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

User:   aes38@compute-73
Date:   Fri Jul 14 16:20:03 2023
Arch:   x86_64
Pid:    1521442
CWD:    /users/home/aes38/Rydberg/new/ethylene/pbe/fd/firstext
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  16:20:14  -26.199854     0.000000   -26.199854      5.0e-01      3.4e-01
iter:   2  16:21:23  -26.211729     0.000000   -26.211729      5.0e-01      8.4e-02
iter:   3  16:21:53  -26.213757     0.000000   -26.213757      5.0e-01      2.9e-02
iter:   4  16:22:24  -26.213974     0.000000   -26.213974      5.0e-01      1.1e-02
iter:   5  16:22:54  -26.214013     0.000000   -26.214013      5.4e-15      2.1e-03
iter:   6  16:23:25  -26.214014     0.000000   -26.214014      1.0e-15      1.6e-03
iter:   7  16:23:56  -26.214015     0.000000   -26.214015      3.4e-15      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:23
iter:   1  16:24:16  -26.294598     0.000000   -26.294598      5.0e-01      5.8e-02
iter:   2  16:25:07  -26.295056     0.000000   -26.295056      5.0e-01      1.4e-02
iter:   3  16:25:38  -26.295109     0.000000   -26.295109      2.4e-15      4.5e-03
iter:   4  16:26:09  -26.295115     0.000000   -26.295115      3.9e-15      1.5e-03
iter:   5  16:26:39  -26.295116     0.000000   -26.295116      1.0e-15      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:15
iter:   1  16:27:05  -26.342409     0.000000   -26.342409      5.0e-01      6.8e-02
iter:   2  16:27:56  -26.343039     0.000000   -26.343039      5.0e-01      1.4e-02
iter:   3  16:28:25  -26.343107     0.000000   -26.343107      8.8e-15      3.4e-03
iter:   4  16:28:55  -26.343111     0.000000   -26.343111      8.2e-15      1.1e-03
iter:   5  16:29:25  -26.343112     0.000000   -26.343112      5.6e-15      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:15
iter:   1  16:29:52  -26.344930     0.000000   -26.344930      5.0e-01      8.5e-03
iter:   2  16:30:41  -26.344940     0.000000   -26.344940      1.5e-14      1.6e-03
iter:   3  16:31:11  -26.344940     0.000000   -26.344940      1.0e-14      4.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  16:31:39  -26.344667     0.000000   -26.344667      7.5e-15      3.4e-03
iter:   2  16:32:28  -26.344668     0.000000   -26.344668      3.9e-15      3.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:32:55  -26.345625     0.000000   -26.345625      3.4e-15      1.6e-03
iter:   2  16:33:44  -26.345625     0.000000   -26.345625      7.4e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:34:11  -26.346027     0.000000   -26.346027      2.7e-15      5.5e-04
iter:   2  16:35:00  -26.346027     0.000000   -26.346027      6.5e-15      2.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:35:54  -26.346059     0.000000   -26.346059      3.9e-15      7.9e-04
iter:   2  16:36:43  -26.346059     0.000000   -26.346059      1.1e-14      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:46:47  -26.346091     0.000000   -26.346091      2.3e-14      1.0e-03
iter:   2  16:47:36  -26.346091     0.000000   -26.346091      1.2e-14      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:48:32  -26.346091     0.000000   -26.346091      2.2e-15      1.0e-03
iter:   2  16:49:21  -26.346091     0.000000   -26.346091      9.2e-15      3.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:49:50  -26.346091     0.000000   -26.346091      5.0e-01      6.7e-03
iter:   2  16:50:39  -26.346090     0.000000   -26.346090      7.0e-15      1.9e-03
iter:   3  16:51:08  -26.346091     0.000000   -26.346091      3.8e-15      1.2e-03
iter:   4  16:51:38  -26.346091     0.000000   -26.346091      1.4e-14      5.4e-04
