#SBATCH -J Zn-ZnO-rapid

#SBATCH --ntasks=4

#SBATCH --mail-type=FAIL
#SBATCH --mail-type=BEGIN
#SBATCH --mail-type=END
#SBATCH --time=02:00:00

#SBATCH --export=ALL  

module load lammps/23Oct2017

mpirun lmp_forge < in.heating