01 << 1462366275.72209597 Complicated loop (539.75043s) stopped
T01 >> 1462366275.73642993 Wait for sum (0.00320s) started
T01 << 1462366275.73647499 Wait for sum (0.00324s) stopped
T01 << 1462366275.73648810 LCAO forces (1105.59035s) stopped
T01 << 1462366290.13649797 Force calculation (1799.71633s) stopped
T01 >> 1462366290.15431190 Initialization (2863.34464s) started
T01 << 1462366290.15451789 Initialization (2863.34485s) stopped
T01 >> 1462366290.15478802 Initialization (2863.34486s) started
T01 << 1462366290.15492702 Initialization (2863.34500s) stopped
T01 >> 1462366290.15507197 Initialization (2863.34502s) started
T01 << 1462366290.15520906 Initialization (2863.34515s) stopped
T01 >> 1462366310.53095007 Initialization (2863.34517s) started
T01 >> 1462366310.58400798 Basic WFS set positions (5.58032s) started
T01 >> 1462366310.58403492 Redistribute (0.11765s) started
T01 << 1462366310.58887291 Redistribute (0.12249s) stopped
T01 << 1462366310.68617105 Basic WFS set positions (5.68249s) stopped
T01 >> 1462366310.68619990 Basis functions set positions (23.56847s) started
T01 << 1462366311.09897399 Basis functions set positions (23.98124s) stopped
T01 >> 1462366311.09994411 TCI: Calculate S, T, P (860.51978s) started
T01 << 1462366326.53544402 TCI: Calculate S, T, P (875.95528s) stopped
T01 >> 1462366326.53553891 blocked summation (231.18635s) started
T01 << 1462366330.48533201 blocked summation (235.13614s) stopped
T01 >> 1462366330.48747993 Scalapack redistribute (13.96936s) started
T01 << 1462366330.54615998 Scalapack redistribute (14.02804s) stopped
T01 >> 1462366330.54650307 blocked summation (235.13618s) started
T01 << 1462366330.72220206 blocked summation (235.31188s) stopped
T01 >> 1462366330.72377706 Scalapack redistribute (14.02810s) started
T01 << 1462366330.92633295 Scalapack redistribute (14.23065s) stopped
T01 >> 1462366330.92771196 Redistribute (0.11533s) started
T01 << 1462366330.92875004 Redistribute (0.11636s) stopped
T01 >> 1462366331.84921694 Redistribute (0.11638s) started
T01 << 1462366331.85033298 Redistribute (0.11750s) stopped
T01 >> 1462366331.86089110 LCAO WFS Initialize (1669.32323s) started
T01 >> 1462366331.86091805 Density initialize from wavefunctions (68.56111s) started
T01 >> 1462366331.86134291 Calculate density matrix (39.53158s) started
T01 << 1462366332.57549405 Calculate density matrix (40.24573s) stopped
T01 >> 1462366332.57555890 Construct density (9.95490s) started
T01 << 1462366332.76449394 Construct density (10.14384s) stopped
T01 >> 1462366332.76611900 Symmetrize density (0.00247s) started
T01 << 1462366332.76615095 Symmetrize density (0.00250s) stopped
T01 << 1462366333.10297489 Density initialize from wavefunctions (69.80317s) stopped
T01 >> 1462366333.10369802 Hamiltonian (1600.53369s) started
T01 >> 1462366333.10375309 vbar (0.83774s) started
T01 << 1462366333.11828804 vbar (0.85227s) stopped
T01 >> 1462366333.11838293 XC 3D grid (587.78442s) started
T01 >> 1462366333.29043889 van der Waals (567.40414s) started
T01 >> 1462366333.33296394 semilocal (126.42492s) started
T01 << 1462366335.53215694 semilocal (128.62411s) stopped
T01 >> 1462366335.56762409 redistribute (60.15279s) started
T01 << 1462366335.99113107 redistribute (60.57630s) stopped
T01 >> 1462366335.99120402 libvdwxc nonlocal (376.52862s) started
T01 << 1462366342.68936801 libvdwxc nonlocal (383.22679s) stopped
T01 >> 1462366342.68945694 redistribute (60.57634s) started
T01 << 1462366343.33702707 redistribute (61.22391s) stopped
T01 << 1462366343.33810997 van der Waals (577.45181s) stopped