iter:   5  16:52:08  -26.346091     0.000000   -26.346091      6.3e-15      1.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:15
iter:   1  16:52:37  -26.346091     0.000000   -26.346091      1.4e-14      4.2e-03
iter:   2  16:53:26  -26.346091     0.000000   -26.346091      1.9e-14      1.4e-03
iter:   3  16:53:55  -26.346091     0.000000   -26.346091      5.3e-15      9.7e-04
iter:   4  16:54:24  -26.346091     0.000000   -26.346091      1.1e-14      3.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  16:54:53  -26.346086     0.000000   -26.346086      9.7e-15      9.2e-04
iter:   2  16:55:42  -26.346086     0.000000   -26.346086      6.6e-15      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:56:10  -26.346091     0.000000   -26.346091      1.4e-14      1.4e-03
iter:   2  16:56:59  -26.346091     0.000000   -26.346091      7.8e-15      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  16:57:28  -26.346091     0.000000   -26.346091      2.0e-14      2.3e-03
iter:   2  16:58:16  -26.346091     0.000000   -26.346091      6.9e-15      6.7e-04
iter:   3  16:58:46  -26.346091     0.000000   -26.346091      7.9e-15      3.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  16:59:13  -26.346091     0.000000   -26.346091      7.2e-15      6.3e-04
iter:   2  17:00:02  -26.346091     0.000000   -26.346091      3.5e-15      6.6e-04
iter:   3  17:00:31  -26.346091     0.000000   -26.346091      9.1e-15      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:01:26  -26.346091     0.000000   -26.346091      1.0e-14      3.1e-03
iter:   2  17:02:15  -26.346090     0.000000   -26.346090      3.7e-15      1.1e-03
iter:   3  17:02:44  -26.346090     0.000000   -26.346090      2.8e-15      7.0e-04
iter:   4  17:03:13  -26.346090     0.000000   -26.346090      3.2e-15      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:03:41  -26.346091     0.000000   -26.346091      6.5e-15      1.8e-03
iter:   2  17:04:30  -26.346091     0.000000   -26.346091      2.2e-14      7.4e-04
iter:   3  17:05:00  -26.346091     0.000000   -26.346091      1.4e-14      4.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:05:55  -26.346091     0.000000   -26.346091      4.0e-15      1.2e-03
iter:   2  17:06:44  -26.346091     0.000000   -26.346091      9.2e-15      5.3e-04
iter:   3  17:07:14  -26.346091     0.000000   -26.346091      3.9e-15      2.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:07:41  -26.346091     0.000000   -26.346091      1.3e-14      7.1e-04
iter:   2  17:08:29  -26.346091     0.000000   -26.346091      1.2e-14      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:08:58  -26.346090     0.000000   -26.346090      1.3e-15      5.0e-03
iter:   2  17:09:46  -26.346089     0.000000   -26.346089      1.3e-15      9.6e-04
iter:   3  17:10:15  -26.346089     0.000000   -26.346089      6.5e-16      5.6e-04
iter:   4  17:10:45  -26.346089     0.000000   -26.346089      8.9e-16      2.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:11:13  -26.346092     0.000000   -26.346092      3.8e-15      4.2e-03
iter:   2  17:12:02  -26.346091     0.000000   -26.346091      5.8e-15      1.0e-03
iter:   3  17:12:31  -26.346091     0.000000   -26.346091      6.2e-15      6.4e-04
iter:   4  17:13:01  -26.346091     0.000000   -26.346091      9.1e-15      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:13:56  -26.346091     0.000000   -26.346091      3.3e-14      7.3e-04
iter:   2  17:14:45  -26.346091     0.000000   -26.346091      8.1e-15      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:15:13  -26.346091     0.000000   -26.346091      5.0e-01      5.5e-03
