abinitio – is there a way to limit number of CPU cores the program uses?

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    • May 9, 2011 at 11:37 pm #903
      Anonymous

        So the lab I’m working in has access to a 16 core server but we were told to use no more than 8 cores for any one application. So I was wondering if there is a way to limit the number of cores that abinitio uses while it runs its folding simulations? I looked through the help but didn’t see anything that looked like it was what I’m looking for. Thanks for the help.

      • May 10, 2011 at 3:15 am #5555
        Anonymous

          If have not compiled in MPI mode, Rosetta will use one processor per instance of Rosetta you start.

          If you compiled with MPI, Rosetta will attempt to use however many processors you told MPI to use; I believe the standard mpirun application flag is -np, but I’m not sure.

          Rosetta is not internally multithreaded (well, ab initio isn’t) and will never use more than one processor at a time; the MPI communication layer manages separate independent threads rather than using multiple processors for one job.

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