
  ___ ___ ___ _ _ _  
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 |__ |  _|___|_____|  23.6.1b1
 |___|_|             

User:   aes38@compute-39
Date:   Wed Jul 19 02:44:30 2023
Arch:   x86_64
Pid:    2764752
CWD:    /users/home/aes38/Rydberg/new/ethylene/pbe/fd/mom/secondext
Python: 3.9.6
gpaw:   /users/home/aes38/fd-gmf/gpaw (f024f0dc2f)
_gpaw:  /users/home/aes38/fd-gmf/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (fd7e331516)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 8
OpenMP: False
OMP_NUM_THREADS: 1

iter:   1  02:44:48  -23.549720     0.000000   -23.549720      5.0e-01      1.5e+00
iter:   2  02:45:08  -23.767979     0.000000   -23.767979      5.0e-01      9.6e-01
iter:   3  02:45:28  -23.861683     0.000000   -23.861683      5.0e-01      1.7e-01
iter:   4  02:45:48  -23.865173     0.000000   -23.865173      5.0e-01      4.7e-02
iter:   5  02:46:07  -23.863472     0.000000   -23.863472      5.0e-01      2.2e-01
iter:   6  02:46:27  -23.865239     0.000000   -23.865239      5.0e-01      1.1e-02
iter:   7  02:46:46  -23.865247     0.000000   -23.865247      1.9e-15      1.8e-03
iter:   8  02:47:05  -23.865247     0.000000   -23.865247      2.4e-15      6.9e-04
iter:   9  02:47:25  -23.865247     0.000000   -23.865247      3.0e-15      1.3e-03
iter:  10  02:47:44  -23.865247     0.000000   -23.865247      2.6e-15      7.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:10
iter:   1  02:48:22  -24.495298     0.000000   -24.495298      5.0e-01      1.7e-01
iter:   2  02:48:41  -24.496943     0.000000   -24.496943      5.0e-01      6.0e-02
iter:   3  02:49:00  -24.497586     0.000000   -24.497586      5.0e-01      1.7e-02
iter:   4  02:49:20  -24.497633     0.000000   -24.497633      2.0e-15      3.8e-03
iter:   5  02:49:40  -24.497634     0.000000   -24.497634      1.2e-15      5.8e-04
iter:   6  02:49:59  -24.497634     0.000000   -24.497634      3.6e-15      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  02:50:46  -24.822844     0.000000   -24.822844      5.0e-01      2.1e-01
iter:   2  02:51:06  -24.825519     0.000000   -24.825519      5.0e-01      6.3e-02
iter:   3  02:51:26  -24.826185     0.000000   -24.826185      5.0e-01      1.9e-02
iter:   4  02:51:45  -24.826242     0.000000   -24.826242      8.1e-15      3.6e-03
iter:   5  02:52:04  -24.826242     0.000000   -24.826242      7.5e-15      5.3e-04
iter:   6  02:52:23  -24.826242     0.000000   -24.826242      4.6e-15      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  02:53:11  -24.850832     0.000000   -24.850832      5.0e-01      4.7e-02
iter:   2  02:53:29  -24.850969     0.000000   -24.850969      5.0e-01      1.1e-02
iter:   3  02:53:48  -24.850982     0.000000   -24.850982      8.7e-15      3.1e-03
iter:   4  02:54:07  -24.850983     0.000000   -24.850983      7.0e-15      3.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  02:54:55  -24.866559     0.000000   -24.866559      5.0e-01      3.6e-02
iter:   2  02:55:14  -24.866590     0.000000   -24.866590      5.0e-01      2.9e-02
iter:   3  02:55:33  -24.866697     0.000000   -24.866697      9.7e-15      3.0e-03
iter:   4  02:55:52  -24.866698     0.000000   -24.866698      5.0e-15      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  02:56:42  -24.828617     0.000000   -24.828617      5.0e-01      4.6e-02
iter:   2  02:57:02  -24.828643     0.000000   -24.828643      5.0e-01      5.2e-02
iter:   3  02:57:20  -24.828999     0.000000   -24.828999      4.0e-14      4.5e-03
iter:   4  02:57:40  -24.829001     0.000000   -24.829001      1.0e-13      9.0e-04
iter:   5  02:57:59  -24.829001     0.000000   -24.829001      3.6e-13      1.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  02:58:48  -24.803828     0.000000   -24.803828      5.0e-01      1.9e-02
iter:   2  02:59:07  -24.803828     0.000000   -24.803828      5.0e-01      2.1e-02
iter:   3  02:59:25  -24.803888     0.000000   -24.803888      4.1e-13      1.2e-03
iter:   4  02:59:44  -24.803888     0.000000   -24.803888      2.6e-13      4.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:00:31  -24.886722     0.000000   -24.886722      5.0e-01      1.7e-02
iter:   2  03:00:50  -24.886736     0.000000   -24.886736      5.2e-15      5.3e-03
