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Community GPU codes: Life Sciences and Genomics

Fit to programme

This task has been identified by the working groups as part of the agenda behind WP 1.1.

The task number is 004.

Description

AMBER, GROMACS, LAMMPS and NAMD are all-time classic in HPC benchmarking and workhorses on UK supercomputers. The goals of this task are

  • demonstrate the performance improvements of the selected codes on GPUs compared, for example, to those seen on CPU systems;
  • measure the impact on performance related to the availability of various GPU features.
  • provide a rapid demonstration of SHAREing’s presence and capabilities to the RTP community, many of whom will be supporting these codes on their local clusters.

Outcomes

  • Technical report / white paper on the findings.
  • Upload on the SHAREing webpage.
  • Publication of findings at conference such as CIUK to both promote the lessons learned but also SHAREing.

This project has now finished. The outcomes can be found in a report on the SHAREing webpage.