#!/bin/bash -l
#SBATCH --job-name=QE_UN 
#SBATCH --account=def-szpunarb
#SBATCH --nodes=1
#SBATCH --tasks-per-node=64
#SBATCH --mem=0
#SBATCH --time=24:00:00

# Load the modules:

module load StdEnv/2023 gcc/12.3  openmpi/4.1.5 quantumespresso/7.3.1

echo "PWscf started at: `date`"

srun -n 64  epw.x -npool 64 <  un.epw1.in >  un.epw1.out

echo "Program finished with exit code $? at: `date`"