iter:   3  03:01:09  -24.886741     0.000000   -24.886741      1.1e-14      1.1e-03
iter:   4  03:01:28  -24.886741     0.000000   -24.886741      4.7e-15      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:02:16  -24.892249     0.000000   -24.892249      5.0e-01      9.0e-03
iter:   2  03:02:35  -24.892250     0.000000   -24.892250      5.0e-01      7.1e-03
iter:   3  03:02:53  -24.892257     0.000000   -24.892257      4.4e-15      5.9e-04
iter:   4  03:03:12  -24.892257     0.000000   -24.892257      8.7e-15      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:04:01  -24.892603     0.000000   -24.892603      4.0e-15      4.5e-03
iter:   2  03:04:20  -24.892603     0.000000   -24.892603      7.7e-15      3.4e-03
iter:   3  03:04:38  -24.892605     0.000000   -24.892605      9.6e-15      5.3e-04
iter:   4  03:04:57  -24.892605     0.000000   -24.892605      1.1e-14      1.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:05:46  -24.879949     0.000000   -24.879949      5.0e-01      1.0e-02
iter:   2  03:06:05  -24.879951     0.000000   -24.879951      5.0e-01      5.5e-03
iter:   3  03:06:24  -24.879956     0.000000   -24.879956      2.5e-13      1.1e-03
iter:   4  03:06:42  -24.879956     0.000000   -24.879956      2.2e-13      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:07:29  -24.894750     0.000000   -24.894750      1.2e-14      2.7e-03
iter:   2  03:07:48  -24.894750     0.000000   -24.894750      5.8e-15      8.1e-04
iter:   3  03:08:07  -24.894750     0.000000   -24.894750      5.5e-15      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:08:56  -24.894955     0.000000   -24.894955      5.0e-15      1.7e-03
iter:   2  03:09:14  -24.894955     0.000000   -24.894955      6.1e-15      1.1e-03
iter:   3  03:09:32  -24.894955     0.000000   -24.894955      5.9e-15      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:10:21  -24.894359     0.000000   -24.894359      6.8e-15      4.3e-03
iter:   2  03:10:40  -24.894360     0.000000   -24.894360      2.1e-15      2.8e-03
iter:   3  03:10:58  -24.894360     0.000000   -24.894360      4.1e-15      5.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:11:46  -24.882938     0.000000   -24.882938      5.0e-13      2.1e-03
iter:   2  03:12:05  -24.882938     0.000000   -24.882938      1.4e-13      2.1e-03
iter:   3  03:12:23  -24.882939     0.000000   -24.882939      2.4e-13      5.1e-04
iter:   4  03:12:42  -24.882939     0.000000   -24.882939      1.8e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:13:31  -24.895542     0.000000   -24.895542      1.7e-13      1.3e-03
iter:   2  03:13:50  -24.895542     0.000000   -24.895542      1.1e-13      1.5e-03
iter:   3  03:14:08  -24.895543     0.000000   -24.895543      1.3e-13      1.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:14:55  -24.896197     0.000000   -24.896197      1.8e-13      8.6e-04
iter:   2  03:15:13  -24.896197     0.000000   -24.896197      3.7e-14      9.9e-04
iter:   3  03:15:32  -24.896197     0.000000   -24.896197      3.3e-13      9.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:16:20  -24.896066     0.000000   -24.896066      1.2e-13      1.5e-03
iter:   2  03:16:39  -24.896066     0.000000   -24.896066      3.6e-13      1.5e-03
iter:   3  03:16:58  -24.896066     0.000000   -24.896066      4.5e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:17:46  -24.896128     0.000000   -24.896128      1.5e-13      1.7e-03
iter:   2  03:18:05  -24.896128     0.000000   -24.896128      1.4e-14      1.1e-03
iter:   3  03:18:23  -24.896128     0.000000   -24.896128      1.7e-13      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:19:12  -24.893638     0.000000   -24.893638      1.7e-13      2.8e-03
iter:   2  03:19:30  -24.893638     0.000000   -24.893638      6.5e-14      8.7e-04
iter:   3  03:19:48  -24.893639     0.000000   -24.893639      2.0e-13      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:20:36  -24.896466     0.000000   -24.896466      1.3e-13      1.0e-03
iter:   2  03:20:54  -24.896466     0.000000   -24.896466      6.5e-13      6.0e-04
