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#!/bin/bash
#PBS -P <compute_project_code>
#PBS -q normalsr
#PBS -l ncpus=208,walltime=0:30:00,mem=1000GB,jobfs=100GB
#PBS -l storage=scratch/<project_code>+gdata/up99+gdata/<project_code>

module use /g/data/up99/modulefiles
module load femtic/4.2

cd <directory_with_FEMTIC_dat_files>

HOSTFILE="my_intelmpi_hostfile"

uniq < $PBS_NODEFILE > $HOSTFILE

mpirun -np 2426 -ppn 13 -genv I_MPI_EXTRA_FILESYSTEM_FORCE=lustre -genv I_MPI_DEBUG=5 -hostfile $HOSTFILE femtic >& output.log