#!/bin/bash
#SBATCH --tasks-per-node=64
#SBATCH -N 1
#SBATCH -A cin_staff
#SBATCH -t 3:00:00


module load autoload armpl-for-armcompiler/19.0.0--binary
module load armcompiler/19.0--binary
module load arm-forge
module use $HOME/modules
module load openmpi/openmpi-4.0.0_Arm

start_time=$(date +"%s")
mpirun -np 64 $HOME/qe-6.3-fft/bin/pw.x -npool 2 -ndiag 16 -input ausurf.in
end_time=$(date +"%s")

walltime=$(($end_time-$start_time))
echo "walltime $walltime"

