#!/bin/bash
#SBATCH --account=def-jerzy
#SBATCH -t 06:00:00
#SBATCH -N 1  
#SBATCH –-task-per-node=32
#SPBS --mem-per-cpu=4000

(if needed GPU support: module load cuda)
       
module load lammps-omp/20170811
srun -n 32  lmp_icc_openmpi  <filename.in > filename.out


or for small nodes use:

#!/bin/bash
#SBATCH --account=def-jerzy
#SBATCH -t 06:00:00
#SBATCH -n 2  
#SBATCH –task-per-node=24

module load lammps-omp/20170811
srun -n 48  lmp_icc_openmpi  <filename.in > filename.out


