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

User:   aes38@compute-63
Date:   Wed Jul 19 02:45:26 2023
Arch:   x86_64
Pid:    2170018
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  02:45:43   -4.663049     0.000000    -4.663049      5.0e-01      3.4e+00
iter:   2  02:46:01   -5.136278     0.000000    -5.136278      5.0e-01      1.9e+00
iter:   3  02:46:17   -5.222829     0.000000    -5.222829      5.0e-01      4.6e-01
iter:   4  02:46:36   -5.243246     0.000000    -5.243246      5.0e-01      1.1e-01
iter:   5  02:46:53   -5.239340     0.000000    -5.239340      5.0e-01      3.3e-01
iter:   6  02:47:11   -5.243639     0.000000    -5.243639      5.0e-01      2.0e-02
iter:   7  02:47:29   -5.243648     0.000000    -5.243648      1.2e-14      2.7e-03
iter:   8  02:47:47   -5.243649     0.000000    -5.243649      2.5e-15      1.8e-03
iter:   9  02:48:05   -5.243649     0.000000    -5.243649      1.2e-14      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:9
iter:   1  02:48:38   -6.672625     0.000000    -6.672625      5.0e-01      4.5e-01
iter:   2  02:48:56   -6.678679     0.000000    -6.678679      5.0e-01      2.5e-01
iter:   3  02:49:13   -6.683053     0.000000    -6.683053      5.0e-01      4.3e-02
iter:   4  02:49:31   -6.683265     0.000000    -6.683265      5.0e-01      9.9e-03
iter:   5  02:49:48   -6.683269     0.000000    -6.683269      2.1e-15      2.1e-03
iter:   6  02:50:07   -6.683269     0.000000    -6.683269      1.1e-14      9.9e-04
iter:   7  02:50:24   -6.683270     0.000000    -6.683270      8.8e-15      8.1e-05
INNER LOOP FINISHED.

Total number of e/g calls:7
iter:   1  02:51:05   -7.090363     0.000000    -7.090363      5.0e-01      3.8e-01
iter:   2  02:51:22   -7.095057     0.000000    -7.095057      5.0e-01      1.6e-01
iter:   3  02:51:39   -7.097039     0.000000    -7.097039      5.0e-01      3.0e-02
iter:   4  02:51:56   -7.097135     0.000000    -7.097135      8.4e-15      5.3e-03
iter:   5  02:52:13   -7.097136     0.000000    -7.097136      9.0e-15      1.6e-03
iter:   6  02:52:30   -7.097137     0.000000    -7.097137      2.8e-14      4.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  02:53:14   -7.155206     0.000000    -7.155206      5.0e-01      8.3e-02
iter:   2  02:53:31   -7.155417     0.000000    -7.155417      5.0e-01      2.5e-02
iter:   3  02:53:48   -7.155460     0.000000    -7.155460      2.5e-14      2.8e-03
iter:   4  02:54:05   -7.155461     0.000000    -7.155461      7.3e-15      4.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  02:54:48   -7.195302     0.000000    -7.195302      5.0e-01      7.4e-02
iter:   2  02:55:05   -7.195482     0.000000    -7.195482      5.0e-01      2.2e-02
iter:   3  02:55:22   -7.195544     0.000000    -7.195544      5.0e-01      5.7e-03
iter:   4  02:55:39   -7.195548     0.000000    -7.195548      2.2e-14      6.8e-04
iter:   5  02:55:56   -7.195548     0.000000    -7.195548      1.3e-14      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  02:56:38   -7.176394     0.000000    -7.176394      5.0e-01      3.7e-02
iter:   2  02:56:55   -7.176424     0.000000    -7.176424      5.0e-01      4.2e-02
iter:   3  02:57:12   -7.176586     0.000000    -7.176586      1.8e-14      3.3e-03
iter:   4  02:57:29   -7.176587     0.000000    -7.176587      2.1e-14      6.4e-04
iter:   5  02:57:46   -7.176587     0.000000    -7.176587      5.0e-15      8.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  02:58:28   -7.204852     0.000000    -7.204852      5.0e-01      1.2e-02
iter:   2  02:58:44   -7.204854     0.000000    -7.204854      5.0e-01      1.2e-02
iter:   3  02:59:01   -7.204869     0.000000    -7.204869      2.7e-14      1.2e-03
