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

User:   aes38@compute-39
Date:   Wed Jul 19 02:54:38 2023
Arch:   x86_64
Pid:    2764744
CWD:    /users/home/aes38/Rydberg/new/ammonia/pbe/fd/mom/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  02:54:56  -11.277090     0.000000   -11.277090      5.0e-01      2.4e+00
iter:   2  02:55:14  -11.589303     0.000000   -11.589303      5.0e-01      1.5e+00
iter:   3  02:55:33  -11.666602     0.000000   -11.666602      5.0e-01      3.8e-01
iter:   4  02:55:52  -11.675361     0.000000   -11.675361      5.0e-01      5.6e-02
iter:   5  02:56:10  -11.675545     0.000000   -11.675545      5.0e-01      1.9e-02
iter:   6  02:56:28  -11.673960     0.000000   -11.673960      5.0e-01      1.6e-01
iter:   7  02:56:47  -11.675568     0.000000   -11.675568      5.0e-01      9.1e-03
iter:   8  02:57:05  -11.675567     0.000000   -11.675567      1.7e-12      6.9e-04
iter:   9  02:57:23  -11.675567     0.000000   -11.675567      1.7e-12      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  02:57:58  -12.720911     0.000000   -12.720911      5.0e-01      4.5e-01
iter:   2  02:58:17  -12.725016     0.000000   -12.725016      5.0e-01      1.4e-01
iter:   3  02:58:35  -12.726395     0.000000   -12.726395      5.0e-01      3.6e-02
iter:   4  02:58:54  -12.726502     0.000000   -12.726502      5.0e-01      8.0e-03
iter:   5  02:59:13  -12.726502     0.000000   -12.726502      2.3e-12      3.0e-03
iter:   6  02:59:31  -12.726502     0.000000   -12.726502      1.9e-12      1.3e-03
iter:   7  02:59:50  -12.726502     0.000000   -12.726502      1.9e-12      2.8e-05
INNER LOOP FINISHED.

