Example job script for ABINIT on Warhol
#!/bin/csh
#PBS -l nodes=1:ppn=4
#PBS -l walltime=30:00
#PBS -N abinit.out
#PBS -j oe
#PBS -q debug
set echo
source /usr/share/Modules/init/csh
module load ifort
# define abinit executable dir
set ABINIT_DIR = /usr/local/packages/abinit-5.8.4/src/98_main
# Create scratch abinit directory if none exists
set ABINIT_SCRATCH = $SCRATCH/ABINIT_$PBS_JOBID
if ( ! -d $ABINIT_SCRATCH ) then
mkdir $ABINIT_SCRATCH
endif
# Move to scratch directory and copy over input files.
#cd $ABINIT_SCRATCH
cd ~/abinit
#cp ~/abinit/test1.files .
#cp ~/abinit/test1.in .
#cp ~/abinit/01h.pspgth .
mpirun -np 4 $ABINIT_DIR/abinip < test1.files > $HOME/abinit/log.4
#cp -rf test1.out $HOME/abinit/out.demo.4
cd $HOME/abinit
#rm -rf $ABINIT_SCRATCH
