Rosetta parallel installation

Member Site Forums Rosetta 3 Rosetta 3 – Build/Install Rosetta parallel installation

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    • #754

        Hi all,
        have been using Rosetta for a while, but could not figure out exactly how to install parallel. I am very happy to see Rosetta3.2 latest version. I will be grateful to you if anyone suggest me how to install (best way)parallel and how to run applications in parallel.

        Thank you in advance

        Best regards,

      • #4890

          To build Rosetta in MPI, simply add extras=mpi to your command line for compiling. This produced the MPI-enabled “parallel” executables. Note that almost all of Rosetta is not parallel; the Job Distributor layer is parallelized to allow many independent trajectories under the MPI umbrella. This means you won’t get a performance boost from running 100 Rosetta jobs in regular mode versus a 100-processor MPI job.

          The executeables ought to have “mpi” in their name somewhere – if you can’t find them post what you have and I’ll figure it out.

          I don’t know how to get MPI installed on your cluster architecture, of course…

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