T01 << 1462366343.52065802 XC 3D grid (598.18670s) stopped
T01 >> 1462366343.52070999 Poisson (266.54423s) started
T01 << 1462366347.68560410 Poisson (270.70913s) stopped
T01 >> 1462366347.68567395 Hartree integrate/restrict (4.63515s) started
T01 << 1462366347.70470309 Hartree integrate/restrict (4.65418s) stopped
T01 >> 1462366347.70476007 Hartree integrate/restrict (4.65421s) started
T01 << 1462366347.76627994 Hartree integrate/restrict (4.71573s) stopped
T01 >> 1462366347.78384995 Atomic (376.44119s) started
T01 >> 1462366347.79460692 XC Correction (375.67803s) started
T01 << 1462366354.46462393 XC Correction (382.34804s) stopped
T01 << 1462366354.46774101 Atomic (383.12508s) stopped
T01 >> 1462366354.46800590 Communicate (363.07526s) started
T01 << 1462366360.54481506 Communicate (369.15207s) stopped
T01 << 1462366360.54483891 Hamiltonian (1627.97483s) stopped
T01 << 1462366360.54489398 LCAO WFS Initialize (1698.00723s) stopped
T01 << 1462366360.55696392 Initialization (2913.37119s) stopped
T01 >> 1462366360.58209395 SCF-cycle (28416.95758s) started
T01 >> 1462366360.58213305 LCAO eigensolver (7088.50568s) started
T01 >> 1462366360.58214593 Potential matrix (231.63808s) started
T01 << 1462366360.85815310 Potential matrix (231.91409s) stopped
T01 >> 1462366360.85823107 DistributedAtomicCorrection (1186.08440s) started
T01 << 1462366362.27742505 DistributedAtomicCorrection (1187.50359s) stopped
T01 >> 1462366362.27750707 Distribute overlap matrix (1038.36925s) started
T01 >> 1462366362.27752995 blocked summation (985.10953s) started
T01 << 1462366363.39710808 blocked summation (986.22911s) stopped
T01 >> 1462366363.39856696 Scalapack redistribute (51.81465s) started
T01 << 1462366363.45770001 Scalapack redistribute (51.87378s) stopped
T01 << 1462366363.45777702 Distribute overlap matrix (1039.54952s) stopped
T01 >> 1462366363.45834494 Blacs Orbital Layouts (2431.89980s) started
T01 >> 1462366363.45951891 General diagonalize (2382.61752s) started
T01 << 1462366366.19753194 General diagonalize (2385.35553s) stopped
T01 >> 1462366366.19758201 Redistribute coefs (2.73860s) started
T01 << 1462366366.20158291 Redistribute coefs (2.74260s) stopped
T01 >> 1462366366.20163012 Send coefs to domains (45.09235s) started
T01 << 1462366366.25766706 Send coefs to domains (45.14839s) stopped
T01 << 1462366366.25772190 Blacs Orbital Layouts (2434.69918s) stopped
T01 >> 1462366366.25775194 Calculate projections (2199.74678s) started
T01 << 1462366368.73972702 Calculate projections (2202.22876s) stopped
T01 << 1462366368.73980904 LCAO eigensolver (7096.66335s) stopped
T01 >> 1462366368.74044895 Density (1747.73074s) started
T01 >> 1462366368.74046206 Pseudo density (1447.50614s) started
T01 >> 1462366368.74098206 Calculate density matrix (1299.76713s) started
T01 << 1462366370.33149600 Calculate density matrix (1301.35765s) stopped
T01 >> 1462366370.33156109 Construct density (145.61774s) started
T01 << 1462366370.52027011 Construct density (145.80645s) stopped
T01 >> 1462366370.52169609 Symmetrize density (0.03649s) started
T01 << 1462366370.52172995 Symmetrize density (0.03652s) stopped
T01 << 1462366370.52217793 Pseudo density (1449.28785s) stopped
T01 >> 1462366370.52219701 Atomic density matrices (199.23764s) started
T01 << 1462366370.76386309 Atomic density matrices (199.47931s) stopped
T01 >> 1462366370.76390505 Multipole moments (3.29434s) started
T01 << 1462366370.76784492 Multipole moments (3.29828s) stopped
T01 >> 1462366370.76786709 Normalize (0.90249s) started
