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2021-06-21 14:01:29 +02:00
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Task server running : tcp://10.131.9.13:41279
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Task server running : tcp://10.131.9.38:41279
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012680 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000419 s ] [ CPU TIME: 0.032110 s ] <<<<< ..
Task server running : tcp://10.131.9.36:41279
Task server running : tcp://10.131.9.15:41279
Task server running : tcp://10.131.9.35:41279
Task server running : tcp://10.131.9.14:41279
Task server running : tcp://10.131.9.34:41279
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
* mo_num 94
MO map initialized: 9970345
Task server running : tcp://10.131.9.16:41279
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
Task server running : tcp://10.131.9.33:41279
.. >>>>> [ RES MEM : 0.016373 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.080515 s ] [ CPU TIME: 1.708545 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012684 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000292 s ] [ CPU TIME: 0.033199 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.012676 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000228 s ] [ CPU TIME: 0.032135 s ] <<<<< ..
* mo_num 94
* mo_num 94
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.094870 s ] [ CPU TIME: 3.534319 s ] <<<<< ..
* N_int 2
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
MO map initialized: 9970345
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
MO map initialized: 9970345
Date: 22/05/2021 14:44:02
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : tetrazine
.. >>>>> [ RES MEM : 0.016335 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.077598 s ] [ CPU TIME: 4.952369 s ] <<<<< ..
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ WALL TIME: 0.162851 s ] [ CPU TIME: 12.168230 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
Task server running : tcp://10.131.9.37:41279
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016304 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ WALL TIME: 0.091169 s ] [ CPU TIME: 6.243890 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.012684 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000291 s ] [ CPU TIME: 0.034395 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.012684 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000291 s ] [ CPU TIME: 0.034293 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012676 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000276 s ] [ CPU TIME: 0.033864 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.012676 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000270 s ] [ CPU TIME: 0.034197 s ] <<<<< ..
* mo_num 94
* mo_num 94
* mo_num 94
* mo_num 94
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012676 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000273 s ] [ CPU TIME: 0.034836 s ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
* mo_num 94
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.112808 s ] [ CPU TIME: 9.426815 s ] <<<<< ..
* N_int 2
.. >>>>> [ RES MEM : 0.016499 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.113239 s ] [ CPU TIME: 9.049773 s ] <<<<< ..
* N_int 2
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.204688 s ] [ CPU TIME: 17.481920 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.126104 s ] [ CPU TIME: 11.116569 s ] <<<<< ..
MO map initialized: 9970345
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
MO map initialized: 9970345
MO map initialized: 9970345
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016331 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016499 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.045437 s ] [ CPU TIME: 1.046573 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.137411 s ] [ CPU TIME: 12.121092 s ] <<<<< ..
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
MO map initialized: 9970345
MO map initialized: 9970345
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016331 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.071921 s ] [ CPU TIME: 4.365482 s ] <<<<< ..
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016312 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ WALL TIME: 0.068322 s ] [ CPU TIME: 2.626660 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016750 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.251685 s ] [ CPU TIME: 23.445789 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016338 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.169453 s ] [ CPU TIME: 16.622664 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.076216 s ] [ CPU TIME: 4.708114 s ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
AO map initialized : 12753775
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
Providing the AO integrals
.. >>>>> [ RES MEM : 0.016327 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ WALL TIME: 0.078583 s ] [ CPU TIME: 3.475833 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.016499 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.173766 s ] [ CPU TIME: 16.740073 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.101601 s ] [ CPU TIME: 8.178718 s ] <<<<< ..
* N_int 2
.. >>>>> [ RES MEM : 0.016525 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.102268 s ] [ CPU TIME: 8.218446 s ] <<<<< ..
* N_int 2
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016525 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.107907 s ] [ CPU TIME: 8.935316 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016750 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.288816 s ] [ CPU TIME: 28.160819 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016705 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.203692 s ] [ CPU TIME: 20.532629 s ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012676 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000267 s ] [ CPU TIME: 0.031996 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016689 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.204637 s ] [ CPU TIME: 21.086742 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016525 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ WALL TIME: 0.111396 s ] [ CPU TIME: 9.376680 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016705 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ WALL TIME: 0.205086 s ] [ CPU TIME: 20.710311 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.113249 s ] [ CPU TIME: 9.657217 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016689 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ WALL TIME: 0.205948 s ] [ CPU TIME: 21.253592 s ] <<<<< ..
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.113667 s ] [ CPU TIME: 9.464909 s ] <<<<< ..
* N_int 2
* mo_num 94
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016491 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.117102 s ] [ CPU TIME: 10.148394 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.116649 s ] [ CPU TIME: 10.041441 s ] <<<<< ..
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.117322 s ] [ CPU TIME: 9.929717 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.118356 s ] [ CPU TIME: 10.256319 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.121032 s ] [ CPU TIME: 10.399782 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016705 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016750 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.215536 s ] [ CPU TIME: 22.036580 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.122131 s ] [ CPU TIME: 10.738401 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.300937 s ] [ CPU TIME: 29.700474 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.123701 s ] [ CPU TIME: 10.981834 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016689 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.216157 s ] [ CPU TIME: 22.548684 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.125100 s ] [ CPU TIME: 11.160425 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.127086 s ] [ CPU TIME: 11.412771 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.126270 s ] [ CPU TIME: 11.062395 s ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016487 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.128752 s ] [ CPU TIME: 9.849700 s ] <<<<< ..
* N_int 2
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.128006 s ] [ CPU TIME: 11.283304 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016735 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.130050 s ] [ CPU TIME: 11.541932 s ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ RES MEM : 0.016487 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.132827 s ] [ CPU TIME: 10.364904 s ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016487 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.136271 s ] [ CPU TIME: 10.806032 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ RES MEM : 0.016811 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.229072 s ] [ CPU TIME: 24.156525 s ] <<<<< ..
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016861 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016869 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016815 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.135740 s ] [ CPU TIME: 12.420287 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.314592 s ] [ CPU TIME: 31.383374 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.137379 s ] [ CPU TIME: 12.675868 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016827 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.231059 s ] [ CPU TIME: 23.969358 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.144549 s ] [ CPU TIME: 11.852387 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.146198 s ] [ CPU TIME: 12.062539 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016506 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.140517 s ] [ CPU TIME: 11.795969 s ] <<<<< ..
* N_int 2
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016693 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.147654 s ] [ CPU TIME: 12.247894 s ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016506 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.143887 s ] [ CPU TIME: 12.224747 s ] <<<<< ..
MO map initialized: 9970345
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016815 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.153111 s ] [ CPU TIME: 12.906271 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016270 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ WALL TIME: 0.042066 s ] [ CPU TIME: 0.423749 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.016506 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.148870 s ] [ CPU TIME: 12.857047 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016857 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016903 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.158115 s ] [ CPU TIME: 15.291935 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.156689 s ] [ CPU TIME: 15.067462 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016911 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.335639 s ] [ CPU TIME: 34.032645 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016857 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016869 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.158731 s ] [ CPU TIME: 13.600122 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.250518 s ] [ CPU TIME: 26.417717 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016716 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.161080 s ] [ CPU TIME: 14.401730 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016716 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.162511 s ] [ CPU TIME: 14.586235 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016716 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016434 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.060240 s ] [ CPU TIME: 2.730132 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.166025 s ] [ CPU TIME: 15.031677 s ] <<<<< ..
* N_int 2
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016857 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.176006 s ] [ CPU TIME: 17.340021 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016434 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.066451 s ] [ CPU TIME: 3.517505 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016838 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.175176 s ] [ CPU TIME: 16.145117 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016434 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.073964 s ] [ CPU TIME: 4.474631 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016880 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.182607 s ] [ CPU TIME: 17.071768 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016899 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.190125 s ] [ CPU TIME: 19.109274 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016907 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.190165 s ] [ CPU TIME: 17.985926 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016884 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.196498 s ] [ CPU TIME: 18.337933 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016895 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016930 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016937 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.194965 s ] [ CPU TIME: 19.881229 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016884 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.288379 s ] [ CPU TIME: 31.171097 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.373838 s ] [ CPU TIME: 38.822978 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.196691 s ] [ CPU TIME: 20.133403 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.016926 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.199300 s ] [ CPU TIME: 20.214493 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.016930 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016907 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016884 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.210880 s ] [ CPU TIME: 21.903094 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016884 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.206576 s ] [ CPU TIME: 20.070521 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016926 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.212701 s ] [ CPU TIME: 20.394850 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016937 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016895 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.212629 s ] [ CPU TIME: 22.157905 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.211363 s ] [ CPU TIME: 21.747072 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.304550 s ] [ CPU TIME: 33.225219 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.389931 s ] [ CPU TIME: 40.869015 s ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ RES MEM : 0.016853 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.317599 s ] [ CPU TIME: 35.376514 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016880 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.322549 s ] [ CPU TIME: 35.955657 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.017082 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.017105 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.017063 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.225133 s ] [ CPU TIME: 22.417499 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.229836 s ] [ CPU TIME: 24.085362 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.231307 s ] [ CPU TIME: 22.754209 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.017117 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.017063 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.017105 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.408566 s ] [ CPU TIME: 43.228675 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.231325 s ] [ CPU TIME: 24.525867 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.229842 s ] [ CPU TIME: 24.301657 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.017075 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.323424 s ] [ CPU TIME: 35.616439 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016880 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.324665 s ] [ CPU TIME: 36.225014 s ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012680 GB ] [ VIRT MEM : 0.158424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000267 s ] [ CPU TIME: 0.031924 s ] <<<<< ..
* mo_num 94
.. >>>>> [ RES MEM : 0.016640 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.144440 s ] [ CPU TIME: 13.420434 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016640 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.146538 s ] [ CPU TIME: 13.687919 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016640 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.148799 s ] [ CPU TIME: 13.975267 s ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ RES MEM : 0.017059 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.356586 s ] [ CPU TIME: 40.274815 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016766 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.155503 s ] [ CPU TIME: 14.780947 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016808 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.163337 s ] [ CPU TIME: 15.753041 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016834 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.170499 s ] [ CPU TIME: 16.619600 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
MO map initialized: 9970345
.. >>>>> [ RES MEM : 0.016834 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.174426 s ] [ CPU TIME: 17.118417 s ] <<<<< ..
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ RES MEM : 0.016354 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.048813 s ] [ CPU TIME: 1.036799 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.017014 GB ] [ VIRT MEM : 8.601646 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.183435 s ] [ CPU TIME: 18.254492 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019558 GB ] [ VIRT MEM : 8.765968 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019592 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.491796 s ] [ CPU TIME: 49.432676 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.308660 s ] [ CPU TIME: 28.531585 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019592 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.502102 s ] [ CPU TIME: 50.743967 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019550 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.426498 s ] [ CPU TIME: 43.701442 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019558 GB ] [ VIRT MEM : 8.765968 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.329601 s ] [ CPU TIME: 31.197035 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019581 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.334107 s ] [ CPU TIME: 33.133422 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019539 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.336278 s ] [ CPU TIME: 33.561384 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.093538 s ] [ CPU TIME: 6.717327 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019581 GB ] [ VIRT MEM : 8.758125 GB ] <<<<< ..