iter:   4  02:59:18   -7.204869     0.000000    -7.204869      4.0e-15      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  02:59:59   -7.224854     0.000000    -7.224854      5.0e-01      7.8e-03
iter:   2  03:00:15   -7.224858     0.000000    -7.224858      3.3e-14      3.7e-03
iter:   3  03:00:31   -7.224859     0.000000    -7.224859      2.8e-14      7.4e-04
iter:   4  03:00:47   -7.224859     0.000000    -7.224859      3.1e-14      8.6e-05
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:01:29   -7.228567     0.000000    -7.228567      2.5e-14      4.5e-03
iter:   2  03:01:45   -7.228567     0.000000    -7.228567      2.5e-14      2.2e-03
iter:   3  03:02:02   -7.228567     0.000000    -7.228567      2.8e-14      4.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:02:43   -7.228892     0.000000    -7.228892      7.6e-15      2.6e-03
iter:   2  03:03:00   -7.228892     0.000000    -7.228892      2.0e-14      1.4e-03
iter:   3  03:03:17   -7.228892     0.000000    -7.228892      1.7e-14      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:03:59   -7.228592     0.000000    -7.228592      2.2e-14      3.8e-03
iter:   2  03:04:15   -7.228593     0.000000    -7.228593      3.6e-14      2.1e-03
iter:   3  03:04:31   -7.228593     0.000000    -7.228593      8.8e-15      2.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:05:12   -7.228488     0.000000    -7.228488      1.0e-14      4.0e-03
iter:   2  03:05:28   -7.228488     0.000000    -7.228488      1.7e-14      1.4e-03
iter:   3  03:05:45   -7.228489     0.000000    -7.228489      1.3e-14      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:06:25   -7.229144     0.000000    -7.229144      1.9e-14      9.2e-04
iter:   2  03:06:41   -7.229144     0.000000    -7.229144      2.0e-14      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:08:06   -7.229163     0.000000    -7.229163      2.2e-14      6.2e-04
iter:   2  03:08:22   -7.229163     0.000000    -7.229163      1.7e-14      5.1e-04
iter:   3  03:08:39   -7.229163     0.000000    -7.229163      1.8e-14      5.2e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:09:21   -7.228798     0.000000    -7.228798      6.9e-15      1.5e-03
iter:   2  03:09:37   -7.228798     0.000000    -7.228798      1.7e-14      6.2e-04
iter:   3  03:09:53   -7.228798     0.000000    -7.228798      2.6e-14      9.4e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:28:00   -7.217408     0.000000    -7.217408      5.0e-01      1.7e-01
iter:   2  03:28:17   -7.216631     0.000000    -7.216631      5.0e-01      5.1e-02
iter:   3  03:28:33   -7.216556     0.000000    -7.216556      5.0e-01      1.8e-02
iter:   4  03:28:49   -7.216592     0.000000    -7.216592      1.0e-14      4.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:29:33   -7.230074     0.000000    -7.230074      5.0e-01      1.7e-01
iter:   2  03:29:49   -7.229250     0.000000    -7.229250      5.0e-01      5.3e-02
iter:   3  03:30:05   -7.229167     0.000000    -7.229167      5.0e-01      2.0e-02
iter:   4  03:30:21   -7.229211     0.000000    -7.229211      1.5e-14      5.2e-04
iter:   5  03:30:37   -7.229211     0.000000    -7.229211      1.3e-14      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:32:01   -7.229209     0.000000    -7.229209      2.0e-14      2.1e-03
iter:   2  03:32:18   -7.229208     0.000000    -7.229208      1.8e-14      5.7e-04
iter:   3  03:32:34   -7.229208     0.000000    -7.229208      1.4e-14      8.5e-04
iter:   4  03:32:50   -7.229208     0.000000    -7.229208      9.5e-15      1.2e-05
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:33:33   -7.229211     0.000000    -7.229211      7.0e-15      3.4e-03
