#!/bin/bash
####This submission script requests the use of all nodes
####in the intel rack, using 4 cpus per node.
####Use --network=IB to run on the infiniband fabric
####Use --network=HPCE to run on the original gigabit fabric

#SBATCH -J LAMMPS_1core
#SBATCH -o job_output/LAMMPS_1core.o%j
#SBATCH -e job_output/LAMMPS_1core.e%j
#SBATCH --share
#SBATCH -n 1
#SBATCH -t 12:00:00
#SBATCH --partition=amd_rack

source /etc/profile.d/modules.sh
module purge
module load compilers/intel/2013sp1_cluster_xe

srun /home/oulrich/msl/bin/lmp_msl-mkl < $1 > $2