If you already have a properly built and tested executable, submitting the job is a piece of cake.
For example, to submit a parallel Qs
job, proceed as follows:
Qs.csh
, containing the following (the -np 4
flag says that we want to use four cores for this job) :#!/bin/tcsh -f mpirun -np 4 Qs_MPI example.in > LOG exit
sbatch -p fast -N1 -n4 Qs.csh
sbatch -N1 -n4 Qs.csh
mpicc
to build it yourself).