Hello,
I was just wondering what are the 4 columns I get in my output and what do they represent.
Below is the content of the timer.dat file. I apologize for the size but I cannot upload a document as a new user.
Thank you for your help,
Mirna
timer.dat :
Host: glados
Timers On : Mon Oct 15 11:33:13 2018
Timers Off: Mon Oct 15 16:35:25 2018
Wall Time: 18131.96 seconds
#column 1 column 2 column 3 column 4 column5
JK: (A|Q)^-1 : 206.400u 179.617s 132.066w 129 calls
JK: (A|mn) : 2531.767u 5.933s 1523.118w 297 calls
JK: (Q|mn) : 2738.150u 8.383s 1648.373w 297 calls
JK: (Q|mn) Write : 1.100u 136.067s 82.413w 297 calls
HF: Form H : 1.550u 1.017s 67.366w 129 calls
HF: Form S/X : 30.233u 0.650s 18.564w 129 calls
HF: Guess : 137.167u 5.733s 86.075w 129 calls
SAD Guess : 136.200u 5.517s 85.309w 129 calls
HF: Form G : 11481.467u 1978.000s 8237.641w 1432 calls
JK: D : 2.567u 0.067s 1.546w 1432 calls
JK: USO2AO : 1.850u 0.000s 1.246w 1432 calls
JK: JK : 11473.000u 1976.617s 8231.427w 1432 calls
JK: (Q|mn) Read : 8.600u 945.283s 572.565w 4031 calls
JK: J : 652.933u 3.617s 393.655w 4031 calls
JK: J1 : 303.550u 1.417s 183.431w 4031 calls
JK: J2 : 335.617u 1.133s 201.840w 4031 calls
JK: K : 10666.883u 24.550s 6416.902w 4031 calls
JK: K1 : 9050.733u 22.117s 5445.374w 4031 calls
JK: K2 : 1614.533u 2.267s 970.245w 4031 calls
JK: AO2USO : 0.017u 0.017s 0.003w 1432 calls
HF: Form F : 2.033u 0.517s 1.604w 1432 calls
HF: DIIS : 134.483u 21.717s 101.947w 1432 calls
DIISManager::add_entry : 2.200u 6.367s 13.416w 1303 calls
DIISManager::extrapolate : 7.533u 14.167s 13.221w 1174 calls
bMatrix setup : 1.600u 8.150s 5.992w 1174 calls
bMatrix pseudoinverse : 0.150u 0.017s 0.111w 1174 calls
New vector : 5.750u 6.000s 7.098w 1174 calls
HF: Form C : 361.183u 0.733s 217.135w 1432 calls
HF: Form D : 1.550u 0.050s 0.944w 1432 calls
DFMP2 Singles : 6.067u 0.017s 3.651w 129 calls
DFMP2 Aia : 5110.450u 154.933s 3175.607w 129 calls
DFMP2 (A|mn) : 4271.900u 8.967s 2569.185w 645 calls
DFMP2 (A|mn)C_mi : 254.467u 6.867s 156.865w 645 calls
DFMP2 (A|mi)C_na : 187.650u 0.750s 113.157w 645 calls
DFMP2 Aia Write : 0.333u 20.467s 12.452w 645 calls
DFMP2 Qia : 654.850u 74.750s 453.506w 129 calls
DFMP2 Metric : 311.200u 4.783s 189.633w 129 calls
DFMP2 Aia Read : 0.317u 10.417s 6.360w 129 calls
DFMP2 (Q|A)(A|ia) : 337.783u 1.300s 203.548w 129 calls
DFMP2 Qia Write : 0.133u 20.083s 12.155w 129 calls
DFMP2 Energy : 2197.583u 62.617s 1375.107w 129 calls
DFMP2 Qia Read : 4.200u 10.250s 8.626w 258 calls
-----------------------------------------------------------
JK: (A|Q)^-1 : 206.400u 179.617s 132.066w 129 calls
JK: (A|mn) : 2531.767u 5.933s 1523.118w 297 calls
JK: (Q|mn) : 2738.150u 8.383s 1648.373w 297 calls
JK: (Q|mn) Write : 1.100u 136.067s 82.413w 297 calls
HF: Form H : 1.550u 1.017s 67.366w 129 calls
HF: Form S/X : 30.233u 0.650s 18.564w 129 calls
HF: Guess : 137.167u 5.733s 86.075w 129 calls
| SAD Guess : 136.200u 5.517s 85.309w 129 calls
HF: Form G : 11481.467u 1978.000s 8237.641w 1432 calls
| JK: D : 2.567u 0.067s 1.546w 1432 calls
| JK: USO2AO : 1.850u 0.000s 1.246w 1432 calls
| JK: JK : 11473.000u 1976.617s 8231.427w 1432 calls
| | JK: (Q|mn) Read : 8.600u 945.283s 572.565w 4031 calls
| | JK: J : 652.933u 3.617s 393.655w 4031 calls
| | | JK: J1 : 303.550u 1.417s 183.431w 4031 calls
| | | JK: J2 : 335.617u 1.133s 201.840w 4031 calls
| | JK: K : 10666.883u 24.550s 6416.902w 4031 calls
| | | JK: K1 : 9050.733u 22.117s 5445.374w 4031 calls
| | | JK: K2 : 1614.533u 2.267s 970.245w 4031 calls
| JK: AO2USO : 0.017u 0.017s 0.003w 1432 calls
HF: Form F : 2.033u 0.517s 1.604w 1432 calls
HF: DIIS : 134.483u 21.717s 101.947w 1432 calls
| DIISManager::add_entry : 2.200u 6.367s 13.416w 1303 calls
| DIISManager::extrapolate : 7.533u 14.167s 13.221w 1174 calls
| | bMatrix setup : 1.600u 8.150s 5.992w 1174 calls
| | bMatrix pseudoinverse : 0.150u 0.017s 0.111w 1174 calls
| | New vector : 5.750u 6.000s 7.098w 1174 calls
HF: Form C : 361.183u 0.733s 217.135w 1432 calls
HF: Form D : 1.550u 0.050s 0.944w 1432 calls
DFMP2 Singles : 6.067u 0.017s 3.651w 129 calls
DFMP2 Aia : 5110.450u 154.933s 3175.607w 129 calls
| DFMP2 (A|mn) : 4271.900u 8.967s 2569.185w 645 calls
| DFMP2 (A|mn)C_mi : 254.467u 6.867s 156.865w 645 calls
| DFMP2 (A|mi)C_na : 187.650u 0.750s 113.157w 645 calls
| DFMP2 Aia Write : 0.333u 20.467s 12.452w 645 calls
DFMP2 Qia : 654.850u 74.750s 453.506w 129 calls
| DFMP2 Metric : 311.200u 4.783s 189.633w 129 calls
| DFMP2 Aia Read : 0.317u 10.417s 6.360w 129 calls
| DFMP2 (Q|A)(A|ia) : 337.783u 1.300s 203.548w 129 calls
| DFMP2 Qia Write : 0.133u 20.083s 12.155w 129 calls
DFMP2 Energy : 2197.583u 62.617s 1375.107w 129 calls
| DFMP2 Qia Read : 4.200u 10.250s 8.626w 258 calls
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