submit_job.pbs

#!/bin/bash
#PBS -A dp015
##### #PBS -q devel
#PBS -l nodes=1:ppn=36
#PBS -o output.txt
#PBS -e errors.txt
#PBS -l walltime=04:00:00
#PBS -M rr364@exeter.ac.uk
#PBS -N AbsCoeff

# Run on # nodes specified above with 1 MPI process and 12 OpenMP threads per
# node. For hyperthreading set OMP_NUM_THREADS to 24 but leave ppn=12 above.
export NUMBEROFNODES=$PBS_NUM_NODES
export NUMPROCS=$PBS_NUM_NODES
export OMP_NUM_THREADS=$PBS_NUM_PPN
# export OMP_STACKSIZE=16000000


module load intel/compilers/18.0.1
module load intel/mpi/18.0.1
# Change into the directory the job was submitted from
cd ${PBS_O_WORKDIR}

# Run the executable and redirect the output to a file
# Replace my_bin with the name of your executable
# mpdboot -n $NUMBEROFNODES -r ssh -f $PBS_NODEFILE
# mpiexec -perhost 1 -genv I_MPI_DEVICE rdssm:OpenIB-cma -genv I_MPI_PIN_DOMAIN omp -np $NUMPROCS ../bin/absCoeff.exe ${param_file} > dump_${param_file}.txt
# mpdallexit


./xcross.exe < ${param_file} > output_${param_file}.out