#!/bin/bash
#MSUB -r paral-bandpw_01   # Job name
#MSUB -T 1000            # Elapsed time of the job
#MSUB -A tgcc0002        # Project number
#MSUB -n 1               # Number of processors
#MSUB -o paral-bandpw_01.o # Standard output
#MSUB -e paral-bandpw_01.e # Error output

set -x

ABINIT=/ccc/work/cont005/pa0397/bottinf/6.10.1-public/curie/src/98_main/abinit
TMPDIR=$SCRATCHDIR/paral-bandpw_01
mkdir $TMPDIR
cd $TMPDIR

rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tparal_bandpw_01.in     $TMPDIR/
cp $BRIDGE_MSUB_PWD/tparal_bandpw_01.files  $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc      $TMPDIR/

ccc_mprun $ABINIT < tparal_bandpw_01.files > tparal_bandpw_01.log

cp $TMPDIR/tparal_bandpw_01.out $BRIDGE_MSUB_PWD/tparal_pw_01.out
cp $TMPDIR/tparal_bandpw_01.log $BRIDGE_MSUB_PWD/tparal_bandpw_01.log