Member Site Forums Rosetta 3 Rosetta 3 – General How to run Rosetta3 in parallel Reply To: How to run Rosetta3 in parallel


    ‘scons bin mode=release’ compiles a single processor executeable. The easiest way to get it to run on two processors is to just start two jobs in separate folders – meaning, instead of running one job with nstruct 5000 in one folder, run two jobs with nstruct 2500 in separate folders. (Be sure to use different random number seeds!).

    Rosetta3 does not support multithreading, which is what you would need to get two processors being used by one single parent call to Rosetta3.

    Rosetta3 does support MPI. If you have MPI installed on your mac (no I don’t know how to do that), adding extras=mpi to the scons command line (scons bin mode=release extras=mpi) will turn on MPI. This will let you run multiple jobs on one machine that communicate with each other via MPI. If you’re talking about two processors this definitely is not worth your trouble.