T01 << 1462366370.76902390 Normalize (0.90364s) stopped
T01 >> 1462366370.76905704 Mix (96.73357s) started
T01 << 1462366370.87565494 Mix (96.84017s) stopped
T01 << 1462366370.87576890 Density (1749.86606s) stopped
T01 >> 1462366370.87587404 Hamiltonian (19579.97975s) started
T01 >> 1462366370.87589192 vbar (11.86682s) started
T01 << 1462366370.89059806 vbar (11.88153s) stopped
T01 >> 1462366370.89068508 XC 3D grid (8490.01683s) started
T01 >> 1462366371.06734800 van der Waals (8196.68215s) started
T01 >> 1462366371.11071610 semilocal (1835.47545s) started
T01 << 1462366373.32755804 semilocal (1837.69229s) stopped
T01 >> 1462366373.35913992 redistribute (880.63811s) started
T01 << 1462366373.76306510 redistribute (881.04204s) stopped
T01 >> 1462366373.76313496 libvdwxc nonlocal (5418.47726s) started
T01 << 1462366380.49487996 libvdwxc nonlocal (5425.20901s) stopped
T01 >> 1462366380.49496198 redistribute (881.04208s) started
T01 << 1462366381.14836001 redistribute (881.69547s) stopped
T01 << 1462366381.14955902 van der Waals (8206.76436s) stopped
T01 << 1462366381.32970309 XC 3D grid (8500.45584s) stopped
T01 >> 1462366381.32976389 Poisson (1695.06357s) started
T01 << 1462366383.13219810 Poisson (1696.86600s) stopped
T01 >> 1462366383.13227510 Hartree integrate/restrict (67.45501s) started
T01 << 1462366383.15101910 Hartree integrate/restrict (67.47376s) stopped
T01 >> 1462366383.15113211 Hartree integrate/restrict (67.47383s) started
T01 << 1462366383.21798801 Hartree integrate/restrict (67.54069s) stopped
T01 >> 1462366383.23647499 Atomic (5207.44774s) started
T01 >> 1462366383.24674606 XC Correction (5196.66334s) started
T01 << 1462366389.95151997 XC Correction (5203.36812s) stopped
T01 << 1462366389.95456791 Atomic (5214.16583s) stopped
T01 >> 1462366389.95472789 Communicate (4090.89024s) started
T01 << 1462366395.99846697 Communicate (4096.93398s) stopped
T01 << 1462366395.99849105 Hamiltonian (19605.10237s) stopped
T01 >> 1462366395.99856400 LCAO eigensolver (7096.66336s) started
T01 >> 1462366395.99857712 Potential matrix (231.91413s) started
T01 << 1462366396.27453899 Potential matrix (232.19009s) stopped
T01 >> 1462366396.27461505 DistributedAtomicCorrection (1187.50363s) started
T01 << 1462366397.68943095 DistributedAtomicCorrection (1188.91844s) stopped
T01 >> 1462366397.68951201 Distribute overlap matrix (1039.54953s) started
T01 >> 1462366397.68953490 blocked summation (986.22915s) started
T01 << 1462366398.81888795 blocked summation (987.35851s) stopped
T01 >> 1462366398.82034612 Scalapack redistribute (51.87382s) started
T01 << 1462366398.88051295 Scalapack redistribute (51.93399s) stopped
T01 << 1462366398.88058805 Distribute overlap matrix (1040.74060s) stopped
T01 >> 1462366398.88117194 Blacs Orbital Layouts (2434.69919s) started
T01 >> 1462366398.88216305 General diagonalize (2385.35557s) started
T01 << 1462366401.59831595 General diagonalize (2388.07172s) stopped
T01 >> 1462366401.59836698 Redistribute coefs (2.74264s) started
T01 << 1462366401.60237598 Redistribute coefs (2.74665s) stopped
T01 >> 1462366401.60242200 Send coefs to domains (45.14843s) started
T01 << 1462366401.65828991 Send coefs to domains (45.20430s) stopped
T01 << 1462366401.65834689 Blacs Orbital Layouts (2437.47637s) stopped
T01 >> 1462366401.65839505 Calculate projections (2202.22881s) started
T01 << 1462366404.14033008 Calculate projections (2204.71075s) stopped
T01 << 1462366404.14040899 LCAO eigensolver (7104.80521s) stopped
T01 >> 1462366404.14107990 Density (1749.86608s) started