* N_int 2
.. >>>>> [ WALL TIME: 0.335888 s ] [ CPU TIME: 33.427076 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019539 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ WALL TIME: 0.338530 s ] [ CPU TIME: 30.958051 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019760 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ WALL TIME: 0.430973 s ] [ CPU TIME: 44.275194 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019810 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.337832 s ] [ CPU TIME: 33.610525 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.019535 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.432199 s ] [ CPU TIME: 45.260319 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019768 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.343368 s ] [ CPU TIME: 34.466288 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019535 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.436471 s ] [ CPU TIME: 45.808487 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019840 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.348475 s ] [ CPU TIME: 34.962987 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019764 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ WALL TIME: 0.350905 s ] [ CPU TIME: 32.533594 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019794 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.443341 s ] [ CPU TIME: 45.846715 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.108074 s ] [ CPU TIME: 8.565542 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019794 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.351664 s ] [ CPU TIME: 35.520680 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019848 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019814 GB ] [ VIRT MEM : 8.758125 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.529106 s ] [ CPU TIME: 54.175873 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.350649 s ] [ CPU TIME: 35.308701 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ RES MEM : 0.019783 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ WALL TIME: 0.444455 s ] [ CPU TIME: 46.823021 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016541 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.111738 s ] [ CPU TIME: 9.031629 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ RES MEM : 0.019791 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019779 GB ] [ VIRT MEM : 8.765968 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.356166 s ] [ CPU TIME: 33.203030 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.350232 s ] [ CPU TIME: 33.817757 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019848 GB ] [ VIRT MEM : 8.758125 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.355205 s ] [ CPU TIME: 35.888127 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ RES MEM : 0.016758 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.118866 s ] [ CPU TIME: 9.931152 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016758 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.121102 s ] [ CPU TIME: 10.214830 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016758 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.122989 s ] [ CPU TIME: 10.454915 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019806 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.459731 s ] [ CPU TIME: 47.929199 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019489 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ WALL TIME: 0.261710 s ] [ CPU TIME: 23.299240 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019852 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.372073 s ] [ CPU TIME: 37.960395 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019855 GB ] [ VIRT MEM : 8.758125 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019855 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.372444 s ] [ CPU TIME: 38.078267 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.551017 s ] [ CPU TIME: 56.958156 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019791 GB ] [ VIRT MEM : 8.765968 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019794 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019802 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.367989 s ] [ CPU TIME: 36.073811 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.465958 s ] [ CPU TIME: 49.554552 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.374132 s ] [ CPU TIME: 35.485827 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019806 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.374083 s ] [ CPU TIME: 38.368665 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016876 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.137488 s ] [ CPU TIME: 12.249160 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019684 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.340043 s ] [ CPU TIME: 33.250101 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.016918 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.263974 s ] [ CPU TIME: 28.304980 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016945 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.271503 s ] [ CPU TIME: 29.217694 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.016945 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.274307 s ] [ CPU TIME: 29.575786 s ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ RES MEM : 0.019855 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019806 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.699762 s ] [ CPU TIME: 75.847993 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
.. >>>>> [ RES MEM : 0.019852 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ WALL TIME: 0.614485 s ] [ CPU TIME: 67.584475 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ WALL TIME: 0.521123 s ] [ CPU TIME: 56.888926 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ RES MEM : 0.017124 GB ] [ VIRT MEM : 8.605553 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.280839 s ] [ CPU TIME: 30.398636 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019794 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.626565 s ] [ CPU TIME: 69.953261 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
.. >>>>> [ RES MEM : 0.019855 GB ] [ VIRT MEM : 8.758125 GB ] <<<<< ..
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ WALL TIME: 0.533407 s ] [ CPU TIME: 58.519704 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ RES MEM : 0.019802 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019806 GB ] [ VIRT MEM : 8.754219 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.019791 GB ] [ VIRT MEM : 8.765968 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.543757 s ] [ CPU TIME: 58.396063 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
.. >>>>> [ WALL TIME: 0.549838 s ] [ CPU TIME: 57.798487 s ] <<<<< ..
.. >>>>> [ WALL TIME: 0.549667 s ] [ CPU TIME: 60.665713 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
Nuclear Coordinates (Angstroms)
N 7.000000 0.000000 1.194211 0.661330
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
================ ============ ============ ============ ============
Atom Charge X Y Z
C 6.000000 0.000000 0.000000 1.260543
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
N 7.000000 0.000000 -1.194211 0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ RES MEM : 0.019756 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.444077 s ] [ CPU TIME: 46.462976 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ RES MEM : 0.019764 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.449595 s ] [ CPU TIME: 47.163556 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019764 GB ] [ VIRT MEM : 8.758141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.457467 s ] [ CPU TIME: 48.164774 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019600 GB ] [ VIRT MEM : 8.762047 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.401794 s ] [ CPU TIME: 41.052205 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019825 GB ] [ VIRT MEM : 8.762047 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.405308 s ] [ CPU TIME: 41.503242 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019852 GB ] [ VIRT MEM : 8.762047 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.409960 s ] [ CPU TIME: 42.094801 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ RES MEM : 0.019867 GB ] [ VIRT MEM : 8.762047 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.537219 s ] [ CPU TIME: 58.256689 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019867 GB ] [ VIRT MEM : 8.762047 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.629130 s ] [ CPU TIME: 69.931225 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 0.000000 1.260543
C 6.000000 0.000000 0.000000 -1.260543
N 7.000000 0.000000 1.194211 0.661330
N 7.000000 0.000000 -1.194211 0.661330
N 7.000000 0.000000 1.194211 -0.661330
N 7.000000 0.000000 -1.194211 -0.661330
H 1.000000 0.000000 0.000000 2.338174
H 1.000000 0.000000 0.000000 -2.338174
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0776 Angstrom
Sorting the map
Sorting the map
Sorting the map
Sorting the map
Sorting the map
Sorting the map
Sorting the map
Sorting the map
Sorting the map
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 321.044759000000 s
wall time : 2.78827095031738 s ( x 115.141162649009 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.116581 GB ] [ VIRT MEM : 8.897213 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.976973 s ] [ CPU TIME: 337.713530 s ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 318.320077000000 s
wall time : 2.77763605117798 s ( x 114.601074847442 )
AO -> MO integrals transformation
---------------------------------
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 317.430733000000 s
wall time : 2.77362513542175 s ( x 114.446155302718 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.121822 GB ] [ VIRT MEM : 8.900154 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.892047 s ] [ CPU TIME: 327.743639 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.116821 GB ] [ VIRT MEM : 8.900154 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.893672 s ] [ CPU TIME: 327.623527 s ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 318.594671000000 s
wall time : 2.81745696067810 s ( x 113.078806685062 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.116280 GB ] [ VIRT MEM : 8.897213 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.993187 s ] [ CPU TIME: 335.376442 s ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 312.865087000000 s
wall time : 2.78248405456543 s ( x 112.440927194770 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ RES MEM : 0.117565 GB ] [ VIRT MEM : 8.899174 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.905957 s ] [ CPU TIME: 323.316167 s ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
Read mo_coef
Buffers : 29.37022 MB / core
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 326.818685000000 s
wall time : 2.89035487174988 s ( x 113.072165703354 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 312.666279000000 s
wall time : 2.78291702270508 s ( x 112.351994848944 )
AO -> MO integrals transformation
---------------------------------
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ RES MEM : 0.116669 GB ] [ VIRT MEM : 8.898193 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.098674 s ] [ CPU TIME: 344.349888 s ] <<<<< ..
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 313.015616000000 s
wall time : 2.76726293563843 s ( x 113.113796296262 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ RES MEM : 0.118683 GB ] [ VIRT MEM : 8.900154 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.923582 s ] [ CPU TIME: 323.516250 s ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
Read mo_coef
Buffers : 29.37022 MB / core
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 315.626800000000 s
wall time : 2.78364109992981 s ( x 113.386312627716 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.122177 GB ] [ VIRT MEM : 8.901119 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.863539 s ] [ CPU TIME: 320.142494 s ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ RES MEM : 0.739788 GB ] [ VIRT MEM : 11.114342 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.741402 GB ] [ VIRT MEM : 11.634094 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.739277 GB ] [ VIRT MEM : 11.087082 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.742901 GB ] [ VIRT MEM : 11.101627 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.737766 GB ] [ VIRT MEM : 11.084141 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.083659 s ] [ CPU TIME: 347.654723 s ] <<<<< ..
.. >>>>> [ WALL TIME: 3.168889 s ] [ CPU TIME: 351.090719 s ] <<<<< ..
.. >>>>> [ WALL TIME: 2.991668 s ] [ CPU TIME: 336.693567 s ] <<<<< ..
.. >>>>> [ WALL TIME: 2.990178 s ] [ CPU TIME: 336.850938 s ] <<<<< ..
.. >>>>> [ WALL TIME: 3.083599 s ] [ CPU TIME: 342.862239 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.742901 GB ] [ VIRT MEM : 11.101627 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.737766 GB ] [ VIRT MEM : 11.084141 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.739788 GB ] [ VIRT MEM : 11.114342 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.741402 GB ] [ VIRT MEM : 11.634094 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.992160 s ] [ CPU TIME: 337.106275 s ] <<<<< ..
.. >>>>> [ WALL TIME: 3.085615 s ] [ CPU TIME: 343.123869 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.739277 GB ] [ VIRT MEM : 11.087082 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.085856 s ] [ CPU TIME: 347.938135 s ] <<<<< ..
.. >>>>> [ WALL TIME: 3.171084 s ] [ CPU TIME: 351.374616 s ] <<<<< ..
.. >>>>> [ WALL TIME: 2.993932 s ] [ CPU TIME: 336.983493 s ] <<<<< ..
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.118969 GB ] [ VIRT MEM : 8.897213 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.994191 s ] [ CPU TIME: 325.923508 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ RES MEM : 0.740269 GB ] [ VIRT MEM : 11.087082 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.002657 s ] [ CPU TIME: 330.039310 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.740269 GB ] [ VIRT MEM : 11.087082 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.004202 s ] [ CPU TIME: 330.240039 s ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ RES MEM : 0.737675 GB ] [ VIRT MEM : 11.077904 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.042105 s ] [ CPU TIME: 335.650074 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
Sorting the map
.. >>>>> [ RES MEM : 0.737675 GB ] [ VIRT MEM : 11.077904 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.046107 s ] [ CPU TIME: 336.162051 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ RES MEM : 0.744930 GB ] [ VIRT MEM : 11.346184 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.939652 s ] [ CPU TIME: 326.896664 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
AO integrals provided:
Size of AO map : 73.1072196960449 MB
Number of AO integrals : 6529765
cpu time : 326.776960000000 s
wall time : 2.88178110122681 s ( x 113.394095013284 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.116684 GB ] [ VIRT MEM : 8.899174 GB ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ WALL TIME: 3.047264 s ] [ CPU TIME: 335.849772 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.740730 GB ] [ VIRT MEM : 11.635071 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.324803 s ] [ CPU TIME: 362.394043 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.744930 GB ] [ VIRT MEM : 11.346184 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.220052 s ] [ CPU TIME: 358.604590 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.740730 GB ] [ VIRT MEM : 11.635071 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.349678 s ] [ CPU TIME: 364.860402 s ] <<<<< ..
Read mo_coef
Buffers : 29.37022 MB / core
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ RES MEM : 0.738911 GB ] [ VIRT MEM : 11.112675 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.214828 s ] [ CPU TIME: 344.095886 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.738911 GB ] [ VIRT MEM : 11.112675 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 3.217198 s ] [ CPU TIME: 344.401112 s ] <<<<< ..
11.00000 % in 1.87475204467773 s 36.7782745361328 MB
4.000000 % in 2.13310408592224 s 47.7076873779297 MB
19.00000 % in 2.14366197586060 s 53.1334457397461 MB
19.00000 % in 1.91497802734375 s 58.7425003051758 MB
9.000000 % in 2.42478680610657 s 94.7114334106445 MB
11.00000 % in 2.39741587638855 s 61.6790733337402 MB
18.00000 % in 2.44482207298279 s 94.8040924072266 MB
5.000000 % in 2.51718115806580 s 94.7789916992188 MB
16.00000 % in 2.58434796333313 s 94.6483383178711 MB
Molecular integrals provided:
Size of MO map 94.9244651794434 MB
Number of MO integrals: 5182363
cpu time : 256.854606000000 s
wall time : 2.70589613914490 s ( x 94.9240446757021 )
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.509857 GB ] [ VIRT MEM : 9.393112 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.871609 s ] [ CPU TIME: 610.121882 s ] <<<<< ..
15.00000 % in 2.70988011360168 s 95.8321342468262 MB
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.509857 GB ] [ VIRT MEM : 9.393112 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.925590 s ] [ CPU TIME: 616.978304 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
Molecular integrals provided:
Size of MO map 94.7208366394043 MB
Number of MO integrals: 5186139
cpu time : 278.763526000000 s
wall time : 2.91272401809692 s ( x 95.7054373390771 )
.. >>>>> [ RES MEM : 0.509857 GB ] [ VIRT MEM : 9.393112 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.985755 s ] [ CPU TIME: 624.619972 s ] <<<<< ..
