Tools for analyzing Folding@home logfiles

• 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

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

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

• Login to choderalab@csk.mskcc.org
• 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