Updated 2021-02-10

Lammps pbs

#PBS -N lammpsTest
#PBS -A [Account]
#PBS -l nodes=2:ppn=4
#PBS -l walltime=10:00
#PBS -l pmem=2gb
#PBS -q inferno
#PBS -j oe
#PBS -o lammpsResult.out

cd $PBS_O_WORKDIR
module load lammps/22Aug18
mpirun -np 8 lmp < filename.in