Example SLURM-Parallel-Job-Scripts

Sample MPI Job Script with SLURM

LAMMPS (MPI only)

#!/bin/bash
#SBATCH --job-name=LAMMPS-JOB
#SBATCH --output=LAMMPS.out
#SBATCH --error=LAMMPS.err
#SBATCH --mail-type=ALL
#SBATCH --mail-user=YOUR-EMAIL-ADDRESS
#SBATCH --time=01:00:00
#SBATCH --ntasks=12
#SBATCH --nodes=1
#SBATCH --mem-per-cpu=4000
#SBATCH --account=ufhpc
#SBATCH --qos=ufhpc
#
module load intel/2016.0.109
module load openmpi/1.10.2  
module load lammps/7Dec15

LAMMPS=lmp_ufhpc.openmpi
mpiexec $LAMMPS  < $INPUT