#!/bin/bash --login
  
# Replace "[your-project]" with the appropriate project code
# Maximum wall-clock time limit 24 hours (--time=24:00:00)
#SBATCH --job-name=lammps
#SBATCH --nodes=1
#SBATCH --exclusive
#SBATCH --account=[your-project]
#SBATCH --time=24:00:00
#SBATCH --cpus-per-task=1


# Load the lammps module so we can find the "lmp_mpi"
# executable
  
module load lammps/20210929.3
  
# Launch with srun (essential) using 128 MPI tasks ("-n 128")
  
srun --export=all -N 1 -n 128 -c 1 lmp -in lammps.inp -log lammps.log

Checkpoint or restart is an important aspect in running codes on HPC resources due to wall time constraints and LAMMPS has capabilities for restart simulations.