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#!/bin/bash
#MSUB -r paral-gspw_03 # Job name
#MSUB -T 1000 # Elapsed time of the job
#MSUB -A tgcc0002 # Project number
#MSUB -n 108 # Number of processors
#MSUB -o paral-gspw_03.o # Standard output
#MSUB -e paral-gspw_03.e # Error output
set -x
ABINIT=/ccc/work/cont005/pa0397/bottinf/6.10.1-public/curie/src/98_main/abinit
TMPDIR=$SCRATCHDIR/paral-gspw_03
mkdir $TMPDIR
cd $TMPDIR
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_03.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_03.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 27 npfft 4 bandpp 1" >>$TMPDIR/tgspw_03.in
ccc_mprun $ABINIT < tgspw_03.files > tgspw_03.log
cp $TMPDIR/tgspw_03.out $BRIDGE_MSUB_PWD/tgspw_03.bandpp1.out
cp $TMPDIR/tgspw_03.log $BRIDGE_MSUB_PWD/tgspw_03.bandpp1.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_03.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_03.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 27 npfft 4 bandpp 2" >>$TMPDIR/tgspw_03.in
ccc_mprun $ABINIT < tgspw_03.files > tgspw_03.log
cp $TMPDIR/tgspw_03.out $BRIDGE_MSUB_PWD/tgspw_03.bandpp2.out
cp $TMPDIR/tgspw_03.log $BRIDGE_MSUB_PWD/tgspw_03.bandpp2.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_03.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_03.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 54 npfft 2 bandpp 1" >>$TMPDIR/tgspw_03.in
ccc_mprun $ABINIT < tgspw_03.files > tgspw_03.log
cp $TMPDIR/tgspw_03.out $BRIDGE_MSUB_PWD/tgspw_03.054-02.out
cp $TMPDIR/tgspw_03.log $BRIDGE_MSUB_PWD/tgspw_03.054-02.log
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