Molecular integrals provided:
Size of MO map 94.5586738586426 MB
Number of MO integrals: 5174137
cpu time : 278.071273000000 s
wall time : 2.90565800666809 s ( x 95.6999317751312 )
Molecular integrals provided:
.. >>>>> [ IO READ: read_wf ] <<<<< ..
Size of MO map 94.7814903259277 MB
Number of MO integrals: 5183205
cpu time : 284.764440000000 s
wall time : 2.92795801162720 s ( x 97.2570094479407 )
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.514614 GB ] [ VIRT MEM : 9.396042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.928436 s ] [ CPU TIME: 621.267216 s ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.515106 GB ] [ VIRT MEM : 9.396049 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.836449 s ] [ CPU TIME: 610.859012 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.519310 GB ] [ VIRT MEM : 9.405842 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.838749 s ] [ CPU TIME: 603.298079 s ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.515106 GB ] [ VIRT MEM : 9.396049 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.842157 s ] [ CPU TIME: 611.585262 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.514614 GB ] [ VIRT MEM : 9.396042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.936536 s ] [ CPU TIME: 622.296746 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.519310 GB ] [ VIRT MEM : 9.405842 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.845055 s ] [ CPU TIME: 604.098937 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
Molecular integrals provided:
Size of MO map 94.8515853881836 MB
Number of MO integrals: 5192655
cpu time : 280.711907000000 s
wall time : 2.98084807395935 s ( x 94.1718262840349 )
.. >>>>> [ RES MEM : 0.515106 GB ] [ VIRT MEM : 9.396049 GB ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ WALL TIME: 5.845908 s ] [ CPU TIME: 612.061291 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.514614 GB ] [ VIRT MEM : 9.396042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.940425 s ] [ CPU TIME: 622.791517 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.519516 GB ] [ VIRT MEM : 9.405842 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.849566 s ] [ CPU TIME: 604.672160 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.514614 GB ] [ VIRT MEM : 9.396042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.951103 s ] [ CPU TIME: 624.148358 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 0.519516 GB ] [ VIRT MEM : 9.405842 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.862562 s ] [ CPU TIME: 606.323055 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.515106 GB ] [ VIRT MEM : 9.396049 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.509857 GB ] [ VIRT MEM : 9.393112 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.039715 s ] [ CPU TIME: 625.002633 s ] <<<<< ..
.. >>>>> [ WALL TIME: 5.860983 s ] [ CPU TIME: 613.978671 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.536800 GB ] [ VIRT MEM : 9.431293 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.959171 s ] [ CPU TIME: 620.973305 s ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.536800 GB ] [ VIRT MEM : 9.431293 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.964147 s ] [ CPU TIME: 621.605375 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.514614 GB ] [ VIRT MEM : 9.396042 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.515106 GB ] [ VIRT MEM : 9.396049 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.519516 GB ] [ VIRT MEM : 9.405842 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.965425 s ] [ CPU TIME: 625.967289 s ] <<<<< ..
.. >>>>> [ WALL TIME: 5.872070 s ] [ CPU TIME: 615.386745 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.510029 GB ] [ VIRT MEM : 9.393112 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.050902 s ] [ CPU TIME: 625.003340 s ] <<<<< ..
.. >>>>> [ WALL TIME: 5.873840 s ] [ CPU TIME: 607.752516 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.536800 GB ] [ VIRT MEM : 9.431293 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.967931 s ] [ CPU TIME: 622.085632 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.536800 GB ] [ VIRT MEM : 9.431293 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.970138 s ] [ CPU TIME: 622.369017 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 0.536800 GB ] [ VIRT MEM : 9.431293 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.972233 s ] [ CPU TIME: 622.636095 s ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
* mo_label Canonical
* mo_label Canonical
* Number of determinants 1
* mo_label Canonical
* Number of determinants 1
* Number of determinants 1
* mo_label Canonical
* Number of determinants 1
Molecular integrals provided:
Size of MO map 94.6484146118164 MB
Number of MO integrals: 5172667
cpu time : 283.771064000000 s
wall time : 3.00657296180725 s ( x 94.3835614850422 )
* Dimension of the psi arrays 5242880
* Dimension of the psi arrays 5242880
* Dimension of the psi arrays 5242880
* Dimension of the psi arrays 5242880
* Dimension of the psi arrays 5242880
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.507908 GB ] [ VIRT MEM : 9.393101 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.910570 s ] [ CPU TIME: 613.025519 s ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.507908 GB ] [ VIRT MEM : 9.393101 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.916846 s ] [ CPU TIME: 613.823332 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.507908 GB ] [ VIRT MEM : 9.393101 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.931052 s ] [ CPU TIME: 615.628040 s ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
Molecular integrals provided:
Size of MO map 94.8601684570312 MB
Number of MO integrals: 5185488
cpu time : 287.029833000000 s
wall time : 3.02655696868896 s ( x 94.8370825229616 )
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.507908 GB ] [ VIRT MEM : 9.393101 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.949421 s ] [ CPU TIME: 617.961423 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.508022 GB ] [ VIRT MEM : 9.393101 GB ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ WALL TIME: 5.953094 s ] [ CPU TIME: 618.426642 s ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
.. >>>>> [ RES MEM : 0.549282 GB ] [ VIRT MEM : 9.442059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.955910 s ] [ CPU TIME: 613.567043 s ] <<<<< ..
* Dimension of the psi arrays 5242880
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.549282 GB ] [ VIRT MEM : 9.442059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.975129 s ] [ CPU TIME: 616.009613 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.575989 GB ] [ VIRT MEM : 9.474266 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.069976 s ] [ CPU TIME: 635.063348 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.549023 GB ] [ VIRT MEM : 9.436085 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.155603 s ] [ CPU TIME: 625.016950 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.554070 GB ] [ VIRT MEM : 9.439022 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.553791 GB ] [ VIRT MEM : 9.439014 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.977006 s ] [ CPU TIME: 628.723294 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.070445 s ] [ CPU TIME: 639.314109 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.558495 GB ] [ VIRT MEM : 9.448814 GB ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ WALL TIME: 5.986773 s ] [ CPU TIME: 622.107560 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.554070 GB ] [ VIRT MEM : 9.439022 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.987741 s ] [ CPU TIME: 630.091308 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.549023 GB ] [ VIRT MEM : 9.436085 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.167498 s ] [ CPU TIME: 625.017342 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.558495 GB ] [ VIRT MEM : 9.448814 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.575989 GB ] [ VIRT MEM : 9.474266 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.990608 s ] [ CPU TIME: 622.600329 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.082560 s ] [ CPU TIME: 636.666395 s ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.553791 GB ] [ VIRT MEM : 9.439014 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.547016 GB ] [ VIRT MEM : 9.436073 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.086250 s ] [ CPU TIME: 641.326076 s ] <<<<< ..
.. >>>>> [ WALL TIME: 5.994517 s ] [ CPU TIME: 623.700356 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.547016 GB ] [ VIRT MEM : 9.436073 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.996567 s ] [ CPU TIME: 623.965217 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.549480 GB ] [ VIRT MEM : 9.442059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.997880 s ] [ CPU TIME: 618.896972 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.549480 GB ] [ VIRT MEM : 9.442059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.009155 s ] [ CPU TIME: 620.331922 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 0.549480 GB ] [ VIRT MEM : 9.442059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.014314 s ] [ CPU TIME: 620.987525 s ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
* Dimension of the psi arrays 5242880
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.588467 GB ] [ VIRT MEM : 9.485031 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.034255 s ] [ CPU TIME: 623.532208 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.588467 GB ] [ VIRT MEM : 9.485031 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.038056 s ] [ CPU TIME: 624.018775 s ] <<<<< ..
Molecular integrals provided:
Size of MO map 96.1309967041016 MB
Number of MO integrals: 5168842
cpu time : 258.123222000000 s
wall time : 2.81138396263123 s ( x 91.8135784478253 )
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.529797 GB ] [ VIRT MEM : 9.414639 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.827973 s ] [ CPU TIME: 596.853510 s ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.529797 GB ] [ VIRT MEM : 9.414639 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.703354 GB ] [ VIRT MEM : 9.607952 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.855061 s ] [ CPU TIME: 600.294522 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.098503 s ] [ CPU TIME: 635.310424 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.710403 GB ] [ VIRT MEM : 9.610901 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.714828 GB ] [ VIRT MEM : 9.620693 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.732071 GB ] [ VIRT MEM : 9.646145 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.107814 s ] [ CPU TIME: 631.009793 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.109570 s ] [ CPU TIME: 625.495530 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.201482 s ] [ CPU TIME: 642.342984 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.705360 GB ] [ VIRT MEM : 9.607964 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.286902 s ] [ CPU TIME: 625.115559 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.709873 GB ] [ VIRT MEM : 9.610893 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.201941 s ] [ CPU TIME: 644.646033 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.529797 GB ] [ VIRT MEM : 9.414639 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.872648 s ] [ CPU TIME: 602.529840 s ] <<<<< ..
Molecular integrals provided:
Size of MO map 95.8351478576660 MB
Number of MO integrals: 5179788
cpu time : 303.080892000000 s
wall time : 3.19615483283997 s ( x 94.8267239389950 )
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.529797 GB ] [ VIRT MEM : 9.414639 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.888935 s ] [ CPU TIME: 604.598561 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.528179 GB ] [ VIRT MEM : 9.413662 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.126719 s ] [ CPU TIME: 630.776100 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 0.529797 GB ] [ VIRT MEM : 9.414639 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.890756 s ] [ CPU TIME: 604.830598 s ] <<<<< ..
.. >>>>> [ IO READ: n_states ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
.. >>>>> [ RES MEM : 0.528179 GB ] [ VIRT MEM : 9.413662 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.137315 s ] [ CPU TIME: 632.122895 s ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
* Dimension of the psi arrays 5242880
.. >>>>> [ RES MEM : 0.744804 GB ] [ VIRT MEM : 9.656910 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.149055 s ] [ CPU TIME: 634.264662 s ] <<<<< ..
Molecular integrals provided:
Size of MO map 92.1426162719727 MB
Number of MO integrals: 5156523
cpu time : 308.615180000000 s
wall time : 3.18282198905945 s ( x 96.9627522559622 )
.. >>>>> [ RES MEM : 0.528179 GB ] [ VIRT MEM : 9.413662 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.153125 s ] [ CPU TIME: 634.128566 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.528179 GB ] [ VIRT MEM : 9.413662 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.155322 s ] [ CPU TIME: 634.412396 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 0.524734 GB ] [ VIRT MEM : 9.402905 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.053913 s ] [ CPU TIME: 630.415459 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.528378 GB ] [ VIRT MEM : 9.413662 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.160439 s ] [ CPU TIME: 635.062491 s ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.568981 GB ] [ VIRT MEM : 9.457611 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.924452 s ] [ CPU TIME: 609.115768 s ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.568981 GB ] [ VIRT MEM : 9.457611 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.926884 s ] [ CPU TIME: 609.431994 s ] <<<<< ..
* Dimension of the psi arrays 5242880
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.524734 GB ] [ VIRT MEM : 9.402905 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.061147 s ] [ CPU TIME: 631.334825 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.524734 GB ] [ VIRT MEM : 9.402905 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.064959 s ] [ CPU TIME: 631.819883 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.524734 GB ] [ VIRT MEM : 9.402905 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.067002 s ] [ CPU TIME: 632.079487 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 0.524734 GB ] [ VIRT MEM : 9.402905 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.069665 s ] [ CPU TIME: 632.417719 s ] <<<<< ..
* mo_label Canonical
* Number of determinants 1
* Dimension of the psi arrays 5242880
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.567383 GB ] [ VIRT MEM : 9.456635 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.181713 s ] [ CPU TIME: 637.773303 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.567383 GB ] [ VIRT MEM : 9.456635 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.183822 s ] [ CPU TIME: 638.045663 s ] <<<<< ..
