You are here

running Rosetta with MPI

2 posts / 0 new
Last post
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
Post Situation: 
Sat, 2020-09-05 16:06

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.

Tue, 2021-02-09 13:44