March 31, 2022
Europe/London timezone

This lesson provides an overview of some more advanced techniques and uses of LAMMPS. Specifically, we will be discussing:

  • Measuring and improving LAMMPS performance
    • Strong vs weak scaling for a range of systems
    • Smarter domain decomposition
    • Accelerators and what they do
  • Using LAMMPS with Python
  • Analysing systems through reruns
  • Advanced sampling methods with a focus on replica exchange

For this lesson, we expect attendees to be familiar with LAMMPS. We will not be covering how to prepare and run a parallel LAMMPS simulation (and we will assume that all attendees know how to do this already). This lesson is aimed at anyone who:

  • has experience using bash (or any other shell)
  • has experience running LAMMPS on multiple processors
  • would like to learn more about some of the LAMMPS functionalities stated above
  • would like to learn more about tricks and methods for getting LAMMPS to perform efficiently.

This course is part-funded by the PRACE project and is free to all. Please register using the online form. If you have any questions, please consult the course forum page or contact