Example SLURM-Parallel-Job-Scripts

HiPerGator 2.0 documentation

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 --mem-per-cpu=4000
#SBATCH --account=YOUR-GRUOP-NAME
#SBATCH --qos=YOUR-GROUP-NAME
#
module load intel/2016.0.109 openmpi/1.10.2  lammps/7Dec15

LAMMPS=lmp_ufhpc.openmpi
INPUT=test-input

mpiexec $LAMMPS  < $INPUT