I really want to run LAMMPS on the one of the HPC servers, but I don’t know how to do that. I attended a workshop last week, and I heard from the lecturer that running LAMMPS on the server is doable.
Would you be so kind to tell me how to do it?
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 HPC 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.
The guide is available here.