glotzerlab/hoomd-benchmarks

Add additional benchmarks

joaander opened this issue · 2 comments

Description

Add more benchmarks to the repository.

Motivation and context

We need benchmarks to make performance comparisons between HOOMD releases going forward and to evaluate performance on different hardware configurations.

Some scripts to add:

  • One for each MD pair potential - to evaluate relative performance costs between the potentials.
  • An empty Simulation - test the maximum speed of a simulation run loop.
  • An empty custom updater - test the overhead of a custom updater call.
  • get and set snapshot - evaluate the cost of these methods.
  • Polymer simulations with bonds, angles, and dihedrals.
  • DPD simulations.
  • A range of HPMC shapes.

Some HPMC shapes require a specific number of dimensions. With the addition of HPMC shapes, the dimensions argument can no longer be a common parameter to the benchmark suite. Each benchmark that supports it can add it.

This issue has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

The basic benchmarks are implemented. Others will be added as needed.