The LAMMPS application is available on the cluster. This was compiled on the Brazos cluster using the GNU 4.8.2 C compiler, MVAPICH2-2.0, and FFTW-3.3.4.

To use LAMMPS, load the lammps module:

module load gcc
module load mvapich2
module load fftw
module load lammps

See the MVAPICH2 and SLURM documentation for more information on running MPI applications on the cluster.

Tutorials and documentation for LAMMPS is available at the LAMMPS website .