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.563927 GB ] [ VIRT MEM : 9.445877 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.090140 s ] [ CPU TIME: 635.029459 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.563927 GB ] [ VIRT MEM : 9.445877 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.091941 s ] [ CPU TIME: 635.262724 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.998482 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.439858 s ] [ CPU TIME: 640.388981 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 0.996250 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.998482 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.262867 s ] [ CPU TIME: 651.887931 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.440155 s ] [ CPU TIME: 640.428007 s ] <<<<< ..
* Number of selectors 1
* Number of generators 1
.. >>>>> [ RES MEM : 0.996250 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.263345 s ] [ CPU TIME: 651.953346 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.003380 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.262724 s ] [ CPU TIME: 642.979672 s ] <<<<< ..
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.003380 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.262987 s ] [ CPU TIME: 643.018533 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.007763 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.268401 s ] [ CPU TIME: 637.543263 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.007763 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.268664 s ] [ CPU TIME: 637.581434 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ RES MEM : 1.025116 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.362604 s ] [ CPU TIME: 654.857032 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.025116 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.725315 GB ] [ VIRT MEM : 9.629490 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.362862 s ] [ CPU TIME: 654.895899 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ WALL TIME: 6.027382 s ] [ CPU TIME: 617.886342 s ] <<<<< ..
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.002903 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.366356 s ] [ CPU TIME: 657.618218 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.002903 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.366642 s ] [ CPU TIME: 657.660535 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.003380 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.025116 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.998482 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.996250 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.274486 s ] [ CPU TIME: 644.477254 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.368126 s ] [ CPU TIME: 655.561746 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ WALL TIME: 6.453366 s ] [ CPU TIME: 642.107057 s ] <<<<< ..
Using 1/c_max^2 weight in selection
.. >>>>> [ WALL TIME: 6.276123 s ] [ CPU TIME: 653.575517 s ] <<<<< ..
# Total weight 1.000000
Using 1/c_max^2 weight in selection
# Total weight 1.000000
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.002903 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ WALL TIME: 6.368734 s ] [ CPU TIME: 657.926113 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.007763 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.281177 s ] [ CPU TIME: 639.170515 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ RES MEM : 0.723717 GB ] [ VIRT MEM : 9.628513 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.285653 s ] [ CPU TIME: 651.073713 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.037716 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.290726 s ] [ CPU TIME: 646.853254 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.037716 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.291026 s ] [ CPU TIME: 646.900079 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 0.996494 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.998726 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.293395 s ] [ CPU TIME: 655.771659 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.470709 s ] [ CPU TIME: 644.310772 s ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ RES MEM : 1.025360 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.386071 s ] [ CPU TIME: 657.844597 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003624 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ WALL TIME: 6.292502 s ] [ CPU TIME: 646.767088 s ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.037716 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.293138 s ] [ CPU TIME: 647.168669 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.003147 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.008007 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.386604 s ] [ CPU TIME: 660.197929 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.294952 s ] [ CPU TIME: 640.919269 s ] <<<<< ..
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.037960 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.294773 s ] [ CPU TIME: 647.376582 s ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ RES MEM : 0.720009 GB ] [ VIRT MEM : 9.617756 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.191210 s ] [ CPU TIME: 647.961353 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.025360 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.998726 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.996494 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.400775 s ] [ CPU TIME: 659.711998 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.008007 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.308746 s ] [ CPU TIME: 657.721222 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.037960 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.486003 s ] [ CPU TIME: 646.255688 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003147 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.308989 s ] [ CPU TIME: 642.703742 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.307567 s ] [ CPU TIME: 649.003204 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.025360 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.400797 s ] [ CPU TIME: 661.999380 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.998726 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.996494 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.037960 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.401076 s ] [ CPU TIME: 659.751146 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ RES MEM : 1.008007 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.309070 s ] [ CPU TIME: 657.762824 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ WALL TIME: 6.486319 s ] [ CPU TIME: 646.296904 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ RES MEM : 1.003147 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.307838 s ] [ CPU TIME: 649.035793 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ WALL TIME: 6.309291 s ] [ CPU TIME: 642.742752 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ WALL TIME: 6.401089 s ] [ CPU TIME: 662.038887 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ RES MEM : 0.996494 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.320624 s ] [ CPU TIME: 659.228729 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003147 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ WALL TIME: 6.412670 s ] [ CPU TIME: 663.508333 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.008007 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.321209 s ] [ CPU TIME: 644.254723 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 1.003624 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.328268 s ] [ CPU TIME: 651.308952 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003624 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.328588 s ] [ CPU TIME: 651.350111 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ RES MEM : 1.037960 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ RES MEM : 0.998726 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.331529 s ] [ CPU TIME: 652.045872 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.510094 s ] [ CPU TIME: 649.061627 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003624 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.331907 s ] [ CPU TIME: 651.770614 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 1.025360 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.425997 s ] [ CPU TIME: 662.913595 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 0.996494 GB ] [ VIRT MEM : 9.930237 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.025360 GB ] [ VIRT MEM : 9.968430 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.003624 GB ] [ VIRT MEM : 9.933186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.353226 s ] [ CPU TIME: 659.255981 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.003147 GB ] [ VIRT MEM : 9.933178 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.037960 GB ] [ VIRT MEM : 9.979195 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.351876 s ] [ CPU TIME: 654.308611 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.445277 s ] [ CPU TIME: 667.647859 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.445510 s ] [ CPU TIME: 665.392738 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.352154 s ] [ CPU TIME: 654.666622 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.008007 GB ] [ VIRT MEM : 9.942978 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.355489 s ] [ CPU TIME: 648.608830 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.998726 GB ] [ VIRT MEM : 9.930248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.532628 s ] [ CPU TIME: 649.062109 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.016579 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.387752 s ] [ CPU TIME: 664.134813 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.016579 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.388019 s ] [ CPU TIME: 664.178029 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.018173 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.016579 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.152839 s ] [ CPU TIME: 633.264146 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ WALL TIME: 6.390479 s ] [ CPU TIME: 664.489440 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.018173 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ WALL TIME: 6.153100 s ] [ CPU TIME: 633.303577 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.018173 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.155353 s ] [ CPU TIME: 633.587555 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ RES MEM : 1.016823 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.396090 s ] [ CPU TIME: 665.200965 s ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.016823 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.397415 s ] [ CPU TIME: 665.370685 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.016823 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.397714 s ] [ CPU TIME: 665.411270 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ RES MEM : 1.018417 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.161981 s ] [ CPU TIME: 634.431000 s ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.018417 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.166560 s ] [ CPU TIME: 635.011508 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.018417 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.166879 s ] [ CPU TIME: 635.055395 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ RES MEM : 1.016823 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ WALL TIME: 6.404958 s ] [ CPU TIME: 666.329483 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 1.018417 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.168592 s ] [ CPU TIME: 635.271323 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.016823 GB ] [ VIRT MEM : 9.950798 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.406758 s ] [ CPU TIME: 666.558449 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 1.018417 GB ] [ VIRT MEM : 9.951775 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.173990 s ] [ CPU TIME: 635.956888 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.013073 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.306260 s ] [ CPU TIME: 662.671962 s ] <<<<< ..
* Number of generators 1
.. >>>>> [ RES MEM : 1.013073 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.306536 s ] [ CPU TIME: 662.711845 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.013073 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.308822 s ] [ CPU TIME: 663.002516 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ RES MEM : 1.013317 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.311108 s ] [ CPU TIME: 663.291917 s ] <<<<< ..
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.013317 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.316759 s ] [ CPU TIME: 664.009804 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.013317 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.317049 s ] [ CPU TIME: 664.050114 s ] <<<<< ..
* Nuclear repulsion energy 212.8576743830178
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ RES MEM : 1.013317 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.319089 s ] [ CPU TIME: 664.307528 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 1.013317 GB ] [ VIRT MEM : 9.940041 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.321299 s ] [ CPU TIME: 664.587824 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.727661 GB ] [ VIRT MEM : 12.054958 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.526760 s ] [ CPU TIME: 676.657979 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.691082 GB ] [ VIRT MEM : 12.052021 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.712785 s ] [ CPU TIME: 672.065992 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.699921 GB ] [ VIRT MEM : 12.064751 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.539839 s ] [ CPU TIME: 672.166564 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.718899 GB ] [ VIRT MEM : 12.052010 GB ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ WALL TIME: 6.541238 s ] [ CPU TIME: 683.262280 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.751503 GB ] [ VIRT MEM : 12.090202 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.634769 s ] [ CPU TIME: 689.583687 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.728989 GB ] [ VIRT MEM : 12.100967 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.545117 s ] [ CPU TIME: 679.321882 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.727661 GB ] [ VIRT MEM : 12.054958 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.549661 s ] [ CPU TIME: 679.570626 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.751503 GB ] [ VIRT MEM : 12.090202 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699921 GB ] [ VIRT MEM : 12.064751 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.728989 GB ] [ VIRT MEM : 12.100967 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.551527 s ] [ CPU TIME: 673.657812 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.643517 s ] [ CPU TIME: 690.699648 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ WALL TIME: 6.550204 s ] [ CPU TIME: 679.972087 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.691082 GB ] [ VIRT MEM : 12.052021 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.718899 GB ] [ VIRT MEM : 12.052010 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.728924 s ] [ CPU TIME: 674.120142 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.551689 s ] [ CPU TIME: 684.594854 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.726982 GB ] [ VIRT MEM : 12.054951 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.644375 s ] [ CPU TIME: 693.127798 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.726982 GB ] [ VIRT MEM : 12.054951 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.646179 s ] [ CPU TIME: 693.362206 s ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.751503 GB ] [ VIRT MEM : 12.090202 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.674500 s ] [ CPU TIME: 693.689329 s ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.727234 GB ] [ VIRT MEM : 12.054951 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.675157 s ] [ CPU TIME: 697.043497 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.728989 GB ] [ VIRT MEM : 12.100967 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.582683 s ] [ CPU TIME: 683.107785 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.691082 GB ] [ VIRT MEM : 12.052021 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.718899 GB ] [ VIRT MEM : 12.052010 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.761390 s ] [ CPU TIME: 677.247218 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.584181 s ] [ CPU TIME: 687.646057 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.710388 GB ] [ VIRT MEM : 12.072571 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.746117 GB ] [ VIRT MEM : 12.073547 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.582357 s ] [ CPU TIME: 689.008756 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.344948 s ] [ CPU TIME: 657.810687 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.699921 GB ] [ VIRT MEM : 12.064751 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.610588 s ] [ CPU TIME: 679.236380 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.710388 GB ] [ VIRT MEM : 12.072571 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.727661 GB ] [ VIRT MEM : 12.054958 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.746117 GB ] [ VIRT MEM : 12.073547 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.608445 s ] [ CPU TIME: 692.278477 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.612850 s ] [ CPU TIME: 685.627864 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.371042 s ] [ CPU TIME: 661.129553 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.703556 GB ] [ VIRT MEM : 12.061813 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.510845 s ] [ CPU TIME: 688.807531 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.703556 GB ] [ VIRT MEM : 12.061813 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.521144 s ] [ CPU TIME: 690.120281 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.746117 GB ] [ VIRT MEM : 12.073547 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.710388 GB ] [ VIRT MEM : 12.072571 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.627080 s ] [ CPU TIME: 694.011925 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.389730 s ] [ CPU TIME: 662.950919 s ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.703556 GB ] [ VIRT MEM : 12.061813 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.528877 s ] [ CPU TIME: 690.982344 s ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ RES MEM : 1.736092 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699524 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737545 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.759060 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.705845 s ] [ CPU TIME: 698.603154 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.884475 s ] [ CPU TIME: 692.668064 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.799310 s ] [ CPU TIME: 709.382508 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.705704 s ] [ CPU TIME: 697.261144 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.799143 s ] [ CPU TIME: 712.537013 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.729485 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.708499 s ] [ CPU TIME: 703.245462 s ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ RES MEM : 1.705711 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.709919 s ] [ CPU TIME: 691.699847 s ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ RES MEM : 1.717003 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.717918 s ] [ CPU TIME: 705.285988 s ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ RES MEM : 1.711178 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ WALL TIME: 6.616796 s ] [ CPU TIME: 702.024313 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.754173 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.486465 s ] [ CPU TIME: 675.054204 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.737545 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699657 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.748523 s ] [ CPU TIME: 702.733724 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.927344 s ] [ CPU TIME: 698.146911 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.748808 s ] [ CPU TIME: 704.092739 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.842181 s ] [ CPU TIME: 714.859824 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.750139 s ] [ CPU TIME: 708.568346 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.750416 s ] [ CPU TIME: 696.880143 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.842174 s ] [ CPU TIME: 718.036159 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.717003 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.749159 s ] [ CPU TIME: 709.290185 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.851014 s ] [ CPU TIME: 715.983190 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.737545 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.757678 s ] [ CPU TIME: 705.219511 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699657 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.717003 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.759257 s ] [ CPU TIME: 698.003396 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.757549 s ] [ CPU TIME: 703.879547 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.850996 s ] [ CPU TIME: 719.157239 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.759166 s ] [ CPU TIME: 709.714033 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.753269 s ] [ CPU TIME: 709.811175 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.936428 s ] [ CPU TIME: 699.298403 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.711178 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.647822 s ] [ CPU TIME: 705.997277 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.754173 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.517231 s ] [ CPU TIME: 678.996827 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.711178 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.649620 s ] [ CPU TIME: 706.225798 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.754173 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.518940 s ] [ CPU TIME: 679.214439 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 1.737698 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.711819 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.805041 s ] [ CPU TIME: 709.942367 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.755379 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699974 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
* PT2 Energy denominator -294.6157430739187
.. >>>>> [ WALL TIME: 6.806846 s ] [ CPU TIME: 704.075494 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ WALL TIME: 6.695009 s ] [ CPU TIME: 712.024007 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ WALL TIME: 6.806724 s ] [ CPU TIME: 715.786249 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ WALL TIME: 6.898525 s ] [ CPU TIME: 725.224453 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ WALL TIME: 6.563335 s ] [ CPU TIME: 684.886578 s ] <<<<< ..