T01 >> 1462366404.14109397 Pseudo density (1449.28787s) started
T01 >> 1462366404.14162207 Calculate density matrix (1301.35769s) started
T01 << 1462366405.72346711 Calculate density matrix (1302.93953s) stopped
T01 >> 1462366405.72353601 Construct density (145.80648s) started
T01 << 1462366405.91188693 Construct density (145.99483s) stopped
T01 >> 1462366405.91331100 Symmetrize density (0.03653s) started
T01 << 1462366405.91334510 Symmetrize density (0.03657s) stopped
T01 << 1462366405.91380095 Pseudo density (1451.06057s) stopped
T01 >> 1462366405.91382098 Atomic density matrices (199.47934s) started
T01 << 1462366406.15520501 Atomic density matrices (199.72072s) stopped
T01 >> 1462366406.15524793 Multipole moments (3.29830s) started
T01 << 1462366406.15922904 Multipole moments (3.30228s) stopped
T01 >> 1462366406.15925097 Normalize (0.90367s) started
T01 << 1462366406.16041088 Normalize (0.90483s) stopped
T01 >> 1462366406.16044593 Mix (96.84027s) started
T01 << 1462366406.27073002 Mix (96.95056s) stopped
T01 << 1462366406.27083898 Density (1751.99583s) stopped
T01 >> 1462366406.27093792 Hamiltonian (19605.10238s) started
T01 >> 1462366406.27095699 vbar (11.88158s) started
T01 << 1462366406.28571296 vbar (11.89633s) stopped
T01 >> 1462366406.28581095 XC 3D grid (8500.45589s) started
T01 >> 1462366406.46017408 van der Waals (8206.76441s) started
T01 >> 1462366406.50197792 semilocal (1837.69241s) started
T01 << 1462366408.73417497 semilocal (1839.92460s) stopped
T01 >> 1462366408.76545811 redistribute (881.69552s) started
T01 << 1462366409.15431309 redistribute (882.08437s) stopped
T01 >> 1462366409.15438294 libvdwxc nonlocal (5425.20907s) started
T01 << 1462366415.86587000 libvdwxc nonlocal (5431.92056s) stopped
T01 >> 1462366415.86594892 redistribute (882.08441s) started
T01 << 1462366416.51575398 redistribute (882.73422s) stopped
T01 << 1462366416.51678705 van der Waals (8216.82102s) stopped
T01 << 1462366416.69625092 XC 3D grid (8510.86633s) stopped
T01 >> 1462366416.69630003 Poisson (1696.86606s) started
T01 << 1462366418.49665499 Poisson (1698.66641s) stopped
T01 >> 1462366418.49674702 Hartree integrate/restrict (67.54073s) started
T01 << 1462366418.51584911 Hartree integrate/restrict (67.55983s) stopped
T01 >> 1462366418.51589990 Hartree integrate/restrict (67.55986s) started
T01 << 1462366418.58311009 Hartree integrate/restrict (67.62707s) stopped
T01 >> 1462366418.60050106 Atomic (5214.16585s) started
T01 >> 1462366418.61074710 XC Correction (5203.36814s) started
T01 << 1462366424.97143602 XC Correction (5209.72883s) stopped
T01 << 1462366424.97449994 Atomic (5220.53985s) stopped
T01 >> 1462366424.97465706 Communicate (4096.93399s) started
T01 << 1462366430.76022291 Communicate (4102.71956s) stopped
T01 << 1462366430.76024699 Hamiltonian (19629.59169s) stopped
T01 >> 1462366430.76032090 LCAO eigensolver (7104.80522s) started
T01 >> 1462366430.76033401 Potential matrix (232.19013s) started
T01 << 1462366431.03617597 Potential matrix (232.46598s) stopped
T01 >> 1462366431.03625298 DistributedAtomicCorrection (1188.91848s) started
T01 << 1462366432.44898891 DistributedAtomicCorrection (1190.33122s) stopped
T01 >> 1462366432.44907308 Distribute overlap matrix (1040.74062s) started
T01 >> 1462366432.44909501 blocked summation (987.35854s) started
T01 << 1462366433.56991696 blocked summation (988.47937s) stopped
T01 >> 1462366433.57136703 Scalapack redistribute (51.93402s) started
T01 << 1462366433.63079691 Scalapack redistribute (51.99345s) stopped
T01 << 1462366433.63087296 Distribute overlap matrix (1041.92242s) stopped
