#!/bin/bash -l
#SBATCH --job-name=QE_UN        
#SBATCH --account=rrg-szpunarb-ad   
#SBATCH --nodes=1
#SBATCH --tasks-per-node=48
#SBATCH --mem-per-cpu=1800M
#SBATCH --time=120:00:00

# Load the modules:

module load nixpkgs/16.09 intel/2016.4  openmpi/2.1.1  quantumespresso/6.2.2
export ESPRESSO_TMPDIR=$SLURM_TMPDIR

echo "PWscf started at: `date`"

srun pw.x  < pw.in  >  pw.out
srun ph.x  < ph.in  >  ph.out
srun q2r.x  < q2r.in  >  q2r.out
srun matdyn.x < matdyn.in  > matdyn.out
srun matdyn.x < phdos.in  > phdos.out


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