* PT2 Energy denominator -294.6157430739187
* PT2 Energy denominator -294.6157430739187
* PT2 Energy denominator -294.6157430739187
.. >>>>> [ WALL TIME: 6.984051 s ] [ CPU TIME: 705.379990 s ] <<<<< ..
Providing the one-electron integrals
Providing the one-electron integrals
* PT2 Energy denominator -294.6157430739187
* PT2 Energy denominator -294.6157430739187
* PT2 Energy denominator -294.6157430739187
.. >>>>> [ RES MEM : 1.737698 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.807286 s ] [ CPU TIME: 710.228064 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.711819 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.699730 s ] [ CPU TIME: 712.622624 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.699974 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.000628 s ] [ CPU TIME: 707.487348 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.915309 s ] [ CPU TIME: 727.355513 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ WALL TIME: 6.823615 s ] [ CPU TIME: 706.207747 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ WALL TIME: 6.823527 s ] [ CPU TIME: 717.920028 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ RES MEM : 1.755379 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.580634 s ] [ CPU TIME: 687.086369 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.711819 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.730640 s ] [ CPU TIME: 716.549964 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.699974 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.842364 s ] [ CPU TIME: 720.313042 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737698 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.019719 s ] [ CPU TIME: 709.913492 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.840976 s ] [ CPU TIME: 714.506875 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.842679 s ] [ CPU TIME: 708.629549 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.934393 s ] [ CPU TIME: 729.781523 s ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ RES MEM : 1.737698 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.711819 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.699974 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.737434 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.859006 s ] [ CPU TIME: 716.797258 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ WALL TIME: 7.037827 s ] [ CPU TIME: 712.213486 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ WALL TIME: 6.748880 s ] [ CPU TIME: 718.865798 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ WALL TIME: 6.952487 s ] [ CPU TIME: 732.078812 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.705853 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.729630 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.861487 s ] [ CPU TIME: 711.019835 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ WALL TIME: 6.861336 s ] [ CPU TIME: 722.723423 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.738495 GB ] [ VIRT MEM : 12.115059 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.969196 s ] [ CPU TIME: 734.204730 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ RES MEM : 1.706104 GB ] [ VIRT MEM : 12.124859 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.700462 GB ] [ VIRT MEM : 12.112129 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.878756 s ] [ CPU TIME: 713.214551 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ WALL TIME: 7.055972 s ] [ CPU TIME: 714.521940 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ RES MEM : 1.738022 GB ] [ VIRT MEM : 12.115067 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.877544 s ] [ CPU TIME: 719.153924 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ RES MEM : 1.712856 GB ] [ VIRT MEM : 12.121922 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.730347 GB ] [ VIRT MEM : 12.112118 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.767685 s ] [ CPU TIME: 721.257121 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.879389 s ] [ CPU TIME: 725.018226 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
* Number of active MOs 88
* Number of active MOs 88
* Number of active MOs 88
* Number of active MOs 88
* Number of active MOs 88
* Number of active MOs 88
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
.. >>>>> [ RES MEM : 1.755379 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.676658 s ] [ CPU TIME: 699.279885 s ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ RES MEM : 1.755379 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.678537 s ] [ CPU TIME: 699.518970 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.756851 GB ] [ VIRT MEM : 12.133656 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.688454 s ] [ CPU TIME: 700.782173 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
* Number of active MOs 88
pt2.00000085
pt2.00000085
pt2.00000085
pt2.00000085
pt2.00000085
pt2.00000085
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 1.717152 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.973452 s ] [ CPU TIME: 733.887406 s ] <<<<< ..
Providing the one-electron integrals
* PT2 Energy denominator -294.6157430739187
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.071808 s ] [ CPU TIME: 740.067632 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ WALL TIME: 6.978504 s ] [ CPU TIME: 729.304115 s ] <<<<< ..
Providing the one-electron integrals
* PT2 Energy denominator -294.6157430739187
* PT2 Energy denominator -294.6157430739187
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
.. >>>>> [ RES MEM : 1.717152 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.975497 s ] [ CPU TIME: 734.125570 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.980187 s ] [ CPU TIME: 729.494956 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ WALL TIME: 7.073677 s ] [ CPU TIME: 740.282000 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.075059 s ] [ CPU TIME: 740.458186 s ] <<<<< ..
.. >>>>> [ WALL TIME: 6.981725 s ] [ CPU TIME: 729.691060 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.717152 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.977379 s ] [ CPU TIME: 734.365106 s ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ RES MEM : 1.736237 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.983274 s ] [ CPU TIME: 729.888208 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.717152 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.759205 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.978957 s ] [ CPU TIME: 734.565721 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ WALL TIME: 7.077041 s ] [ CPU TIME: 740.708608 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.759846 GB ] [ VIRT MEM : 12.150311 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.717621 GB ] [ VIRT MEM : 12.132679 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.736996 GB ] [ VIRT MEM : 12.161076 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.089280 s ] [ CPU TIME: 742.268623 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ WALL TIME: 6.991406 s ] [ CPU TIME: 736.150767 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
.. >>>>> [ WALL TIME: 6.996030 s ] [ CPU TIME: 731.512230 s ] <<<<< ..
* Energy of state 1 -294.6157430739187
* S^2 of state 1 0.000000000000000
* Number of active MOs 88
* Number of active MOs 88
* Number of active MOs 88
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
Active MOs:
7 8 9 10 11 12
13 14 15 16 17 18
19 20 21 22 23 24
25 26 27 28 29 30
31 32 33 34 35 36
37 38 39 40 41 42
43 44 45 46 47 48
49 50 51 52 53 54
55 56 57 58 59 60
61 62 63 64 65 66
67 68 69 70 71 72
73 74 75 76 77 78
79 80 81 82 83 84
85 86 87 88 89 90
91 92 93 94
* Number of virtual MOs 0
* Number of inactive MOs 0
Switched to qp_run master : tcp://10.131.16.36:41279
pt2.00000085
pt2.00000085
pt2.00000085
pt2.00000085
.. >>>>> [ RES MEM : 1.752426 GB ] [ VIRT MEM : 12.854591 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.876690 s ] [ CPU TIME: 771.274251 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.773415 GB ] [ VIRT MEM : 12.835030 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.913425 s ] [ CPU TIME: 776.824783 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.773415 GB ] [ VIRT MEM : 12.835030 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.752426 GB ] [ VIRT MEM : 12.854591 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.923758 s ] [ CPU TIME: 772.961599 s ] <<<<< ..
.. >>>>> [ WALL TIME: 7.922174 s ] [ CPU TIME: 777.941915 s ] <<<<< ..
* Number of selectors 5242878
* Number of selectors 5242878
.. >>>>> [ RES MEM : 1.774029 GB ] [ VIRT MEM : 12.830120 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.051291 s ] [ CPU TIME: 791.617288 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.774029 GB ] [ VIRT MEM : 12.830120 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.120792 s ] [ CPU TIME: 793.691157 s ] <<<<< ..
* Number of selectors 5242878
.. >>>>> [ RES MEM : 1.750404 GB ] [ VIRT MEM : 12.835022 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7.977059 s ] [ CPU TIME: 798.750362 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.771557 GB ] [ VIRT MEM : 12.825230 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.094096 s ] [ CPU TIME: 808.843193 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.743595 GB ] [ VIRT MEM : 12.832069 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.277389 s ] [ CPU TIME: 774.002898 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.743595 GB ] [ VIRT MEM : 12.832069 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.294647 s ] [ CPU TIME: 774.545242 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.771557 GB ] [ VIRT MEM : 12.825230 GB ] <<<<< ..
.. >>>>> [ RES MEM : 1.750404 GB ] [ VIRT MEM : 12.835022 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.117538 s ] [ CPU TIME: 809.253181 s ] <<<<< ..
.. >>>>> [ WALL TIME: 8.005884 s ] [ CPU TIME: 799.322812 s ] <<<<< ..
* Number of selectors 5242878
* Number of selectors 5242878
* Number of selectors 5242878
* Broadcast time 1.187409162521362
* Target maximum memory (GB) 250
* Broadcast time 1.187719106674194
* Target maximum memory (GB) 250
* Broadcast time 1.192563056945801
* Broadcast time 1.192542076110840
* Broadcast time 1.192583084106445
* Target maximum memory (GB) 250
* Target maximum memory (GB) 250
* Target maximum memory (GB) 250
* Broadcast time 1.192738056182861
* Target maximum memory (GB) 250
.. >>>>> [ RES MEM : 1.796810 GB ] [ VIRT MEM : 12.846756 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.133358 s ] [ CPU TIME: 756.781893 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.796810 GB ] [ VIRT MEM : 12.846756 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.138791 s ] [ CPU TIME: 757.479374 s ] <<<<< ..
* Number of selectors 5242878
* Broadcast time 1.210342884063721
* Target maximum memory (GB) 250
.. >>>>> [ RES MEM : 1.798466 GB ] [ VIRT MEM : 12.866341 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.495638 s ] [ CPU TIME: 797.351611 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.798466 GB ] [ VIRT MEM : 12.866341 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.500782 s ] [ CPU TIME: 798.010791 s ] <<<<< ..
* Number of selectors 5242878
* Broadcast time 1.236928939819336
* Target maximum memory (GB) 250
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
.. >>>>> [ RES MEM : 1.757416 GB ] [ VIRT MEM : 12.849701 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.563162 s ] [ CPU TIME: 817.642228 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.757416 GB ] [ VIRT MEM : 12.849701 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.568661 s ] [ CPU TIME: 817.697424 s ] <<<<< ..
* Number of selectors 5242878
* Broadcast time 1.403457164764404
* Target maximum memory (GB) 250
.. >>>>> [ RES MEM : 1.778458 GB ] [ VIRT MEM : 12.886887 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.698628 s ] [ CPU TIME: 822.486840 s ] <<<<< ..
