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

User:   aes38@compute-38
Date:   Wed Jul 19 13:17:12 2023
Arch:   x86_64
Pid:    279010
CWD:    /users/home/aes38/Rydberg/new/ethylene/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  13:17:30  -27.188229     0.000000   -27.188229      5.0e-01      4.3e-01
iter:   2  13:17:49  -27.201943     0.000000   -27.201943      5.0e-01      2.7e-01
iter:   3  13:18:09  -27.208783     0.000000   -27.208783      5.0e-01      3.6e-02
iter:   4  13:18:28  -27.208816     0.000000   -27.208816      5.0e-01      2.6e-02
iter:   5  13:18:47  -27.208854     0.000000   -27.208854      4.1e-15      1.4e-03
iter:   6  13:19:06  -27.208854     0.000000   -27.208854      2.7e-15      2.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  13:19:43  -27.338224     0.000000   -27.338224      5.0e-01      8.4e-02
iter:   2  13:20:02  -27.338850     0.000000   -27.338850      5.0e-01      1.9e-02
iter:   3  13:20:20  -27.338899     0.000000   -27.338899      8.6e-15      5.3e-03
iter:   4  13:20:39  -27.338902     0.000000   -27.338902      4.0e-15      4.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:21:26  -27.453625     0.000000   -27.453625      5.0e-01      1.3e-01
iter:   2  13:21:45  -27.455091     0.000000   -27.455091      5.0e-01      2.3e-02
iter:   3  13:22:04  -27.455171     0.000000   -27.455171      5.0e-01      6.0e-03
iter:   4  13:22:23  -27.455174     0.000000   -27.455174      7.7e-15      4.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:23:11  -27.468174     0.000000   -27.468174      5.0e-01      4.0e-02
iter:   2  13:23:30  -27.468296     0.000000   -27.468296      1.3e-14      4.3e-03
iter:   3  13:23:48  -27.468298     0.000000   -27.468298      6.3e-15      7.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:24:35  -27.473470     0.000000   -27.473470      5.0e-01      2.2e-02
iter:   2  13:24:54  -27.473513     0.000000   -27.473513      2.1e-15      4.7e-03
iter:   3  13:25:12  -27.473515     0.000000   -27.473515      7.0e-15      5.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:26:01  -27.473286     0.000000   -27.473286      2.5e-15      3.8e-03
iter:   2  13:26:19  -27.473288     0.000000   -27.473288      3.5e-15      2.5e-03
iter:   3  13:26:37  -27.473288     0.000000   -27.473288      5.9e-15      9.4e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:27:26  -27.478346     0.000000   -27.478346      5.6e-15      2.8e-03
iter:   2  13:27:44  -27.478347     0.000000   -27.478347      4.1e-15      7.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:28:32  -27.479415     0.000000   -27.479415      8.7e-15      1.1e-03
iter:   2  13:28:51  -27.479415     0.000000   -27.479415      4.2e-15      2.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:30:26  -27.479335     0.000000   -27.479335      6.7e-15      2.3e-03
iter:   2  13:30:45  -27.479336     0.000000   -27.479336      1.4e-14      6.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:33:09  -27.479821     0.000000   -27.479821      6.4e-15      1.3e-03
iter:   2  13:33:27  -27.479821     0.000000   -27.479821      6.5e-15      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
Memory usage: 2.36 GiB
Date: Wed Jul 19 14:22:34 2023