iter:   2  17:16:01  -26.346089     0.000000   -26.346089      3.8e-15      1.6e-03
iter:   3  17:16:30  -26.346089     0.000000   -26.346089      7.0e-15      1.2e-03
iter:   4  17:17:00  -26.346089     0.000000   -26.346089      6.9e-15      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:17:29  -26.346092     0.000000   -26.346092      3.4e-15      5.2e-03
iter:   2  17:18:17  -26.346091     0.000000   -26.346091      5.5e-15      1.9e-03
iter:   3  17:18:46  -26.346091     0.000000   -26.346091      1.5e-14      1.3e-03
iter:   4  17:19:15  -26.346091     0.000000   -26.346091      7.6e-15      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:20:38  -26.346091     0.000000   -26.346091      1.8e-15      7.0e-04
iter:   2  17:21:26  -26.346091     0.000000   -26.346091      1.4e-15      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:21:53  -26.346091     0.000000   -26.346091      5.0e-01      5.7e-03
iter:   2  17:22:41  -26.346089     0.000000   -26.346089      7.7e-15      2.1e-03
iter:   3  17:23:10  -26.346089     0.000000   -26.346089      1.4e-14      1.6e-03
iter:   4  17:23:39  -26.346089     0.000000   -26.346089      7.7e-15      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:24:06  -26.346092     0.000000   -26.346092      9.3e-15      5.3e-03
iter:   2  17:24:55  -26.346091     0.000000   -26.346091      1.4e-14      2.3e-03
iter:   3  17:25:25  -26.346091     0.000000   -26.346091      1.7e-15      1.6e-03
iter:   4  17:25:54  -26.346091     0.000000   -26.346091      8.4e-15      1.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:26:49  -26.346091     0.000000   -26.346091      1.2e-14      2.2e-03
iter:   2  17:27:14  -26.346090     0.000000   -26.346090      1.0e-14      1.1e-03
iter:   3  17:27:41  -26.346090     0.000000   -26.346090      6.4e-15      6.0e-04
iter:   4  17:28:10  -26.346090     0.000000   -26.346090      2.2e-15      6.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:28:37  -26.346091     0.000000   -26.346091      9.1e-15      1.7e-03
iter:   2  17:29:25  -26.346091     0.000000   -26.346091      2.1e-14      9.0e-04
iter:   3  17:29:53  -26.346091     0.000000   -26.346091      9.5e-15      5.0e-04
iter:   4  17:30:22  -26.346091     0.000000   -26.346091      1.8e-14      1.9e-05
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:31:42  -26.346091     0.000000   -26.346091      8.5e-15      1.3e-03
iter:   2  17:32:28  -26.346091     0.000000   -26.346091      4.1e-15      6.9e-04
iter:   3  17:32:57  -26.346091     0.000000   -26.346091      1.7e-14      3.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:33:23  -26.346091     0.000000   -26.346091      1.3e-14      1.6e-03
iter:   2  17:34:11  -26.346091     0.000000   -26.346091      8.2e-15      4.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:34:39  -26.346091     0.000000   -26.346091      4.9e-15      1.4e-03
iter:   2  17:35:26  -26.346091     0.000000   -26.346091      1.2e-14      3.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:36:19  -26.346091     0.000000   -26.346091      1.6e-14      5.5e-04
iter:   2  17:37:07  -26.346091     0.000000   -26.346091      1.2e-14      5.3e-04
iter:   3  17:37:36  -26.346091     0.000000   -26.346091      8.1e-15      2.4e-05
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:38:04  -26.346074     0.000000   -26.346074      3.7e-15      4.2e-03
iter:   2  17:38:50  -26.346073     0.000000   -26.346073      1.4e-14      3.5e-03
iter:   3  17:39:18  -26.346073     0.000000   -26.346073      1.3e-14      3.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:39:44  -26.346092     0.000000   -26.346092      1.3e-14      4.0e-03
