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

User:   aes38@compute-63
Date:   Wed Jul 19 02:52:54 2023
Arch:   x86_64
Pid:    2170010
CWD:    /users/home/aes38/Rydberg/new/formaldehyde/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  02:53:13  -18.212083     0.000000   -18.212083      5.0e-01      5.1e+00
iter:   2  02:53:32  -18.764499     0.000000   -18.764499      5.0e-01      4.0e-01
iter:   3  02:53:52  -18.772732     0.000000   -18.772732      5.0e-01      5.0e-02
iter:   4  02:54:11  -18.772919     0.000000   -18.772919      5.0e-01      9.2e-03
iter:   5  02:54:30  -18.772923     0.000000   -18.772923      1.0e-14      1.3e-03
iter:   6  02:54:50  -18.772923     0.000000   -18.772923      2.9e-14      1.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  02:55:28  -18.939123     0.000000   -18.939123      5.0e-01      4.7e-01
iter:   2  02:55:47  -18.929761     0.000000   -18.929761      5.0e-01      7.5e-01
iter:   3  02:56:06  -18.946285     0.000000   -18.946285      1.9e-14      5.2e-03
iter:   4  02:56:25  -18.946287     0.000000   -18.946287      2.8e-14      3.7e-03
iter:   5  02:56:44  -18.946288     0.000000   -18.946288      2.2e-14      1.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  02:57:30  -19.071130     0.000000   -19.071130      5.0e-01      7.4e-01
iter:   2  02:57:49  -19.048616     0.000000   -19.048616      5.0e-01      1.2e+00
iter:   3  02:58:08  -19.088602     0.000000   -19.088602      5.0e-01      1.6e-02
iter:   4  02:58:26  -19.088622     0.000000   -19.088622      2.0e-14      4.6e-03
iter:   5  02:58:45  -19.088623     0.000000   -19.088623      1.0e-13      3.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  02:59:35  -19.096730     0.000000   -19.096730      5.0e-01      1.2e-01
iter:   2  02:59:53  -19.096329     0.000000   -19.096329      5.0e-01      1.6e-01
iter:   3  03:00:11  -19.097120     0.000000   -19.097120      3.7e-14      1.3e-03
iter:   4  03:00:29  -19.097120     0.000000   -19.097120      4.5e-14      6.6e-04
iter:   5  03:00:48  -19.097120     0.000000   -19.097120      3.3e-14      2.1e-05
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:01:37  -19.100874     0.000000   -19.100874      5.0e-01      1.5e-02
iter:   2  03:01:55  -19.100889     0.000000   -19.100889      5.0e-01      8.9e-03
iter:   3  03:02:14  -19.100892     0.000000   -19.100892      3.1e-14      7.3e-04
iter:   4  03:02:32  -19.100892     0.000000   -19.100892      2.2e-14      9.7e-04
iter:   5  03:02:50  -19.100892     0.000000   -19.100892      8.3e-14      1.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  03:03:38  -19.101382     0.000000   -19.101382      5.0e-01      2.3e-02
iter:   2  03:03:55  -19.101369     0.000000   -19.101369      5.0e-01      2.9e-02
iter:   3  03:04:12  -19.101395     0.000000   -19.101395      2.3e-14      3.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:05:01  -19.101552     0.000000   -19.101552      5.0e-01      8.3e-03
iter:   2  03:05:19  -19.101552     0.000000   -19.101552      5.0e-01      8.9e-03
iter:   3  03:05:37  -19.101554     0.000000   -19.101554      7.2e-14      2.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:06:26  -19.100972     0.000000   -19.100972      5.0e-14      3.0e-03
iter:   2  03:06:44  -19.100973     0.000000   -19.100973      1.0e-13      1.7e-03
iter:   3  03:07:02  -19.100973     0.000000   -19.100973      1.1e-13      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:07:52  -19.101642     0.000000   -19.101642      5.0e-14      1.4e-03
iter:   2  03:08:10  -19.101642     0.000000   -19.101642      1.7e-13      1.7e-03
iter:   3  03:08:28  -19.101642     0.000000   -19.101642      1.8e-14      3.6e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:09:18  -19.101648     0.000000   -19.101648      5.9e-14      6.5e-04
iter:   2  03:09:36  -19.101648     0.000000   -19.101648      2.2e-14      7.1e-04
iter:   3  03:09:54  -19.101648     0.000000   -19.101648      3.3e-14      1.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:10:43  -19.101645     0.000000   -19.101645      2.3e-14      5.1e-04
iter:   2  03:11:01  -19.101645     0.000000   -19.101645      1.5e-14      4.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  03:11:51  -19.101624     0.000000   -19.101624      8.1e-14      1.1e-03
iter:   2  03:12:09  -19.101624     0.000000   -19.101624      1.3e-14      1.5e-03
iter:   3  03:12:27  -19.101624     0.000000   -19.101624      4.6e-14      2.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  03:14:52  -19.101654     0.000000   -19.101654      3.3e-14      5.0e-04
iter:   2  03:15:10  -19.101654     0.000000   -19.101654      6.9e-14      6.6e-04
iter:   3  03:15:28  -19.101654     0.000000   -19.101654      7.3e-14      1.2e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
Memory usage: 2.18 GiB
Date: Wed Jul 19 03:51:07 2023
