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 April 23, 2024: Update release notes. (70ff745)