LAMMPS is a software package for performing classical molecular dynamics simulations. This guide explains how to install and run optimized versions of the software on the Research Computing clusters. For users looking to modify the source code we provide an overview of the code and we show how to use a profiler and parallel debugger.
This guide was written by Princeton Research Computing with contributions from Thomas E. Gartner III (formerly of the Chemistry Department) and Daniel Kozuch (formerly of the Chemical and Biological Engineering Department). If you have an improvement to any of the contents then please submit a pull request or write to [email protected].
If you encounter any difficulties with LAMMPS on the Research Computing clusters then please send an email to [email protected] or attend a help session.