Three additional comments:
1) If you are running the slurm.job script as Non-Interactive [1,2],
you might need a "source /etc/profile.d/ummodules.csh" line like that at
[3].
[1] https://slurm.schedmd.com/faq.html#sbatch_srun
[2]
For certain, "/opt/exp_soft/local/generic/openmpi/4.1.0_gcc620/bin/mpiexec
/home/users/mollabashi/codes/v21.1/run_lapw -p" is completely wrong. You do
not, repear do not use mpirun or mpiexec to start run_lapw. It has to be
started by simply "run_lapw -p ..." by itself.
I suggest that you create
Dear all WIEN2k users,
Thank you for your guides.
>take care on the correct location ...
It is the /usr/share/Modules/init
After adding the “source /usr/share/Modules/init/tcsh” line in to the
script the same error appeared:
mpirun: command not found
In fact, with and without “source
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