Skip to content

choderalab/fah-tools

Repository files navigation

fah-tools

Tools for analyzing Folding@home logfiles

Manifest

  • extract-logs.py - script to pickle logfiles and perform various QC checks
  • extract-logs-multiprocessing.py - multiprocessing version of pickling of logfiles
  • analyze-logfiles.py - analyze pickled logfiles for statistics
  • quality_control.py - quality control checks of SiegeTank data
  • optimizepme.py - PME optimization script from Peter Eastman
  • openMM_testscript.py - check energies across platforms
  • benchmark.py - draft benchmarking script
  • set-pme-parameters-in-system.py - script to add explicit PME parameters to system.xml files lacking them

Usage

Set paths in extract-logs.py, extract-logs-multiprocessing.py, analyze-logfiles.py

python extract-logs-multiprocessing.py
python analyze-logfiles.py

Benchmark Procedure (Updated 9/29/15)

  • Login to [email protected]
  • cd fah-7.4.9-centos
  • rm -rf logs/ cores/ work/
  • Edit config.xml to have your project key
  • run ./FAHClient for a few percent of the work unit
  • run python ./fah-tools/benchmark.py
  • Take points from GTX 780

About

Tools for analyzing Folding@home logfiles

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Contributors 4

  •  
  •  
  •  
  •  

Languages