Jobscript

#!/bin/bash
#SBATCH --job-name=<JOBNAME>
#SBATCH --mail-user=<EMAIL>
#SBATCH --mail-type=FAIL,END
#SBATCH --output <my_job-%j.out>
#SBATCH --error <my_job-%j.err>
#SBATCH --nodes=4
#SBATCH --ntasks=4
#SBATCH --cpus-per-task=1
#SBATCH --ntasks-per-socket=4
#SBATCH --ntasks-per-node=4
#SBATCH --mem-per-cpu=2gb
#SBATCH --time=01:00:00
#SBATCH --account=<GROUP>
#SBATCH --array=<BEGIN-END>

module load gcc/12.2.0 lammps/02Aug23

LAMMPS=lmp_mpi
INPUT=<input_file>
srun --mpi=pmix_v3 $LAMMPS < $INPUT > log.out 2>&1

Disclaimer: The above slurm configuration is for demonstrative purposes only. The users must tailor it to their specific needs and the available resources.