MD

Online LAMMPS training for ARCHER

Author: Julien Sindt
Posted: 31 Oct 2019 | 15:56

In October I ran an online training course teaching current and potential ARCHER users how to run LAMMPS. LAMMPS is a widely-used open-source molecular dynamics (MD) software developed at the National Sandia Laboratories, and is optimised to run well on HPC facilities. It consistently ranks in the top 10 most used programs on ARCHER. Although the course was run on ARCHER and with ARCHER users in mind, I tried to teach users how to use LAMMPS on any platform.

Improving the performance of TINKER, a molecular dynamics codebase

Author: Guest blogger
Posted: 4 Nov 2014 | 10:52

Justs Zarins reports on his work to improve the performance of TINKER, a molecular dynamics codebase. This 3-month dissertation project was undertaken as part of his MSc in High Performance Computing at EPCC. Justs has now joined EPCC as a post-graduate researcher.

Blog Archive