Can you help with vasp/5.5.4-omc submission script? I tried to submit jobs with same submission  script as vasp 5.5.4 but it doesn't work and it sends me the error message:

Primary job  terminated normally, but 1 process returned a non-zero exit code.. Per user-direction, the job has been aborted.

mpirun detected that one or more processes exited with non-zero status, thus causing the job to be terminated. 

The first process to do so was:

  Process name: [[2821,1],21]

  Exit code:    29

Submission script I use for vasp/5.5.4-omc is

#$ -S /bin/bash

#$ -q parallel

#$ -l node_type=10Geth*

#$ -l nodes=2

source /etc/profile

module load vasp/5.4.4-omc

mkdir OUTPUT

cd OUTPUT

for x in INCAR KPOINTS POTCAR POSCAR; do ln -s ../$x .; done

mpirun -np 16 vasp_std

rm INCAR KPOINTS POTCAR POSCAR

echo "Job finished at"

date

################### Job Ended ###################

exit 0

The script is same as for "plain" vasp/5.4.4 except for:

module load vasp/5.4.4-omc   AND 

mpirun -np 16 vasp_std 

since I googled it and they suggest for running non default modules to add number of processes, in this case -np 16 as we have 16 cores per node on our computer cluster.

However, 16 is number of cores/processes/nodes although not sure about it as I went through different interpretations. This matches the number of cores (32) I got in OUTCAR when working with vasp/5.4.4. or else it's  -np 16 as it's meant to be number of cores/processes per node and I choose to work with l=nodes=2?

 

Any ideas or suggestions, please?

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