LAMMPS

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics code. LAMMPS can model an ensemble of particles in a liquid, solid, or gaseous state. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions.

If you use LAMMPS results in your published work, please cite:

S. J. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comp. Phys. 117, 1-19 (1995)

and include the URL of the LAMMPS website at http://lammps.sandia.gov.

Usage

To see what versions of LAMMPS are available, the default version if there is more than one, and some help,  type

module spider lammps

To use LAMMPS, include a command like this in your batch script or interactive session to load the LAMMPS module. Note that the module load command is case sensitive:

module load LAMMPS

Be sure you also load any other modules needed, as listed by the module help LAMMPS command.