The parameters of a simulation are specified with three files from a standard Folding@Home work unit (WU):

  • system.xml
  • integrator.xml
  • state.xml

as well as a FAHBench-specific file named wu.json. This file encodes the number of steps to perform and other meta-information.

Workunits are installed uncompressed to [prefix]/share/fahbench/workunits/[wuname]/{*.xml, *.json}. To install your own workunit, put the four required files there.

wu.json fields

  • codename should match the directory name of the installed workunit
  • can give a “full” name for a particular protein or workunit
  • protein.description can give a brief description of the system
  • step_chunk sets how many integration steps to do before refreshing the current performance estimate and % completed. A higher value will make the UI less responsive. Too low of a value may impact performance. Simpler systems should increase this value, while difficult systems may reduce it. Default: 10
  • Other fields are ignored.

Source tree

The workunits are stored compressed in the source tree. They will be extracted at build time via CMake “external project”. Developers can add WU’s hosted elsewhere via this mechanism.