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#!/bin/bash
#SBATCH -N 1
#SBATCH --exclusive
#SBATCH --ntasks-per-node=128
#SBATCH -t 30:00
module reset
# Note: please select one of the installed LAMMPS modules that is suitable for your simulation.
module load chem/LAMMPS/3Mar2020-foss-2020a-Python-3.8.2-kokkos
export OMP_NUM_THREADS=1
export OPENBLAS_NUM_THREADS=1
srun lmp -in rhodo.inp
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