Name: Advanced use of LAMMPS
Start: 2024-01-17T09:30:00+00:00
End: 2024-01-17T16:30:00+00:00
Location: No location set

Description

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.
Running LAMMPS from 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.
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.

More info/ register: https://www.archer2.ac.uk/training/courses/240117-advanced-lammps/