#! /bin/bash
cd $PBS_O_WORKDIR

"
mkdir ring
cp  SHTM_1D.ini-ring SHTM_1D.ini
../../code/SHTM_1D.x >OUT1D 2>ERR1D
mv 1D_*  ring
mv OUT1D ring
mv ERR1D ring
mv SHTM_1D.ini ring

mkdir atom    
cp  SHTM_1D.ini-atom SHTM_1D.ini
../../code/SHTM_1D.x >OUT1D 2>ERR1D
mv 1D_*  atom
mv OUT1D atom
mv ERR1D atom
mv SHTM_1D.ini atom
"

mkdir 3Dfixed
rm *.xsf    
cp SHTM_3D.ini-fixed SHTM_3D.ini
../code/SHTM_3D.x >OUT3D 2>ERR3D
mv SHTM_3D.ini 3Dfixed
mv *.xsf 3Dfixed
mv OUT3D 3Dfixed
mv ERR3D 3Dfixed

mkdir 3Drelaxed
rm *.xsf    
cp SHTM_3D.ini-relax SHTM_3D.ini
../code/SHTM_3D.x >OUT3D 2>ERR3D
mv SHTM_3D.ini 3Drelaxed
mv *.xsf 3Drelaxed
mv OUT3D 3Drelaxed
mv ERR3D 3Drelaxed
