#!/bin/bash

#SBATCH -J job_name                # name of the job

#SBATCH -p medium                  # name of the partition: shared,medium,large,gpu

#SBATCH -N 4                       # no of Nodes

#SBATCH -n 40                      # no of processes or tasks

#SBATCH --cpus-per-task=4          # no of threads per process or task

#SBATCH -t 01:00:00                # walltime in HH:MM:SS, Max value 72:00:00

#list of modules you want to use, for example

#module load apps/lammps/12.12.2018/intel

#name of the executable

exe=name_executable

export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK

#run the application

mpirun -bootstrap slurm -n $SLURM_NTASKS $exe    # specify the application command-line options, if any, after $exe