Command line tool: benchmark
| Module | cltools |
|---|---|
| Description | Input |
| run a calculation with a fixed trajectory to find bottlenecks in PLUMED | command line args |
Details
Text from manual goes here
Syntax
The following table describes the command line options that are available for this tool
| Keyword | Description |
|---|---|
| --help/-h | print this help |
| --plumed | colon separated path(s) to the input file(s) |
| --kernel | colon separated path(s) to kernel(s) |
| --natoms | the number of atoms to use for the simulation |
| --nsteps | number of steps of MD to perform (-1 means forever) |
| --maxtime | maximum number of seconds (-1 means forever) |
| --sleep | number of seconds of sleep, mimicking MD calculation |
| --atom-distribution | the kind of possible atomic displacement at each step |
| --dump-trajectory | dump the trajectory to this file |
| --domain-decomposition | simulate domain decomposition, implies --shuffle |
| --shuffled | reshuffle atoms |