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running Rosetta with MPI

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running Rosetta with MPI


I am planning to do four different docking (with 200  structures for one of the partner to capture backbone flexibility) with at least nstruct=500. I need to run it by usening several nodes and processors in our cluster.  I tried to compile MPI  in our cluster, but I got an error attached to this post. Could you please guide me how I can solve the error?



mpi.png296.09 KB
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Sat, 2020-09-05 16:06