It shows EXECUTING: /usr/local/WIEN2k/nmr_mpi -case MS_2M1_Al2
-mode current -green -scratch /scratch/WIEN2k/ -noco
in all cases and in htop the values I provided below.
Best regards,
Michael
Am 12.05.2024 um 16:01 schrieb Peter Blaha:
This makes sense.
Please let me know
This makes sense.
Please let me know if it shows
EXECUTING: /usr/local/WIEN2k/nmr_mpi -case MS_2M1_Al2 -mode
current-green -scratch /scratch/WIEN2k/ -noco
or onlynmr -case ...
In any case, it is running correctly.
PS: I know that also the current step needs a lot of
Dear Peter,Thank you very much for your guide and help.Sorry for my delay for
replying.With best,Morteza
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Hello all, hello Peter,
That is what is really running in the background (from htop: this is a
new job with 4 nodes but it was the same with 8 nodes -p 1 - 8), so no
nmr_mpi.
TIME+ Command
96.0 14.9 19h06:05 /usr/local/WIEN2k/nmr -case MS_2M1_A12 -mode current
-green -scratch
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