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Running time of Rosetta/FlexPepDock

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Running time of Rosetta/FlexPepDock

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?


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Thu, 2015-10-15 02:14


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. 


Thu, 2015-10-15 06:40

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


Fri, 2015-10-16 03:01