iter:   2  03:33:49   -7.229211     0.000000    -7.229211      1.1e-14      1.0e-03
iter:   3  03:34:06   -7.229211     0.000000    -7.229211      2.0e-14      9.1e-04
iter:   4  03:34:23   -7.229211     0.000000    -7.229211      1.1e-14      1.7e-05
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:35:06   -7.229211     0.000000    -7.229211      3.2e-14      6.8e-04
iter:   2  03:35:22   -7.229211     0.000000    -7.229211      1.6e-14      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:36:05   -7.229211     0.000000    -7.229211      1.2e-14      5.2e-04
iter:   2  03:36:21   -7.229211     0.000000    -7.229211      2.8e-14      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:37:44   -7.228368     0.000000    -7.228368      5.0e-01      5.8e-02
iter:   2  03:38:00   -7.228279     0.000000    -7.228279      5.0e-01      1.8e-02
iter:   3  03:38:16   -7.228272     0.000000    -7.228272      1.2e-14      4.0e-03
iter:   4  03:38:32   -7.228273     0.000000    -7.228273      1.3e-14      1.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:39:13   -7.229312     0.000000    -7.229312      5.0e-01      6.0e-02
iter:   2  03:39:30   -7.229218     0.000000    -7.229218      5.0e-01      1.8e-02
iter:   3  03:39:47   -7.229209     0.000000    -7.229209      2.4e-14      4.3e-03
iter:   4  03:40:04   -7.229211     0.000000    -7.229211      8.5e-15      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  03:41:29   -7.229210     0.000000    -7.229210      3.6e-14      1.7e-03
iter:   2  03:41:45   -7.229210     0.000000    -7.229210      8.4e-15      5.2e-04
iter:   3  03:42:02   -7.229210     0.000000    -7.229210      1.3e-14      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:42:45   -7.229211     0.000000    -7.229211      1.1e-14      1.0e-03
iter:   2  03:43:02   -7.229211     0.000000    -7.229211      2.5e-14      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:44:26   -7.186321     0.000000    -7.186321      5.0e-01      2.5e-01
iter:   2  03:44:43   -7.184694     0.000000    -7.184694      5.0e-01      7.5e-02
iter:   3  03:44:59   -7.184549     0.000000    -7.184549      5.0e-01      3.6e-02
iter:   4  03:45:16   -7.184596     0.000000    -7.184596      1.0e-12      8.5e-04
iter:   5  03:45:32   -7.184596     0.000000    -7.184596      3.3e-12      3.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:46:14   -7.231076     0.000000    -7.231076      5.0e-01      2.6e-01
iter:   2  03:46:30   -7.229309     0.000000    -7.229309      5.0e-01      7.6e-02
iter:   3  03:46:47   -7.229159     0.000000    -7.229159      5.0e-01      3.8e-02
iter:   4  03:47:03   -7.229210     0.000000    -7.229210      1.3e-14      8.3e-04
iter:   5  03:47:19   -7.229210     0.000000    -7.229210      2.3e-14      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:48:00   -7.229211     0.000000    -7.229211      2.0e-14      1.0e-03
iter:   2  03:48:17   -7.229211     0.000000    -7.229211      2.7e-14      3.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:48:58   -7.229211     0.000000    -7.229211      5.4e-15      9.5e-04
iter:   2  03:49:14   -7.229211     0.000000    -7.229211      2.1e-14      3.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:49:58   -7.229211     0.000000    -7.229211      1.4e-14      6.7e-04
iter:   2  03:50:14   -7.229211     0.000000    -7.229211      1.4e-14      3.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  04:20:10   -7.229211     0.000000    -7.229211      0.0e+00      1.1e-03
iter:   2  04:20:24   -7.229211     0.000000    -7.229211      0.0e+00      1.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
Memory usage: 2.10 GiB
Date: Wed Jul 19 04:20:30 2023
