Certain LAMMPS pair-styles are GPU enabled. The Jan 15 2010 version includes:

• gayberne pair style
• Lennard-Jones cut style

Users should refer to the LAMMPS pages, including the section on running on GPUs.

Current documentation describes the speedup with each pair style.

Developers interested in contributing GPU code to this program should contact Paul Crozier, as there is an ongoing collaborative project.