Member Site Forums Rosetta++ Rosetta++ – General MPI Rosetta Reply To: MPI Rosetta


    I’m not familiar with mpi, but here is the suggestions from previous user discussion:

    There is MPI support in Rosetta, though this has not been tested with Condor. MPI is included for PBS-style supercomputers which allocate a large number of nodes at once. For a Condor cluster, MPI is not needed to run Rosetta in parallel – due to the “embarrassingly parallel” nature of the jobs, there would be no advantage. Instead, simply submit all the jobs as single independent jobs on Condor. Rosetta determines the names of expected output files, and each job computes data to fill in files that have not yet been created.

    By default, Rosetta takes a random number from the clock and optionally applies an offset specified on the command-line. If you group your jobs into a single condor script with “Queue 20”, for example, you can add:

    -seed_offset $(Process)

    to the Rosetta command-line to make the random numbers depend on the cpu number within the job (in this case, 1-20).

    If you want even more control, you can use:

    -constant_seed -jran

    on the Rosetta command line to specific the seed for each job.

    I think you used constant_seed in your command lines and it causes the identical outputs