* Number of generators 3725382
.. >>>>> [ RES MEM : 1.778458 GB ] [ VIRT MEM : 12.886887 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 8.704855 s ] [ CPU TIME: 823.282900 s ] <<<<< ..
* Number of selectors 5242878
* Broadcast time 1.487123966217041
* Target maximum memory (GB) 250
* Number of comb teeth 100
* Number of comb teeth 100
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of comb teeth 100
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of comb teeth 100
* Number of core MOs 6
* pt2_n_tasks_max 525
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique beta determinants 332225
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique beta determinants 332225
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
* Number of unique alpha determinants 332164
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.515614 GB ] [ VIRT MEM : 14.342606 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.017585 s ] [ CPU TIME: 1040.857618 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.512047 GB ] [ VIRT MEM : 14.341713 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.929409 s ] [ CPU TIME: 1027.396214 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.491512 GB ] [ VIRT MEM : 14.353859 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.935775 s ] [ CPU TIME: 1017.298562 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.508816 GB ] [ VIRT MEM : 14.340206 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.945642 s ] [ CPU TIME: 1053.413162 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.489120 GB ] [ VIRT MEM : 14.345547 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.847927 s ] [ CPU TIME: 1045.192081 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.480782 GB ] [ VIRT MEM : 14.340385 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.142896 s ] [ CPU TIME: 1019.965478 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.531109 GB ] [ VIRT MEM : 14.357994 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.964485 s ] [ CPU TIME: 1005.674842 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.536201 GB ] [ VIRT MEM : 14.365898 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.339760 s ] [ CPU TIME: 1044.458919 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 10.889755 GB ] [ VIRT MEM : 21.549057 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.403138 s ] [ CPU TIME: 1045.329192 s ] <<<<< ..
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.507050 GB ] [ VIRT MEM : 14.357719 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.409444 s ] [ CPU TIME: 1065.399375 s ] <<<<< ..
Read n_states_diag
N_det 5242880
N_det_generators 5242878
N_det_selectors 5242878
pt2_e0_denominator -508.274257241999
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 3.515907 GB ] [ VIRT MEM : 14.380241 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.536232 s ] [ CPU TIME: 1068.700443 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 11.035210 GB ] [ VIRT MEM : 22.387928 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.579323 s ] [ CPU TIME: 1052.453828 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 11.041996 GB ] [ VIRT MEM : 22.390362 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.594546 s ] [ CPU TIME: 1053.033883 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 11.060974 GB ] [ VIRT MEM : 22.388878 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.607435 s ] [ CPU TIME: 1053.532526 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 11.072365 GB ] [ VIRT MEM : 22.320297 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.618728 s ] [ CPU TIME: 1053.958378 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.265747 GB ] [ VIRT MEM : 36.976398 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.212143 s ] [ CPU TIME: 1167.274597 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.242374 GB ] [ VIRT MEM : 36.979340 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.068682 s ] [ CPU TIME: 1180.700574 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.207314 GB ] [ VIRT MEM : 36.974178 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.362019 s ] [ CPU TIME: 1152.794151 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.284695 GB ] [ VIRT MEM : 36.991787 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.139056 s ] [ CPU TIME: 1134.209399 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.287327 GB ] [ VIRT MEM : 36.999691 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.493519 s ] [ CPU TIME: 1175.667357 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.078175 GB ] [ VIRT MEM : 39.604610 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.569110 s ] [ CPU TIME: 1208.656581 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.087959 GB ] [ VIRT MEM : 39.579124 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.572920 s ] [ CPU TIME: 1209.079071 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.088245 GB ] [ VIRT MEM : 39.514965 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.576083 s ] [ CPU TIME: 1209.391745 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.078102 GB ] [ VIRT MEM : 39.428658 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.579310 s ] [ CPU TIME: 1209.645361 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.294407 GB ] [ VIRT MEM : 39.780968 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.535377 s ] [ CPU TIME: 1233.214605 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.302689 GB ] [ VIRT MEM : 39.781040 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.538851 s ] [ CPU TIME: 1233.612485 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.332394 GB ] [ VIRT MEM : 39.819183 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.543496 s ] [ CPU TIME: 1234.171561 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.334145 GB ] [ VIRT MEM : 39.542664 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.834544 s ] [ CPU TIME: 1207.697269 s ] <<<<< ..
.. >>>>> [ RES MEM : 27.337627 GB ] [ VIRT MEM : 39.819901 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.546301 s ] [ CPU TIME: 1234.512119 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.344822 GB ] [ VIRT MEM : 39.460629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.840130 s ] [ CPU TIME: 1208.322910 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.378597 GB ] [ VIRT MEM : 39.495960 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.858764 s ] [ CPU TIME: 1210.490347 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.374546 GB ] [ VIRT MEM : 39.453121 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.861839 s ] [ CPU TIME: 1210.798489 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.117874 GB ] [ VIRT MEM : 39.572849 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.851933 s ] [ CPU TIME: 1216.627008 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.130360 GB ] [ VIRT MEM : 39.572849 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.855243 s ] [ CPU TIME: 1217.054848 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.142193 GB ] [ VIRT MEM : 39.583282 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.858641 s ] [ CPU TIME: 1217.472166 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.159313 GB ] [ VIRT MEM : 39.585247 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.861573 s ] [ CPU TIME: 1217.844482 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.246464 GB ] [ VIRT MEM : 36.991512 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.765498 s ] [ CPU TIME: 1209.984870 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 26.214939 GB ] [ VIRT MEM : 37.014034 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.800366 s ] [ CPU TIME: 1194.884107 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 26.745636 GB ] [ VIRT MEM : 40.027248 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.967475 s ] [ CPU TIME: 1213.778587 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 26.761898 GB ] [ VIRT MEM : 40.055813 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.971096 s ] [ CPU TIME: 1214.128898 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 21.184803 GB ] [ VIRT MEM : 31.876122 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 12.985622 s ] [ CPU TIME: 1149.284321 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 26.903706 GB ] [ VIRT MEM : 39.561184 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.060253 s ] [ CPU TIME: 1223.517778 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 26.900837 GB ] [ VIRT MEM : 39.516460 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.064985 s ] [ CPU TIME: 1223.990244 s ] <<<<< ..
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 25.715927 GB ] [ VIRT MEM : 36.459290 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.189108 s ] [ CPU TIME: 1157.018944 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.685738 GB ] [ VIRT MEM : 39.031158 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.512561 s ] [ CPU TIME: 1292.353706 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.682190 GB ] [ VIRT MEM : 39.022335 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.519101 s ] [ CPU TIME: 1293.080738 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.682701 GB ] [ VIRT MEM : 39.018135 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.521546 s ] [ CPU TIME: 1293.358470 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.690552 GB ] [ VIRT MEM : 39.018135 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.524740 s ] [ CPU TIME: 1293.767518 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.435207 GB ] [ VIRT MEM : 39.414776 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.358023 s ] [ CPU TIME: 1281.424894 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.435207 GB ] [ VIRT MEM : 39.414776 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.360557 s ] [ CPU TIME: 1281.752803 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.435207 GB ] [ VIRT MEM : 39.414776 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.362492 s ] [ CPU TIME: 1281.997402 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.435207 GB ] [ VIRT MEM : 39.414776 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.364631 s ] [ CPU TIME: 1282.273404 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 22.290066 GB ] [ VIRT MEM : 33.637882 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.727040 s ] [ CPU TIME: 1216.031649 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 22.186081 GB ] [ VIRT MEM : 33.449924 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.752770 s ] [ CPU TIME: 1218.330673 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 22.192619 GB ] [ VIRT MEM : 33.449924 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.756509 s ] [ CPU TIME: 1218.701361 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 22.189293 GB ] [ VIRT MEM : 33.430016 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 13.759688 s ] [ CPU TIME: 1218.972319 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 27.969597 GB ] [ VIRT MEM : 39.948215 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.376440 s ] [ CPU TIME: 1298.311600 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.001766 GB ] [ VIRT MEM : 39.995335 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.390855 s ] [ CPU TIME: 1300.129050 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.067211 GB ] [ VIRT MEM : 40.017056 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.423028 s ] [ CPU TIME: 1304.212797 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 28.082569 GB ] [ VIRT MEM : 40.024891 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.430976 s ] [ CPU TIME: 1305.217169 s ] <<<<< ..
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
davidson.00000086
* Broadcast time 2.078521013259888
.. >>>>> [ RES MEM : 5.407711 GB ] [ VIRT MEM : 16.210335 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.362208 s ] [ CPU TIME: 123064.313164 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.102019071578979
.. >>>>> [ RES MEM : 5.511269 GB ] [ VIRT MEM : 16.319160 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.628098 s ] [ CPU TIME: 122999.392370 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.276693820953369
.. >>>>> [ RES MEM : 5.750931 GB ] [ VIRT MEM : 16.586800 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.798099 s ] [ CPU TIME: 122908.488536 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.282069921493530
.. >>>>> [ RES MEM : 5.619678 GB ] [ VIRT MEM : 16.456890 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.808231 s ] [ CPU TIME: 123018.215355 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.298907995223999
.. >>>>> [ RES MEM : 5.608276 GB ] [ VIRT MEM : 16.410572 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.919222 s ] [ CPU TIME: 123086.452703 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.301664113998413
.. >>>>> [ RES MEM : 5.640778 GB ] [ VIRT MEM : 16.479469 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.829402 s ] [ CPU TIME: 122883.297679 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.409340858459473
.. >>>>> [ RES MEM : 5.489483 GB ] [ VIRT MEM : 16.289230 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.936786 s ] [ CPU TIME: 122917.522304 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.411959886550903
.. >>>>> [ RES MEM : 5.578583 GB ] [ VIRT MEM : 16.382145 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 986.031370 s ] [ CPU TIME: 123002.082791 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.422481060028076
.. >>>>> [ RES MEM : 5.536438 GB ] [ VIRT MEM : 16.386105 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.838459 s ] [ CPU TIME: 123018.387223 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.472215890884399
.. >>>>> [ RES MEM : 5.890610 GB ] [ VIRT MEM : 16.728203 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 986.177073 s ] [ CPU TIME: 123075.423660 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
0 : Davidson done
----------
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
davidson.00000087
* Broadcast time 1.952939033508301
.. >>>>> [ RES MEM : 5.779999 GB ] [ VIRT MEM : 18.159531 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.482349 s ] [ CPU TIME: 127608.946645 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.087627887725830
.. >>>>> [ RES MEM : 5.851414 GB ] [ VIRT MEM : 18.206310 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.821243 s ] [ CPU TIME: 127546.922365 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.097684144973755
.. >>>>> [ RES MEM : 5.700279 GB ] [ VIRT MEM : 18.013901 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.737136 s ] [ CPU TIME: 127481.712676 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.109915018081665
.. >>>>> [ RES MEM : 5.808292 GB ] [ VIRT MEM : 18.131256 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.506855 s ] [ CPU TIME: 127782.245378 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.113532066345215
.. >>>>> [ RES MEM : 5.473740 GB ] [ VIRT MEM : 17.826538 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.752924 s ] [ CPU TIME: 127614.430080 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.210632085800171
