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Created October 23, 2019 14:51
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PsiTimer.txt
Host: n039
Timers On : Wed Oct 23 08:32:14 2019
Timers Off: Wed Oct 23 08:32:14 2019
Wall Time: 0.71 seconds
Time (seconds)
Module User System Wall Calls
--------------------------------------------------------------------------------------
**************************************************************************************
Host: n034
Timers On : Wed Oct 23 08:33:44 2019
Timers Off: Wed Oct 23 09:16:39 2019
Wall Time: 2574.96 seconds
Time (seconds)
Module User System Wall Calls
Total PK formation time : 163.383u 0.983s 30.992w 1 calls
HF: Form core H : 0.000u 0.000s 0.008w 1 calls
HF: Form S/X : 0.050u 0.000s 0.006w 1 calls
HF: Guess : 5.083u 0.000s 0.763w 1 calls
SAD Guess : 4.917u 0.000s 0.738w 1 calls
HF: Form G : 48.783u 0.000s 21.467w 13 calls
JK: D : 0.000u 0.000s 0.001w 13 calls
JK: USO2AO : 0.067u 0.000s 0.015w 13 calls
JK: JK : 48.533u 0.000s 21.425w 13 calls
PK computes JK : 48.533u 0.000s 21.425w 13 calls
JK: AO2USO : 0.167u 0.000s 0.024w 13 calls
HF: Form F : 0.017u 0.000s 0.001w 13 calls
HF: Form D : 0.000u 0.000s 0.001w 13 calls
HF: DIIS : 0.217u 0.000s 0.033w 12 calls
DIISManager::add_entry : 0.033u 0.000s 0.006w 12 calls
DIISManager::extrapolate : 0.067u 0.000s 0.012w 12 calls
bMatrix setup : 0.017u 0.000s 0.005w 12 calls
bMatrix pseudoinverse : 0.000u 0.000s 0.001w 12 calls
New vector : 0.050u 0.000s 0.006w 12 calls
HF: Form C : 0.450u 0.000s 0.070w 12 calls
ccenergy : 2424.967u 186.550s 566.725w 1 calls
F build : 136.383u 4.583s 41.615w 16 calls
Wmbej build : 548.467u 27.967s 115.441w 16 calls
C->Wmbej : 14.217u 2.383s 3.686w 16 calls
F->Wmbej : 80.650u 17.033s 28.530w 16 calls
E->Wmbej : 49.567u 6.550s 11.823w 16 calls
X->Wmbej : 399.383u 0.800s 67.858w 16 calls
Z : 158.083u 8.367s 30.489w 16 calls
T2 Build : 1281.283u 121.933s 292.330w 16 calls
BT2 : 561.383u 66.750s 144.104w 16 calls
ABCD:new : 561.383u 66.750s 144.104w 16 calls
ABCD:S : 251.633u 32.667s 68.131w 16 calls
ABCD:A : 265.217u 28.950s 64.437w 16 calls
ABCD:axpy : 21.050u 2.017s 6.580w 16 calls
FT2 : 59.450u 8.383s 10.405w 16 calls
WmbejT2 : 336.950u 16.133s 65.171w 16 calls
CT2 : 168.867u 19.583s 33.428w 16 calls
cctriples : 7531.133u 496.583s 1325.860w 1 calls
ET_RHF : 7530.833u 496.567s 1325.732w 1 calls
--------------------------------------------------------------------------------------
Total PK formation time : 163.383u 0.983s 30.992w 1 calls
HF: Form core H : 0.000u 0.000s 0.008w 1 calls
HF: Form S/X : 0.050u 0.000s 0.006w 1 calls
HF: Guess : 5.083u 0.000s 0.763w 1 calls
| SAD Guess : 4.917u 0.000s 0.738w 1 calls
HF: Form G : 48.783u 0.000s 21.467w 13 calls
| JK: D : 0.000u 0.000s 0.001w 13 calls
| JK: USO2AO : 0.067u 0.000s 0.015w 13 calls
| JK: JK : 48.533u 0.000s 21.425w 13 calls
| | PK computes JK : 48.533u 0.000s 21.425w 13 calls
| JK: AO2USO : 0.167u 0.000s 0.024w 13 calls
HF: Form F : 0.017u 0.000s 0.001w 13 calls
HF: Form D : 0.000u 0.000s 0.001w 13 calls
HF: DIIS : 0.217u 0.000s 0.033w 12 calls
| DIISManager::add_entry : 0.033u 0.000s 0.006w 12 calls
| DIISManager::extrapolate : 0.067u 0.000s 0.012w 12 calls
| | bMatrix setup : 0.017u 0.000s 0.005w 12 calls
| | bMatrix pseudoinverse : 0.000u 0.000s 0.001w 12 calls
| | New vector : 0.050u 0.000s 0.006w 12 calls
HF: Form C : 0.450u 0.000s 0.070w 12 calls
ccenergy : 2424.967u 186.550s 566.725w 1 calls
| F build : 136.383u 4.583s 41.615w 16 calls
| Wmbej build : 548.467u 27.967s 115.441w 16 calls
| | C->Wmbej : 14.217u 2.383s 3.686w 16 calls
| | F->Wmbej : 80.650u 17.033s 28.530w 16 calls
| | E->Wmbej : 49.567u 6.550s 11.823w 16 calls
| | X->Wmbej : 399.383u 0.800s 67.858w 16 calls
| Z : 158.083u 8.367s 30.489w 16 calls
| T2 Build : 1281.283u 121.933s 292.330w 16 calls
| | BT2 : 561.383u 66.750s 144.104w 16 calls
| | | ABCD:new : 561.383u 66.750s 144.104w 16 calls
| | | | ABCD:S : 251.633u 32.667s 68.131w 16 calls
| | | | ABCD:A : 265.217u 28.950s 64.437w 16 calls
| | | | ABCD:axpy : 21.050u 2.017s 6.580w 16 calls
| | FT2 : 59.450u 8.383s 10.405w 16 calls
| | WmbejT2 : 336.950u 16.133s 65.171w 16 calls
| | CT2 : 168.867u 19.583s 33.428w 16 calls
cctriples : 7531.133u 496.583s 1325.860w 1 calls
| ET_RHF : 7530.833u 496.567s 1325.732w 1 calls
**************************************************************************************
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