iter:   2  17:40:32  -26.346091     0.000000   -26.346091      1.3e-14      2.9e-03
iter:   3  17:41:01  -26.346091     0.000000   -26.346091      1.2e-14      7.2e-04
iter:   4  17:41:30  -26.346091     0.000000   -26.346091      1.3e-14      4.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:43:15  -26.346091     0.000000   -26.346091      2.7e-14      8.6e-04
iter:   2  17:44:04  -26.346091     0.000000   -26.346091      1.6e-14      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:44:56  -26.346091     0.000000   -26.346091      4.6e-15      2.5e-03
iter:   2  17:45:44  -26.346091     0.000000   -26.346091      3.1e-15      5.3e-04
iter:   3  17:46:13  -26.346091     0.000000   -26.346091      1.0e-14      3.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  17:46:40  -26.346092     0.000000   -26.346092      2.9e-15      1.8e-03
iter:   2  17:47:28  -26.346091     0.000000   -26.346091      1.3e-14      4.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:47:54  -26.346091     0.000000   -26.346091      9.4e-15      1.3e-03
iter:   2  17:48:42  -26.346091     0.000000   -26.346091      4.8e-15      2.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:50:02  -26.346091     0.000000   -26.346091      2.3e-14      6.7e-04
iter:   2  17:50:50  -26.346091     0.000000   -26.346091      1.5e-14      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  17:52:36  -26.346067     0.000000   -26.346067      5.0e-01      1.1e-02
iter:   2  17:53:24  -26.346060     0.000000   -26.346060      1.8e-12      3.4e-03
iter:   3  17:53:52  -26.346059     0.000000   -26.346059      3.0e-13      2.6e-03
iter:   4  17:54:21  -26.346059     0.000000   -26.346059      1.5e-12      5.2e-04
iter:   5  17:54:49  -26.346059     0.000000   -26.346059      2.2e-12      8.8e-05
INNER LOOP FINISHED.

Total number of e/g calls:15
iter:   1  17:55:16  -26.346098     0.000000   -26.346098      5.0e-01      1.0e-02
iter:   2  17:56:04  -26.346091     0.000000   -26.346091      1.8e-15      3.3e-03
iter:   3  17:56:33  -26.346091     0.000000   -26.346091      1.8e-14      2.5e-03
iter:   4  17:57:02  -26.346091     0.000000   -26.346091      8.4e-15      4.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  17:58:23  -26.346091     0.000000   -26.346091      6.0e-15      2.2e-03
iter:   2  17:59:10  -26.346091     0.000000   -26.346091      7.8e-15      1.3e-03
iter:   3  17:59:39  -26.346091     0.000000   -26.346091      2.4e-14      7.1e-04
iter:   4  18:00:07  -26.346091     0.000000   -26.346091      2.3e-15      1.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  18:00:33  -26.346092     0.000000   -26.346092      5.6e-16      3.3e-03
iter:   2  18:01:20  -26.346091     0.000000   -26.346091      1.1e-14      1.3e-03
iter:   3  18:01:49  -26.346091     0.000000   -26.346091      6.8e-15      1.1e-03
iter:   4  18:02:18  -26.346091     0.000000   -26.346091      6.2e-15      4.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:12
iter:   1  18:02:45  -26.346091     0.000000   -26.346091      2.6e-15      1.2e-03
iter:   2  18:03:34  -26.346091     0.000000   -26.346091      6.7e-15      1.7e-03
iter:   3  18:04:02  -26.346091     0.000000   -26.346091      1.3e-14      5.4e-05
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  18:04:28  -26.346091     0.000000   -26.346091      6.6e-15      1.2e-03
iter:   2  18:05:16  -26.346091     0.000000   -26.346091      9.1e-15      1.4e-03
iter:   3  18:05:44  -26.346091     0.000000   -26.346091      5.9e-15      2.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:9
Memory usage: 4.45 GiB
Date: Fri Jul 14 18:26:36 2023
