#!/bin/bash #SBATCH -N1 #SBATCH --job-name=ausurf-1 #SBATCH --tasks-per-node=10 ##SBATCH --cpus-per-task=1 #SBATCH --time=30:00 export OMP_NUM_THREADS=1 QE_HOME=$HOME/q-e-qe-6.3 start_time=$(date +"%s") ${EXTRAE_HOME}/bin/mpi2prv -f TRACE.mpits -e $QE_HOME/bin/pw.x -o trace.prv end_time=$(date +"%s") walltime=$(($end_time-$start_time)) echo "walltime $walltime"