#!/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=68:00:00

# Load the modules:

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

echo "PWscf started at: `date`"

srun   pw.x  <  un.scf.in  >   un.scf.out
srun   ph.x  <  un.ph.in  >   un.ph.out

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