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?
Best I can tell, there’s permissions issues with your Rosetta directory. To successfully compile, you need to be compiling with a user who has write permissions to all of the files and directories in the Rosetta checkout.
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