.. >>>>> [ RES MEM : 5.619896 GB ] [ VIRT MEM : 17.966049 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.851415 s ] [ CPU TIME: 127506.206595 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.215654134750366
.. >>>>> [ RES MEM : 5.477596 GB ] [ VIRT MEM : 17.857735 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.856598 s ] [ CPU TIME: 127490.448077 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.339637041091919
.. >>>>> [ RES MEM : 5.406185 GB ] [ VIRT MEM : 17.780556 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1089.157860 s ] [ CPU TIME: 127583.362097 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.345205068588257
.. >>>>> [ RES MEM : 5.502132 GB ] [ VIRT MEM : 17.839161 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1088.979982 s ] [ CPU TIME: 127491.043636 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.390312910079956
.. >>>>> [ RES MEM : 5.590412 GB ] [ VIRT MEM : 17.910271 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1089.123040 s ] [ CPU TIME: 127521.329050 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
davidson.00000088
* Broadcast time 1.880400896072388
.. >>>>> [ RES MEM : 5.399361 GB ] [ VIRT MEM : 17.845222 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.581442 s ] [ CPU TIME: 131589.400152 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.949234008789062
.. >>>>> [ RES MEM : 5.336281 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.829166 s ] [ CPU TIME: 131420.160478 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.161998987197876
.. >>>>> [ RES MEM : 5.368633 GB ] [ VIRT MEM : 17.813919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.858275 s ] [ CPU TIME: 131540.204514 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.203117132186890
.. >>>>> [ RES MEM : 5.382942 GB ] [ VIRT MEM : 17.751331 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.997566 s ] [ CPU TIME: 131508.506799 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.209369897842407
.. >>>>> [ RES MEM : 5.430595 GB ] [ VIRT MEM : 17.832535 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1133.004643 s ] [ CPU TIME: 131480.762708 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.213798046112061
.. >>>>> [ RES MEM : 5.331787 GB ] [ VIRT MEM : 17.725090 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.916471 s ] [ CPU TIME: 131502.900174 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.216434955596924
.. >>>>> [ RES MEM : 5.406883 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.675014 s ] [ CPU TIME: 131703.153656 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.223782062530518
.. >>>>> [ RES MEM : 5.334995 GB ] [ VIRT MEM : 17.751854 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.814821 s ] [ CPU TIME: 131552.921081 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.225695848464966
.. >>>>> [ RES MEM : 5.389194 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.928045 s ] [ CPU TIME: 131500.726788 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.261261940002441
.. >>>>> [ RES MEM : 5.412540 GB ] [ VIRT MEM : 17.837578 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1132.962377 s ] [ CPU TIME: 131343.135820 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
davidson.00000089
* Broadcast time 2.226516008377075
.. >>>>> [ RES MEM : 5.337498 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.729668 s ] [ CPU TIME: 135120.017599 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.245635032653809
.. >>>>> [ RES MEM : 5.412857 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.327478 s ] [ CPU TIME: 135496.189076 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.248950004577637
.. >>>>> [ RES MEM : 5.389328 GB ] [ VIRT MEM : 17.776039 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.573406 s ] [ CPU TIME: 135071.188831 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.268704891204834
.. >>>>> [ RES MEM : 5.392586 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.594421 s ] [ CPU TIME: 135254.653352 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.271728992462158
.. >>>>> [ RES MEM : 5.385990 GB ] [ VIRT MEM : 17.830570 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.596126 s ] [ CPU TIME: 135338.710463 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.274771928787231
.. >>>>> [ RES MEM : 5.412823 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.692343 s ] [ CPU TIME: 135381.138845 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.284718036651611
.. >>>>> [ RES MEM : 5.424709 GB ] [ VIRT MEM : 17.832535 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.703346 s ] [ CPU TIME: 135224.491299 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.287518978118896
.. >>>>> [ RES MEM : 5.347240 GB ] [ VIRT MEM : 17.751854 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.501933 s ] [ CPU TIME: 135312.444195 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.328027009963989
.. >>>>> [ RES MEM : 5.363529 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.654015 s ] [ CPU TIME: 135312.418755 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.486541032791138
.. >>>>> [ RES MEM : 5.348202 GB ] [ VIRT MEM : 17.762150 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1174.806220 s ] [ CPU TIME: 135306.565682 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
davidson.00000090
* Broadcast time 1.823513031005859
.. >>>>> [ RES MEM : 5.414635 GB ] [ VIRT MEM : 17.788578 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.559680 s ] [ CPU TIME: 138791.458763 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.884970903396606
.. >>>>> [ RES MEM : 5.369080 GB ] [ VIRT MEM : 17.803623 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.416951 s ] [ CPU TIME: 138974.285886 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.897392034530640
.. >>>>> [ RES MEM : 5.341476 GB ] [ VIRT MEM : 17.725090 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.540911 s ] [ CPU TIME: 139034.022333 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.908808231353760
.. >>>>> [ RES MEM : 5.348843 GB ] [ VIRT MEM : 17.762150 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.545919 s ] [ CPU TIME: 139037.818225 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.915051937103271
.. >>>>> [ RES MEM : 5.416973 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.314434 s ] [ CPU TIME: 139153.345619 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.917361021041870
.. >>>>> [ RES MEM : 5.338902 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.738055 s ] [ CPU TIME: 138691.977504 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.925619125366211
.. >>>>> [ RES MEM : 5.413204 GB ] [ VIRT MEM : 17.837578 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.567573 s ] [ CPU TIME: 138678.634159 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.041017055511475
.. >>>>> [ RES MEM : 5.411125 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.776297 s ] [ CPU TIME: 139070.543140 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.050834894180298
.. >>>>> [ RES MEM : 5.383648 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.692628 s ] [ CPU TIME: 139016.997205 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.087455034255981
.. >>>>> [ RES MEM : 5.414742 GB ] [ VIRT MEM : 17.835453 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1214.730599 s ] [ CPU TIME: 138882.685890 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
davidson.00000091
* Broadcast time 1.803756952285767
.. >>>>> [ RES MEM : 5.415970 GB ] [ VIRT MEM : 17.770996 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.911015 s ] [ CPU TIME: 142260.080500 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.918800115585327
.. >>>>> [ RES MEM : 5.372768 GB ] [ VIRT MEM : 17.813919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.926905 s ] [ CPU TIME: 142573.855648 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.960644006729126
.. >>>>> [ RES MEM : 5.342564 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1255.152243 s ] [ CPU TIME: 142211.986016 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.963602066040039
.. >>>>> [ RES MEM : 5.397102 GB ] [ VIRT MEM : 17.793621 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.976527 s ] [ CPU TIME: 142161.695932 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.979699850082397
.. >>>>> [ RES MEM : 5.404648 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.993862 s ] [ CPU TIME: 142442.947491 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.982855081558228
.. >>>>> [ RES MEM : 5.418468 GB ] [ VIRT MEM : 17.845222 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.995734 s ] [ CPU TIME: 142494.127255 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.987252950668335
.. >>>>> [ RES MEM : 5.353962 GB ] [ VIRT MEM : 17.751854 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.890306 s ] [ CPU TIME: 142575.049700 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.097686767578125
.. >>>>> [ RES MEM : 5.419945 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1254.868061 s ] [ CPU TIME: 142742.426403 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.103440999984741
.. >>>>> [ RES MEM : 5.417839 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1255.209727 s ] [ CPU TIME: 142600.676952 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.157170057296753
.. >>>>> [ RES MEM : 5.371113 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1255.171765 s ] [ CPU TIME: 142595.889692 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
davidson.00000092
* Broadcast time 1.995654106140137
.. >>>>> [ RES MEM : 5.375145 GB ] [ VIRT MEM : 17.803623 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.068489 s ] [ CPU TIME: 146078.876106 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.029634952545166
.. >>>>> [ RES MEM : 5.362873 GB ] [ VIRT MEM : 17.762150 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.207724 s ] [ CPU TIME: 146009.337351 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.031069993972778
.. >>>>> [ RES MEM : 5.433563 GB ] [ VIRT MEM : 17.835453 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.215066 s ] [ CPU TIME: 145920.483589 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.031200885772705
.. >>>>> [ RES MEM : 5.399330 GB ] [ VIRT MEM : 17.776039 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.214475 s ] [ CPU TIME: 145581.385101 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.046027898788452
.. >>>>> [ RES MEM : 5.400131 GB ] [ VIRT MEM : 17.740078 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1293.986847 s ] [ CPU TIME: 146144.547097 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.047287225723267
.. >>>>> [ RES MEM : 5.445522 GB ] [ VIRT MEM : 17.832535 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.324544 s ] [ CPU TIME: 145689.530663 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.119347095489502
.. >>>>> [ RES MEM : 5.374260 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.303801 s ] [ CPU TIME: 146028.021171 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.148586988449097
.. >>>>> [ RES MEM : 5.395405 GB ] [ VIRT MEM : 17.751331 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.425205 s ] [ CPU TIME: 146039.117741 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.155186176300049
.. >>>>> [ RES MEM : 5.413769 GB ] [ VIRT MEM : 17.830570 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.337909 s ] [ CPU TIME: 145988.693430 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.184427976608276
.. >>>>> [ RES MEM : 5.347542 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1294.546362 s ] [ CPU TIME: 145660.992618 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
davidson.00000093
* Broadcast time 2.114762067794800
.. >>>>> [ RES MEM : 5.387054 GB ] [ VIRT MEM : 17.813919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.472199 s ] [ CPU TIME: 149505.545477 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.162109136581421
.. >>>>> [ RES MEM : 5.356579 GB ] [ VIRT MEM : 17.751854 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.414321 s ] [ CPU TIME: 149487.982507 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.167560100555420
.. >>>>> [ RES MEM : 5.374325 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.531339 s ] [ CPU TIME: 149531.682830 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.178631067276001
.. >>>>> [ RES MEM : 5.420631 GB ] [ VIRT MEM : 17.845222 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.540655 s ] [ CPU TIME: 149380.985708 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.179420948028564
.. >>>>> [ RES MEM : 5.427570 GB ] [ VIRT MEM : 17.837578 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.541522 s ] [ CPU TIME: 149019.260048 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.184542894363403
.. >>>>> [ RES MEM : 5.351025 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.725416 s ] [ CPU TIME: 149108.618138 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.191879034042358
.. >>>>> [ RES MEM : 5.421185 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.311417 s ] [ CPU TIME: 149519.738056 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.265872001647949
.. >>>>> [ RES MEM : 5.396477 GB ] [ VIRT MEM : 17.751331 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.721435 s ] [ CPU TIME: 149478.389813 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.298074960708618
.. >>>>> [ RES MEM : 5.415306 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.661373 s ] [ CPU TIME: 149353.118511 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.337892055511475
.. >>>>> [ RES MEM : 5.420303 GB ] [ VIRT MEM : 17.770996 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1333.794348 s ] [ CPU TIME: 149169.052946 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
davidson.00000094
* Broadcast time 1.733686923980713
.. >>>>> [ RES MEM : 5.402416 GB ] [ VIRT MEM : 17.776039 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.074593 s ] [ CPU TIME: 152410.633675 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.960839033126831
.. >>>>> [ RES MEM : 5.393879 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.301717 s ] [ CPU TIME: 152785.162242 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.968465089797974
.. >>>>> [ RES MEM : 5.351395 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.488085 s ] [ CPU TIME: 152528.911860 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.004818916320801
.. >>>>> [ RES MEM : 5.414673 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.346947 s ] [ CPU TIME: 152787.778154 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.188048124313354
.. >>>>> [ RES MEM : 5.446774 GB ] [ VIRT MEM : 17.832535 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.623381 s ] [ CPU TIME: 152620.750550 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.335813999176025
.. >>>>> [ RES MEM : 5.364887 GB ] [ VIRT MEM : 17.762150 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.672624 s ] [ CPU TIME: 152941.328243 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.399113893508911
.. >>>>> [ RES MEM : 5.402012 GB ] [ VIRT MEM : 17.740078 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.498075 s ] [ CPU TIME: 152879.213992 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.402305126190186
