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 |