Total number of e/g calls:7
iter:   1  03:00:32  -13.227304     0.000000   -13.227304      5.0e-01      6.7e-01
iter:   2  03:00:50  -13.236364     0.000000   -13.236364      5.0e-01      1.2e-01
iter:   3  03:01:09  -13.237828     0.000000   -13.237828      5.0e-01      3.2e-02
iter:   4  03:01:27  -13.237954     0.000000   -13.237954      3.5e-12      4.0e-03
iter:   5  03:01:46  -13.237955     0.000000   -13.237955      1.1e-12      9.8e-04
iter:   6  03:02:04  -13.237955     0.000000   -13.237955      3.5e-12      9.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  03:02:48  -13.282772     0.000000   -13.282772      5.0e-01      1.9e-01
iter:   2  03:03:07  -13.283443     0.000000   -13.283443      5.0e-01      3.5e-02
iter:   3  03:03:25  -13.283484     0.000000   -13.283484      2.7e-12      5.0e-03
iter:   4  03:03:43  -13.283487     0.000000   -13.283487      1.1e-12      6.4e-04
iter:   5  03:04:01  -13.283487     0.000000   -13.283487      2.4e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:04:45  -13.303127     0.000000   -13.303127      5.0e-01      1.2e-01
iter:   2  03:05:03  -13.303404     0.000000   -13.303404      5.0e-01      2.2e-02
iter:   3  03:05:21  -13.303455     0.000000   -13.303455      5.0e-01      5.7e-03
iter:   4  03:05:40  -13.303459     0.000000   -13.303459      3.4e-14      4.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:06:26  -13.302400     0.000000   -13.302400      5.0e-01      3.9e-02
iter:   2  03:06:44  -13.302482     0.000000   -13.302482      5.0e-01      2.9e-02
iter:   3  03:07:02  -13.302573     0.000000   -13.302573      2.2e-12      4.0e-03
iter:   4  03:07:20  -13.302574     0.000000   -13.302574      2.2e-12      5.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:08:04  -13.318995     0.000000   -13.318995      5.0e-01      5.1e-02
iter:   2  03:08:21  -13.319043     0.000000   -13.319043      5.0e-01      1.1e-02
iter:   3  03:08:39  -13.319060     0.000000   -13.319060      1.2e-12      2.9e-03
iter:   4  03:08:57  -13.319060     0.000000   -13.319060      2.9e-12      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:09:42  -13.322462     0.000000   -13.322462      5.0e-01      4.5e-02
iter:   2  03:09:59  -13.322495     0.000000   -13.322495      5.0e-01      8.3e-03
iter:   3  03:10:17  -13.322500     0.000000   -13.322500      2.2e-13      1.8e-03
iter:   4  03:10:35  -13.322500     0.000000   -13.322500      1.0e-12      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:11:18  -13.322429     0.000000   -13.322429      5.0e-01      1.9e-02
iter:   2  03:11:35  -13.322435     0.000000   -13.322435      4.2e-13      4.8e-03
iter:   3  03:11:53  -13.322437     0.000000   -13.322437      3.6e-13      9.5e-04
iter:   4  03:12:10  -13.322437     0.000000   -13.322437      4.4e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:12:54  -13.325332     0.000000   -13.325332      7.0e-13      2.9e-03
iter:   2  03:13:12  -13.325333     0.000000   -13.325333      8.8e-13      1.1e-03
iter:   3  03:13:30  -13.325333     0.000000   -13.325333      2.6e-13      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:14:13  -13.325472     0.000000   -13.325472      7.4e-13      1.6e-03
iter:   2  03:14:31  -13.325472     0.000000   -13.325472      9.4e-13      1.3e-03
iter:   3  03:14:48  -13.325472     0.000000   -13.325472      6.3e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:15:32  -13.325456     0.000000   -13.325456      5.5e-13      2.1e-03
iter:   2  03:15:49  -13.325456     0.000000   -13.325456      4.6e-13      1.6e-03
iter:   3  03:16:06  -13.325456     0.000000   -13.325456      5.9e-13      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:16:51  -13.324668     0.000000   -13.324668      2.1e-13      2.2e-03
iter:   2  03:17:09  -13.324668     0.000000   -13.324668      1.9e-13      1.3e-03
iter:   3  03:17:27  -13.324669     0.000000   -13.324669      3.8e-13      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:19:40  -13.325675     0.000000   -13.325675      3.4e-13      7.7e-04
iter:   2  03:19:57  -13.325675     0.000000   -13.325675      8.4e-13      5.9e-04
iter:   3  03:20:14  -13.325675     0.000000   -13.325675      1.6e-13      6.9e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:20:58  -13.325576     0.000000   -13.325576      7.3e-13      6.3e-04
iter:   2  03:21:16  -13.325577     0.000000   -13.325577      3.7e-13      4.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:23:29  -13.325690     0.000000   -13.325690      4.7e-13      7.2e-04
iter:   2  03:23:46  -13.325690     0.000000   -13.325690      4.9e-13      3.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:24:31  -13.325689     0.000000   -13.325689      8.5e-13      6.2e-04
iter:   2  03:24:48  -13.325689     0.000000   -13.325689      5.6e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:35:02  -13.325692     0.000000   -13.325692      1.1e-13      6.0e-04
iter:   2  03:35:19  -13.325692     0.000000   -13.325692      5.6e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:36:47  -13.325692     0.000000   -13.325692      4.6e-13      5.1e-04
iter:   2  03:37:04  -13.325692     0.000000   -13.325692      5.6e-13      1.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:38:32  -13.325692     0.000000   -13.325692      1.4e-13      5.1e-04
iter:   2  03:38:50  -13.325692     0.000000   -13.325692      1.3e-13      1.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:40:17  -13.325692     0.000000   -13.325692      2.1e-13      6.7e-04
iter:   2  03:40:35  -13.325692     0.000000   -13.325692      3.8e-13      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:42:01  -13.325692     0.000000   -13.325692      3.3e-13      1.1e-03
iter:   2  03:42:19  -13.325692     0.000000   -13.325692      5.6e-13      2.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:43:02  -13.325692     0.000000   -13.325692      7.0e-13      7.4e-04
iter:   2  03:43:20  -13.325692     0.000000   -13.325692      3.2e-13      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  04:18:47  -13.325692     0.000000   -13.325692      0.0e+00      6.6e-04
iter:   2  04:19:05  -13.325692     0.000000   -13.325692      0.0e+00      3.1e-05
INNER LOOP FINISHED.

Total number of e/g calls:2
Memory usage: 2.26 GiB
Date: Wed Jul 19 04:19:11 2023
