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#!/bin/bash
#MSUB -r paral-gspw_02 # 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_02.o # Standard output
#MSUB -e paral-gspw_02.e # Error output
set -x
ABINIT=/ccc/work/cont005/pa0397/bottinf/6.10.1-public/curie/src/98_main/abinit
TMPDIR=$SCRATCHDIR/paral-gspw_02
mkdir $TMPDIR
cd $TMPDIR
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 108 npfft 1" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.108-01.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.108-01.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 54 npfft 2" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.054-02.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.054-02.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 36 npfft 3" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.036-03.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.036-03.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 27 npfft 4" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.027-04.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.027-04.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 18 npfft 6" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.018-06.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.018-06.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 12 npfft 9" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.012-09.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.012-09.log
rm -rf *log *.out *.in *.files
cp $BRIDGE_MSUB_PWD/tgspw_02.in $TMPDIR/
cp $BRIDGE_MSUB_PWD/tgspw_02.files $TMPDIR/
cp $BRIDGE_MSUB_PWD/79au.pspnc $TMPDIR/
echo "npband 9 npfft 12" >> $TMPDIR/tgspw_02.in
ccc_mprun $ABINIT < tgspw_02.files > tgspw_02.log
cp $TMPDIR/tgspw_02.out $BRIDGE_MSUB_PWD/tgspw_02.009-12.out
cp $TMPDIR/tgspw_02.log $BRIDGE_MSUB_PWD/tgspw_02.009-12.log
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