#PBS -N test
#PBS -q dque
#PBS -l nodes=1:ppn=1
#PBS -l mem=2gb
#PBS -l walltime=24:00:00

setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
setenv NPROCS `cat $PBS_NODEFILE | wc -l`

cd $PBS_O_WORKDIR
$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS ./unres_casp3.csh