MacroModel Reference Manual - ISP

MacroModel Reference ManualAppendix BAppendix B: MacroModel Benchmark SuitesA benchmark suite is now included in the MacroModel distribution for use in comparing therelative speed of different releases or of the same release on different platforms. The benchmarksuite contains a number of individual tests which collectively exercise MacroModelcalculations involving minimizations and conformational searches on small and protein-sizedmolecules.To run the benchmark copy the directory:$SCHRODINGER/macromodel-vversion/test/benchmarksto a suitable location. In the new benchmarks directory type:./do > run_log &At the end of the calculation a file called Summary.machine_name is written that contains thetimes for the various tests performed. There is also a README file in the benchmark directorythat provides a brief description of the various benchmarks.Note: Schrödinger, LLC will not provide benchmark results. If you write a request for suchresults to the independently administered MacroModel mailing list atmmodlist@chem.iupui.edu another MacroModel customer might be able to helpyou.MacroModel 9.7 Reference Manual 179