#!/bin/bash 
#PBS -r n 
#PBS -l walltime=12:00:00 
#PBS -l procs=8
#PBS -l pmem=3000m
#PBS -m bea

module load espresso/6.1

cd $PBS_O_WORKDIR
echo "PWscf started at: `date`" 
mpiexec  -n 8 pw.x -npool 8 < scf.in > scf.out
mpiexec  -n 8 pw.x -npool 8 < nscf.in > nscf.out
mpiexec  -n 8 epw.x -npool 8 < epw.in > epw.out
mpiexec  -n 8 epw.x -npool 8 < epw2.in > epw2.out

echo "Run finished at: `date`"