Running time of Rosetta/FlexPepDock

Member Site › Forums › Rosetta 3 › Rosetta 3 – General › Running time of Rosetta/FlexPepDock

Viewing 1 reply thread
  • Author
    Posts
    • October 15, 2015 at 9:14 am #2308
      Anonymous

        Hello everyone, and thanks for reading this!

        My question is about the running time of a docking. I need to dock several same length peptides to a small protein. I have a around 55 nodes for this job. My question is should i put 1 job for each node, or should i do the jobs one by one and assig each job to the 55 cores with MPI?

        Thanks!

      • October 15, 2015 at 1:40 pm #11267
        Anonymous

          Hi,

          Running time will depend on your cluster. You can check it by running a single run. Are you planning to do refinement or ab-initio?

          I will adivce you to run them one by one. 

          best!

        • October 16, 2015 at 10:01 am #11268
          Anonymous

            I am planning to do a refinement, i am testing it now, but yes, it seems one core / docking is more efficient!

            Thanks!

        • Author
          Posts
        Viewing 1 reply thread
        • You must be logged in to reply to this topic.