Benchmark (Module)

Perform benchmarking on a variety of functions

Overview

The Benchmark module records timing information through running selected functions on a given configuration.

Options

Targets

Keyword Arguments Default Description
Configuration Configuration

Required

Specifies the configuration on which to operate.

Control

Keyword Arguments Default Description
N int 5 Number of times to run each benchmark in order to form average
Save bool true Whether to save new timings to the restart file

Tests

Keyword Arguments Default Description
TestIntraEnergy bool true Whether to benchmark intramolecular energy calculation
TestInterEnergy bool true Whether to benchmark interatomic energy calculation
TestGenerator bool true Whether to benchmark configuration generator
TestRDFCells bool true Whether to benchmark the RDF cells method (to half-cell range)
TestRDFSimple bool false Whether to benchmark the RDF simple method (to half-cell range)
TestDistributors bool true Whether to benchmark molecule distributors
Last modified November 20, 2024: Updating Developer Docs (#1545) (19274c2)