.. >>>>> [ RES MEM : 5.374027 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.745399 s ] [ CPU TIME: 153005.480560 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.410596847534180
.. >>>>> [ RES MEM : 5.382820 GB ] [ VIRT MEM : 17.803623 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.642199 s ] [ CPU TIME: 152899.607867 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.455096960067749
.. >>>>> [ RES MEM : 5.421978 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1372.889935 s ] [ CPU TIME: 152838.925660 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
davidson.00000095
* Broadcast time 1.799674987792969
.. >>>>> [ RES MEM : 5.424778 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.094556 s ] [ CPU TIME: 156198.484508 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.802298069000244
.. >>>>> [ RES MEM : 5.386890 GB ] [ VIRT MEM : 17.813919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.335083 s ] [ CPU TIME: 156227.210259 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.808944940567017
.. >>>>> [ RES MEM : 5.351398 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.525129 s ] [ CPU TIME: 155884.675745 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.812741994857788
.. >>>>> [ RES MEM : 5.404091 GB ] [ VIRT MEM : 17.776039 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.350268 s ] [ CPU TIME: 155811.686167 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.814260005950928
.. >>>>> [ RES MEM : 5.419621 GB ] [ VIRT MEM : 17.770996 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.446049 s ] [ CPU TIME: 155992.405024 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.931069135665894
.. >>>>> [ RES MEM : 5.421417 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.561865 s ] [ CPU TIME: 156169.548532 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.938799858093262
.. >>>>> [ RES MEM : 5.436386 GB ] [ VIRT MEM : 17.835453 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.477495 s ] [ CPU TIME: 156216.526938 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.948410987854004
.. >>>>> [ RES MEM : 5.350887 GB ] [ VIRT MEM : 17.725090 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.487555 s ] [ CPU TIME: 156446.274615 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.970121860504150
.. >>>>> [ RES MEM : 5.383083 GB ] [ VIRT MEM : 17.803623 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.397798 s ] [ CPU TIME: 156305.918648 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.050107002258301
.. >>>>> [ RES MEM : 5.420765 GB ] [ VIRT MEM : 17.845222 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1411.587478 s ] [ CPU TIME: 156244.969333 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
davidson.00000096
* Broadcast time 2.124773025512695
.. >>>>> [ RES MEM : 5.402866 GB ] [ VIRT MEM : 17.740078 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1450.952139 s ] [ CPU TIME: 159495.002521 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.132714033126831
.. >>>>> [ RES MEM : 5.378376 GB ] [ VIRT MEM : 17.786629 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.204346 s ] [ CPU TIME: 159807.602872 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.133625030517578
.. >>>>> [ RES MEM : 5.353165 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.382282 s ] [ CPU TIME: 159206.812970 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.141494989395142
.. >>>>> [ RES MEM : 5.360165 GB ] [ VIRT MEM : 17.751854 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.101679 s ] [ CPU TIME: 159647.440683 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.144408941268921
.. >>>>> [ RES MEM : 5.395386 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.214286 s ] [ CPU TIME: 159648.570537 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.146864891052246
.. >>>>> [ RES MEM : 5.388180 GB ] [ VIRT MEM : 17.813919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.212199 s ] [ CPU TIME: 159692.510158 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.158134937286377
.. >>>>> [ RES MEM : 5.449062 GB ] [ VIRT MEM : 17.832535 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.322483 s ] [ CPU TIME: 159416.387365 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.272344112396240
.. >>>>> [ RES MEM : 5.415253 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.343573 s ] [ CPU TIME: 159579.796147 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.293643951416016
.. >>>>> [ RES MEM : 5.433628 GB ] [ VIRT MEM : 17.837578 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.363624 s ] [ CPU TIME: 159231.188583 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.328476905822754
.. >>>>> [ RES MEM : 5.422928 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1451.491794 s ] [ CPU TIME: 159561.736194 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
davidson.00000097
* Broadcast time 1.859575986862183
.. >>>>> [ RES MEM : 5.423439 GB ] [ VIRT MEM : 17.770996 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.857828 s ] [ CPU TIME: 162869.328787 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.900368928909302
.. >>>>> [ RES MEM : 5.366478 GB ] [ VIRT MEM : 17.762150 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.799602 s ] [ CPU TIME: 163102.982738 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.903045177459717
.. >>>>> [ RES MEM : 5.410282 GB ] [ VIRT MEM : 17.776039 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.806941 s ] [ CPU TIME: 162546.484987 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.913388013839722
.. >>>>> [ RES MEM : 5.424004 GB ] [ VIRT MEM : 17.791847 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.574705 s ] [ CPU TIME: 162887.778641 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.915970087051392
.. >>>>> [ RES MEM : 5.418858 GB ] [ VIRT MEM : 17.783684 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.821048 s ] [ CPU TIME: 162953.309615 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.917130947113037
.. >>>>> [ RES MEM : 5.355022 GB ] [ VIRT MEM : 17.725090 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.822687 s ] [ CPU TIME: 163223.145090 s ] <<<<< ..
Read n_states_diag
* Broadcast time 1.925812959671021
.. >>>>> [ RES MEM : 5.424278 GB ] [ VIRT MEM : 17.845222 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.829545 s ] [ CPU TIME: 162991.054177 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.030210971832275
.. >>>>> [ RES MEM : 5.424774 GB ] [ VIRT MEM : 17.812870 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1492.027537 s ] [ CPU TIME: 162926.471681 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.053459882736206
.. >>>>> [ RES MEM : 5.353844 GB ] [ VIRT MEM : 17.724216 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1492.136091 s ] [ CPU TIME: 162526.039032 s ] <<<<< ..
Read n_states_diag
* Broadcast time 2.080301046371460
.. >>>>> [ RES MEM : 5.381878 GB ] [ VIRT MEM : 17.803623 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1491.874466 s ] [ CPU TIME: 163023.439196 s ] <<<<< ..
Read n_states_diag
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
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pt2.00000098
Using 1/c_max^2 weight in selection
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
# Total weight 1.000000
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
pt2.00000098
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 5.754131 GB ] [ VIRT MEM : 18.126804 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1607.784621 s ] [ CPU TIME: 166288.288542 s ] <<<<< ..
.. >>>>> [ RES MEM : 5.765598 GB ] [ VIRT MEM : 18.162766 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.029092 s ] [ CPU TIME: 165918.939727 s ] <<<<< ..
.. >>>>> [ RES MEM : 5.707352 GB ] [ VIRT MEM : 18.111816 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.038246 s ] [ CPU TIME: 166661.738607 s ] <<<<< ..
* Number of generators 7555963
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.765598 GB ] [ VIRT MEM : 18.162766 GB ] <<<<< ..
.. >>>>> [ RES MEM : 5.754131 GB ] [ VIRT MEM : 18.126804 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.041642 s ] [ CPU TIME: 165918.949175 s ] <<<<< ..
.. >>>>> [ WALL TIME: 1607.798990 s ] [ CPU TIME: 166288.298382 s ] <<<<< ..
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.707352 GB ] [ VIRT MEM : 18.111816 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.048402 s ] [ CPU TIME: 166661.748583 s ] <<<<< ..
* Number of selectors 10485756
* Number of selectors 10485756
* Broadcast time 2.384423971176147
* Broadcast time 2.384445905685425
* Number of selectors 10485756
* Broadcast time 2.386923074722290
.. >>>>> [ RES MEM : 5.754002 GB ] [ VIRT MEM : 18.170410 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.061220 s ] [ CPU TIME: 166401.601757 s ] <<<<< ..
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.754002 GB ] [ VIRT MEM : 18.170410 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.070778 s ] [ CPU TIME: 166401.611113 s ] <<<<< ..
* Number of selectors 10485756
* Broadcast time 2.411120176315308
.. >>>>> [ RES MEM : 5.770233 GB ] [ VIRT MEM : 18.170410 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.110771 s ] [ CPU TIME: 166353.487765 s ] <<<<< ..
.. >>>>> [ RES MEM : 5.721081 GB ] [ VIRT MEM : 18.148876 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.107480 s ] [ CPU TIME: 166581.993243 s ] <<<<< ..
.. >>>>> [ RES MEM : 5.748878 GB ] [ VIRT MEM : 18.138058 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.206123 s ] [ CPU TIME: 166325.721455 s ] <<<<< ..
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.770233 GB ] [ VIRT MEM : 18.170410 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.121203 s ] [ CPU TIME: 166353.498023 s ] <<<<< ..
* Number of generators 7555963
* Number of generators 7555963
* Number of selectors 10485756
.. >>>>> [ RES MEM : 5.748878 GB ] [ VIRT MEM : 18.138058 GB ] <<<<< ..
.. >>>>> [ RES MEM : 5.721081 GB ] [ VIRT MEM : 18.148876 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.226414 s ] [ CPU TIME: 166325.730922 s ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.128480 s ] [ CPU TIME: 166582.003407 s ] <<<<< ..
* Broadcast time 2.461680889129639
.. >>>>> [ RES MEM : 5.712967 GB ] [ VIRT MEM : 18.138580 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.023928 s ] [ CPU TIME: 166472.601858 s ] <<<<< ..
* Number of generators 7555963
* Number of selectors 10485756
* Number of selectors 10485756
.. >>>>> [ RES MEM : 5.712967 GB ] [ VIRT MEM : 18.138580 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.043788 s ] [ CPU TIME: 166472.611694 s ] <<<<< ..
* Broadcast time 2.482125043869019
* Broadcast time 2.482327222824097
* Number of selectors 10485756
* Broadcast time 2.499966859817505
.. >>>>> [ RES MEM : 5.706726 GB ] [ VIRT MEM : 18.110943 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.387844 s ] [ CPU TIME: 165950.538348 s ] <<<<< ..
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.706726 GB ] [ VIRT MEM : 18.110943 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.400261 s ] [ CPU TIME: 165950.548327 s ] <<<<< ..
* Number of selectors 10485756
* Broadcast time 2.564777135848999
.. >>>>> [ RES MEM : 5.757973 GB ] [ VIRT MEM : 18.136234 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.344623 s ] [ CPU TIME: 166284.307549 s ] <<<<< ..
* Number of generators 7555963
.. >>>>> [ RES MEM : 5.757973 GB ] [ VIRT MEM : 18.136234 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1608.360673 s ] [ CPU TIME: 166284.317847 s ] <<<<< ..
* Number of selectors 10485756
* Broadcast time 2.610107898712158
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* Number of comb teeth 100
* pt2_n_tasks_max 870
* pt2_n_tasks_max 870
* Number of comb teeth 100
* pt2_n_tasks_max 870
* Number of comb teeth 100
* Number of comb teeth 100
* pt2_n_tasks_max 870
* pt2_n_tasks_max 870
* pt2_n_tasks_max 870
* pt2_n_tasks_max 870
* pt2_n_tasks_max 870
* Number of comb teeth 100
* pt2_n_tasks_max 870
* Number of comb teeth 100
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* pt2_n_tasks_max 870
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
* Number of unique beta determinants 547527
* Number of unique alpha determinants 547585
* Number of unique alpha determinants 547585
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.584133 GB ] [ VIRT MEM : 18.153507 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.151974 s ] [ CPU TIME: 166319.075518 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.539978 GB ] [ VIRT MEM : 18.102558 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.160854 s ] [ CPU TIME: 167057.208009 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.570919 GB ] [ VIRT MEM : 18.107777 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1613.936539 s ] [ CPU TIME: 166683.810849 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.527264 GB ] [ VIRT MEM : 18.120853 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.157390 s ] [ CPU TIME: 166872.200052 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.566723 GB ] [ VIRT MEM : 18.128799 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.370499 s ] [ CPU TIME: 166724.686486 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.584351 GB ] [ VIRT MEM : 18.152683 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.369115 s ] [ CPU TIME: 166749.516903 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.537174 GB ] [ VIRT MEM : 18.129848 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.389440 s ] [ CPU TIME: 166978.298288 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.572746 GB ] [ VIRT MEM : 18.161152 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.428582 s ] [ CPU TIME: 166803.433761 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.498383 GB ] [ VIRT MEM : 18.040146 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1614.926284 s ] [ CPU TIME: 166353.212970 s ] <<<<< ..
Read n_states_diag
N_det 10485760
N_det_generators 10485756
N_det_selectors 10485756
pt2_e0_denominator -508.286329397632
pt2_stoch_istate 1
state_average_weight 1.00000000000000
selection_weight 1.00000000000000
Number of threads 128
Running PT2
.. >>>>> [ RES MEM : 6.595566 GB ] [ VIRT MEM : 18.148464 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 1615.441811 s ] [ CPU TIME: 166767.656460 s ] <<<<< ..
Read n_states_diag
0 : PT2 done
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0 : PT2 done
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0 : PT2 done
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0 : PT2 done
-------
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0 : PT2 done
0 : PT2 done
-------
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0 : PT2 done
-------
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-------
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0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
0 : PT2 done
-------
----------
Stopped
Stopped
Stopped
Stopped
Stopped
Stopped
Stopped
Stopped
Stopped
Stopped
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Wall time: 0:52:55
Reference in New Issue Copy Permalink