#!/bin/bash 
#PBS -S /bin/bash 
#PBS -l pmem=5000mb 
#PBS -l procs=8
#PBS -l walltime=24:00:00 
#PBS -M jir520@mail.usask.ca

cd $PBS_O_WORKDIR  


module load application/espresso/6.0

echo "PWscf started at: `date`"
mpiexec  -n 24 pw.x -npool 24 < scf.in > scf.out
mpiexec  -n 24 pw.x -npool 24 < nscf.in > nscf.out
mpiexec  -n 24 epw.x -npool 24 < epw.in > epw.out
mpiexec  -n 24 epw.x -npool 24 < epw2.in > epw2.ou
echo "PWscf finished at: `date`"