T01 >> 1462366433.63143897 Blacs Orbital Layouts (2437.47638s) started
T01 >> 1462366433.63247991 General diagonalize (2388.07176s) started
T01 << 1462366436.35167909 General diagonalize (2390.79096s) stopped
T01 >> 1462366436.35174394 Redistribute coefs (2.74668s) started
T01 << 1462366436.35580707 Redistribute coefs (2.75075s) stopped
T01 >> 1462366436.35585403 Send coefs to domains (45.20434s) started
T01 << 1462366436.41093993 Send coefs to domains (45.25943s) stopped
T01 << 1462366436.41099691 Blacs Orbital Layouts (2440.25594s) stopped
T01 >> 1462366436.41104698 Calculate projections (2204.71080s) started
T01 << 1462366438.89317107 Calculate projections (2207.19292s) stopped
T01 << 1462366438.89324999 LCAO eigensolver (7112.93815s) stopped
T01 >> 1462366438.89396906 Density (1751.99585s) started
T01 >> 1462366438.89398193 Pseudo density (1451.06059s) started
T01 >> 1462366438.89450097 Calculate density matrix (1302.93958s) started
T01 << 1462366440.47540212 Calculate density matrix (1304.52048s) stopped
T01 >> 1462366440.47548795 Construct density (145.99487s) started
T01 << 1462366440.66386199 Construct density (146.18324s) stopped
T01 >> 1462366440.66532898 Symmetrize density (0.03658s) started
T01 << 1462366440.66536188 Symmetrize density (0.03661s) stopped
T01 << 1462366440.66581511 Pseudo density (1452.83242s) stopped
T01 >> 1462366440.66583395 Atomic density matrices (199.72075s) started
T01 << 1462366440.90627694 Atomic density matrices (199.96119s) stopped
T01 >> 1462366440.90631795 Multipole moments (3.30229s) started
T01 << 1462366440.91037703 Multipole moments (3.30635s) stopped
T01 >> 1462366440.91039896 Normalize (0.90485s) started
T01 << 1462366440.91153193 Normalize (0.90599s) stopped
T01 >> 1462366440.91156602 Mix (96.95066s) started
T01 << 1462366441.02494192 Mix (97.06404s) stopped
T01 << 1462366441.02502990 Density (1754.12691s) stopped
T01 >> 1462366441.02513003 Hamiltonian (19629.59170s) started
T01 >> 1462366441.02514911 vbar (11.89639s) started
T01 << 1462366441.03968811 vbar (11.91093s) stopped
T01 >> 1462366441.03976893 XC 3D grid (8510.86637s) started
T01 >> 1462366441.21852112 van der Waals (8216.82108s) started
T01 >> 1462366441.26091099 semilocal (1839.92466s) started
T01 << 1462366443.51216412 semilocal (1842.17591s) stopped
T01 >> 1462366443.54351711 redistribute (882.73426s) started
T01 << 1462366443.91981006 redistribute (883.11056s) stopped
T01 >> 1462366443.91987801 libvdwxc nonlocal (5431.92061s) started
T01 << 1462366450.63385296 libvdwxc nonlocal (5438.63459s) stopped
T01 >> 1462366450.63392806 redistribute (883.11059s) started
T01 << 1462366451.28715611 redistribute (883.76382s) stopped
T01 << 1462366451.28827000 van der Waals (8226.89083s) stopped
T01 << 1462366451.46940088 XC 3D grid (8521.29600s) stopped
T01 >> 1462366451.46945000 Poisson (1698.66648s) started
T01 << 1462366453.85730600 Poisson (1701.05434s) stopped
T01 >> 1462366453.85739589 Hartree integrate/restrict (67.62711s) started
T01 << 1462366453.87637591 Hartree integrate/restrict (67.64609s) stopped
T01 >> 1462366453.87644410 Hartree integrate/restrict (67.64614s) started
T01 << 1462366453.93695593 Hartree integrate/restrict (67.70665s) stopped
T01 >> 1462366453.95599103 Atomic (5220.53987s) started
T01 >> 1462366453.96630907 XC Correction (5209.72885s) started
T01 << 1462366460.18562007 XC Correction (5215.94816s) stopped
T01 << 1462366460.18867302 Atomic (5226.77255s) stopped
T01 >> 1462366460.18882895 Communicate (4102.71957s) started
