#!/bin/bash
#PBS -N rosettagputest
#PBS -o output.log
#PBS -e err.log
#PBS -q workq
#PBS -l nodes=1:ppn=8
#PBS -j oe

cd $PBS_O_WORKDIR
module load rosetta-mpi

# Program environments

ROSETTA_TOP=/apps/codes/rosetta.source.release-334/main/source/bin

# Program commands

mpirun -np 8 $ROSETTA_TOP/rosetta_scripts.mpi.linuxgccrelease @./flags