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

User:   aes38@compute-63
Date:   Wed Jul 19 13:17:50 2023
Arch:   x86_64
Pid:    2184914
CWD:    /users/home/aes38/Rydberg/new/water/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  13:18:07   -4.801878     0.000000    -4.801878      5.0e-01      2.9e+00
iter:   2  13:18:25   -5.246132     0.000000    -5.246132      5.0e-01      1.7e+00
iter:   3  13:18:42   -5.344433     0.000000    -5.344433      5.0e-01      4.6e-01
iter:   4  13:19:00   -5.367151     0.000000    -5.367151      5.0e-01      1.1e-01
iter:   5  13:19:17   -5.357485     0.000000    -5.357485      5.0e-01      5.5e-01
iter:   6  13:19:35   -5.367596     0.000000    -5.367596      5.0e-01      2.1e-02
iter:   7  13:19:52   -5.367610     0.000000    -5.367610      5.3e-15      2.7e-03
iter:   8  13:20:10   -5.367611     0.000000    -5.367611      6.6e-15      6.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:8
iter:   1  13:20:43   -6.803872     0.000000    -6.803872      5.0e-01      6.0e-01
iter:   2  13:21:00   -6.811192     0.000000    -6.811192      5.0e-01      2.3e-01
iter:   3  13:21:18   -6.815475     0.000000    -6.815475      5.0e-01      5.1e-02
iter:   4  13:21:36   -6.815742     0.000000    -6.815742      5.0e-01      9.8e-03
iter:   5  13:21:54   -6.815747     0.000000    -6.815747      1.1e-14      3.8e-03
iter:   6  13:22:11   -6.815747     0.000000    -6.815747      5.7e-15      1.1e-03
iter:   7  13:22:29   -6.815747     0.000000    -6.815747      4.4e-15      1.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:7
iter:   1  13:23:09   -7.235159     0.000000    -7.235159      5.0e-01      5.5e-01
iter:   2  13:23:26   -7.241320     0.000000    -7.241320      5.0e-01      1.5e-01
iter:   3  13:23:43   -7.243363     0.000000    -7.243363      5.0e-01      3.6e-02
iter:   4  13:24:00   -7.243490     0.000000    -7.243490      5.0e-01      5.7e-03
iter:   5  13:24:17   -7.243493     0.000000    -7.243493      1.0e-14      2.5e-03
iter:   6  13:24:35   -7.243493     0.000000    -7.243493      9.9e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  13:25:17   -7.310542     0.000000    -7.310542      5.0e-01      1.7e-01
iter:   2  13:25:35   -7.310959     0.000000    -7.310959      5.0e-01      3.7e-02
iter:   3  13:25:52   -7.311029     0.000000    -7.311029      5.7e-15      4.7e-03
iter:   4  13:26:09   -7.311031     0.000000    -7.311031      6.3e-15      8.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:26:51   -7.363943     0.000000    -7.363943      5.0e-01      1.7e-01
iter:   2  13:27:09   -7.364354     0.000000    -7.364354      5.0e-01      3.4e-02
iter:   3  13:27:27   -7.364466     0.000000    -7.364466      5.0e-01      1.0e-02
iter:   4  13:27:44   -7.364475     0.000000    -7.364475      1.3e-14      1.3e-03
iter:   5  13:28:01   -7.364475     0.000000    -7.364475      1.7e-14      4.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:28:43   -7.318232     0.000000    -7.318232      5.0e-01      4.2e-02
iter:   2  13:29:00   -7.318192     0.000000    -7.318192      5.0e-01      5.0e-02
iter:   3  13:29:17   -7.318409     0.000000    -7.318409      4.2e-14      2.9e-03
iter:   4  13:29:34   -7.318410     0.000000    -7.318410      2.7e-14      6.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:30:16   -7.361176     0.000000    -7.361176      5.0e-01      2.6e-02
iter:   2  13:30:32   -7.361184     0.000000    -7.361184      5.0e-01      1.1e-02
iter:   3  13:30:49   -7.361197     0.000000    -7.361197      4.1e-13      1.8e-03
iter:   4  13:31:06   -7.361197     0.000000    -7.361197      1.3e-13      2.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:31:50   -7.401654     0.000000    -7.401654      5.0e-01      2.8e-02
iter:   2  13:32:06   -7.401662     0.000000    -7.401662      3.3e-15      4.9e-03
iter:   3  13:32:23   -7.401664     0.000000    -7.401664      7.7e-15      1.7e-03
iter:   4  13:32:39   -7.401664     0.000000    -7.401664      1.5e-14      1.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:33:22   -7.405397     0.000000    -7.405397      5.0e-01      6.7e-03
iter:   2  13:33:38   -7.405398     0.000000    -7.405398      7.0e-15      1.9e-03
iter:   3  13:33:54   -7.405398     0.000000    -7.405398      1.3e-14      3.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:34:37   -7.406163     0.000000    -7.406163      5.0e-01      1.2e-02
iter:   2  13:34:53   -7.406164     0.000000    -7.406164      2.1e-14      2.4e-03
iter:   3  13:35:10   -7.406165     0.000000    -7.406165      6.6e-15      7.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:35:52   -7.405858     0.000000    -7.405858      5.0e-01      7.2e-03
iter:   2  13:36:08   -7.405859     0.000000    -7.405859      1.3e-14      1.6e-03
iter:   3  13:36:24   -7.405859     0.000000    -7.405859      1.3e-14      4.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:37:06   -7.406297     0.000000    -7.406297      5.0e-01      6.4e-03
iter:   2  13:37:22   -7.406298     0.000000    -7.406298      9.4e-15      1.3e-03
iter:   3  13:37:39   -7.406298     0.000000    -7.406298      1.3e-14      3.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:38:22   -7.406351     0.000000    -7.406351      1.0e-14      3.5e-03
iter:   2  13:38:39   -7.406352     0.000000    -7.406352      1.1e-14      7.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:39:22   -7.406420     0.000000    -7.406420      7.7e-15      2.3e-03
iter:   2  13:39:39   -7.406420     0.000000    -7.406420      1.3e-14      3.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:41:04   -7.406471     0.000000    -7.406471      1.9e-14      1.4e-03
iter:   2  13:41:20   -7.406471     0.000000    -7.406471      1.4e-14      4.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
Memory usage: 2.11 GiB
Date: Wed Jul 19 14:16:57 2023