T01 << 1462366465.43160701 Communicate (4107.96235s) stopped
T01 << 1462366465.43162990 Hamiltonian (19653.99820s) stopped
T01 >> 1462366465.43170691 LCAO eigensolver (7112.93816s) started
T01 >> 1462366465.43172097 Potential matrix (232.46602s) started
T01 << 1462366465.70783806 Potential matrix (232.74214s) stopped
T01 >> 1462366465.70791292 DistributedAtomicCorrection (1190.33126s) started
T01 << 1462366467.12290907 DistributedAtomicCorrection (1191.74626s) stopped
T01 >> 1462366467.12299109 Distribute overlap matrix (1041.92243s) started
T01 >> 1462366467.12301493 blocked summation (988.47941s) started
T01 << 1462366468.25884008 blocked summation (989.61523s) stopped
T01 >> 1462366468.26031709 Scalapack redistribute (51.99349s) started
T01 << 1462366468.31984806 Scalapack redistribute (52.05302s) stopped
T01 << 1462366468.31992197 Distribute overlap matrix (1043.11936s) stopped
T01 >> 1462366468.32048893 Blacs Orbital Layouts (2440.25595s) started
T01 >> 1462366468.32164192 General diagonalize (2390.79100s) started
T01 << 1462366471.03760600 General diagonalize (2393.50696s) stopped
T01 >> 1462366471.03767300 Redistribute coefs (2.75078s) started
T01 << 1462366471.04154110 Redistribute coefs (2.75465s) stopped
T01 >> 1462366471.04158902 Send coefs to domains (45.25947s) started
T01 << 1462366471.09693289 Send coefs to domains (45.31482s) stopped
T01 << 1462366471.09698892 Blacs Orbital Layouts (2443.03245s) stopped
T01 >> 1462366471.09703898 Calculate projections (2207.19298s) started
T01 << 1462366473.57865691 Calculate projections (2209.67460s) stopped
T01 << 1462366473.57873607 LCAO eigensolver (7121.08519s) stopped
T01 >> 1462366473.57946205 Density (1754.12693s) started
T01 >> 1462366473.57947493 Pseudo density (1452.83244s) started
T01 >> 1462366473.57999897 Calculate density matrix (1304.52052s) started
T01 << 1462366475.16287899 Calculate density matrix (1306.10340s) stopped
T01 >> 1462366475.16296697 Construct density (146.18327s) started
T01 << 1462366475.35170102 Construct density (146.37201s) stopped
T01 >> 1462366475.35315895 Symmetrize density (0.03662s) started
T01 << 1462366475.35319400 Symmetrize density (0.03666s) stopped
T01 << 1462366475.35363603 Pseudo density (1454.60660s) stopped
T01 >> 1462366475.35365891 Atomic density matrices (199.96122s) started
T01 << 1462366475.59516191 Atomic density matrices (200.20272s) stopped
T01 >> 1462366475.59520411 Multipole moments (3.30637s) started
T01 << 1462366475.59912801 Multipole moments (3.31029s) stopped
T01 >> 1462366475.59914994 Normalize (0.90601s) started
T01 << 1462366475.60030508 Normalize (0.90716s) stopped
T01 >> 1462366475.60033894 Mix (97.06412s) started
T01 << 1462366475.71716809 Mix (97.18095s) stopped
T01 << 1462366475.71728706 Density (1756.26476s) stopped
T01 >> 1462366475.71738195 Hamiltonian (19653.99821s) started
T01 >> 1462366475.71740198 vbar (11.91097s) started
T01 << 1462366475.73202109 vbar (11.92559s) stopped
T01 >> 1462366475.73212194 XC 3D grid (8521.29604s) started
T01 >> 1462366475.90958405 van der Waals (8226.89086s) started
T01 >> 1462366475.95283103 semilocal (1842.17597s) started
T01 << 1462366478.14940906 semilocal (1844.37255s) stopped
T01 >> 1462366478.18353200 redistribute (883.76387s) started
T01 << 1462366478.59830499 redistribute (884.17865s) stopped
T01 >> 1462366478.59837508 libvdwxc nonlocal (5438.63464s) started
T01 << 1462366485.29707193 libvdwxc nonlocal (5445.33334s) stopped
T01 >> 1462366485.29713202 redistribute (884.17868s) started
T01 << 1462366485.95784307 redistrib