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Mohammad Maymoun
Aug 22, 2025, 3:29:40 AMAug 22
to koopmans-users
Dear users,
I hope you are well.
I installed Koopmans's code in the home directory.
When I ran the code using Koopmans's ozone.json file,
I received the following error:
I hope you are well.
I installed Koopmans's code in the home directory.
When I ran the code using Koopmans's ozone.json file,
I received the following error:
CalculationFailed: Calculator "dft_init_nspin1" failed with command
"mpirun kcp.x -in dft_init_nspin1.cpi > dft_init_nspin1.cpo 2>&1"
failed in /home/maymoun/01-koopmans-dscf/01-initialization/01-dft_init_nspin1
with error code 143
I would appreciate your assistance in resolving this issue.
"mpirun kcp.x -in dft_init_nspin1.cpi > dft_init_nspin1.cpo 2>&1"
failed in /home/maymoun/01-koopmans-dscf/01-initialization/01-dft_init_nspin1
with error code 143
I would appreciate your assistance in resolving this issue.
Edward Linscott
Aug 22, 2025, 3:32:13 AMAug 22
to koopmans-users
Dear Mohammad,
You should inspect the failed calculation in the folder /home/maymoun/01-koopmans-dscf/01-initialization/01-dft_init_nspin1 -- there should be a message at the end of the output file (dft_init_nspin1.cpo) telling you why it failed.
Best wishes,
Edward
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