iter:   3  03:21:13  -24.896466     0.000000   -24.896466      5.8e-14      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:22:49  -24.896483     0.000000   -24.896483      2.9e-13      8.8e-04
iter:   2  03:23:07  -24.896483     0.000000   -24.896483      3.3e-13      5.7e-04
iter:   3  03:23:26  -24.896483     0.000000   -24.896483      2.7e-13      9.3e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:24:15  -24.896052     0.000000   -24.896052      3.9e-13      6.3e-04
iter:   2  03:24:33  -24.896052     0.000000   -24.896052      1.9e-13      7.2e-04
iter:   3  03:24:52  -24.896052     0.000000   -24.896052      2.4e-13      5.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:31:17  -24.896549     0.000000   -24.896549      5.0e-14      5.4e-04
iter:   2  03:31:36  -24.896549     0.000000   -24.896549      3.6e-14      6.2e-04
iter:   3  03:31:54  -24.896549     0.000000   -24.896549      1.0e-13      2.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:46:26  -24.896552     0.000000   -24.896552      1.7e-13      7.6e-04
iter:   2  03:46:45  -24.896552     0.000000   -24.896552      8.7e-14      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:48:21  -24.896552     0.000000   -24.896552      8.9e-14      1.4e-03
iter:   2  03:48:40  -24.896552     0.000000   -24.896552      5.3e-15      3.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:49:29  -24.896552     0.000000   -24.896552      6.5e-14      8.0e-04
iter:   2  03:49:49  -24.896552     0.000000   -24.896552      4.4e-13      5.5e-04
iter:   3  03:50:07  -24.896552     0.000000   -24.896552      3.5e-14      7.6e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:53:23  -24.896551     0.000000   -24.896551      7.2e-14      1.5e-03
iter:   2  03:53:41  -24.896551     0.000000   -24.896551      2.6e-13      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:54:29  -24.896552     0.000000   -24.896552      4.7e-13      1.5e-03
iter:   2  03:54:48  -24.896552     0.000000   -24.896552      8.2e-14      4.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:56:28  -24.896551     0.000000   -24.896551      4.4e-14      2.9e-03
iter:   2  03:56:46  -24.896551     0.000000   -24.896551      1.1e-14      6.0e-04
iter:   3  03:57:05  -24.896549     0.000000   -24.896549      1.9e-13      4.1e-03
iter:   4  03:57:23  -24.896551     0.000000   -24.896551      3.3e-13      4.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:58:12  -24.896552     0.000000   -24.896552      1.6e-13      2.5e-03
iter:   2  03:58:30  -24.896551     0.000000   -24.896551      6.5e-14      5.9e-04
iter:   3  03:58:49  -24.896552     0.000000   -24.896552      1.9e-14      3.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  04:02:05  -24.896552     0.000000   -24.896552      6.7e-14      1.8e-03
iter:   2  04:02:24  -24.896552     0.000000   -24.896552      1.3e-13      5.4e-04
iter:   3  04:02:42  -24.896552     0.000000   -24.896552      1.2e-13      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  04:03:30  -24.896552     0.000000   -24.896552      2.2e-13      3.6e-03
iter:   2  04:03:49  -24.896552     0.000000   -24.896552      3.0e-13      9.0e-04
iter:   3  04:04:07  -24.896552     0.000000   -24.896552      1.5e-13      4.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  04:04:55  -24.896535     0.000000   -24.896535      1.4e-13      1.3e-03
iter:   2  04:05:14  -24.896535     0.000000   -24.896535      1.9e-13      4.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  04:06:52  -24.896552     0.000000   -24.896552      3.4e-13      1.1e-03
iter:   2  04:07:10  -24.896552     0.000000   -24.896552      3.1e-14      4.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  04:08:00  -24.896552     0.000000   -24.896552      2.0e-14      8.0e-04
iter:   2  04:08:19  -24.896552     0.000000   -24.896552      4.2e-13      7.7e-04
iter:   3  04:08:38  -24.896552     0.000000   -24.896552      1.2e-13      9.9e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  04:42:15  -24.896552     0.000000   -24.896552      0.0e+00      8.2e-04
iter:   2  04:42:32  -24.896552     0.000000   -24.896552      0.0e+00      1.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
Memory usage: 2.36 GiB
Date: Wed Jul 19 04:42:38 2023
