#!/bin/bash
#SBATCH -J LAMMPS-21Jul20-case
#SBATCH --ntasks-per-node=15
#SBATCH --nodes=2
#SBATCH --time=10:00

module load gcc/9.2.0 mvapich2/2.3.4 lammps/20200721

echo "Running lammps with" $SLURM_NPROCS "MPI tasks"

srun lmp < calc_fcc.in