I am interested in any advice on choosing an appropriate cluster on which to run Rosetta 3.4. Most likely, I'll be using it for relaxation and high-resolution, all-atom refinement. I am just wondering about the parallel granularity -- the ratio of communication to computation (e.g. coarse vs fine grained). Is it better to go with more of a throughput cluster or a more tightly coupled, low latency cluster?
Here are my main options (pertaining to the SHARCNET systems):
Kraken: "Throughput clusters, an amalgamation of older point-of-presence and throughput clusters, suitable for serial applications, and small-scale low latency demanding parallel MPI applications."
Orca: "Low latency parallel applications."
Requin: "Large, tightly-coupled MPI jobs."
Saw: "Parallel applications."
More info is here: https://www.sharcnet.ca/my/systems/clustermap
Any advice would be much appreciated. So far, I have been using the kraken throughput cluster, but I'd like some confirmation that that's a suitable choice.