#PBS -q standard
#PBS -l ncpus=1
#PBS -l walltime=0:15:00
#PBS -j oe
#PBS -o test.out
#PBS -N batch_cpaimd

cd ${PBS_O_WORKDIR}

./tidy water
mpirun -np 1 ../cpaimd.x cpaimd_config.1 water.input > result.12348