LAMMPS Molecular Dynamics Simulator

Ready for users on athena

Replace X where X is the number of processors

#!/bin/bash
#PBS -q para -l select=1:ncpus=
X:athena=True:mpiprocs=X
cd /user/m747g263/problemdir
lmp_g++ -in GrapheneWater.in -log GrapheneWater.log -screen GrapheneWater.err