Member Site Forums Rosetta 3 Rosetta 3 – General Remote access to Rosetta on Blue Gene or another HPC system? Reply To: Remote access to Rosetta on Blue Gene or another HPC system?


    If you want a systemwide installation, you’ll have to talk to the sysadmins. As a community, the Rosetta developers do not go about getting Rosetta installed on others’ supercomputer clusters. (That said, if a developer has ever used your supercomputer, then we’ve figured out how to install it).

    Assuming your cluster lets you compile your own code, then installing rosetta on the cluster is no different from installing it on a desktop. (Er, actually, it’s probably easier, since you’re more likely to have libraries, etc, already; also there’s little reason to be using Rosetta on a desktop). I have done this on multiple clusters with minimal difficulty. You often need to do a few cluster-specific steps (like adding the MPI compiler to your path, etc) but I can’t predict those ahead of time.

    Does your resource not allow you to put your own code on? If not, I would guess your best bet is to badger the sysadmins to install it.

    A special note about BlueGenes: A) older bluegene compilers cannot compile Rosetta because they do not completely implement the C++ standard, particularly the functors that underlie the owning pointers we use. B) Rosetta’s memory footprint is outgrowing the memory available on bluegenes; I can help strip it down if that is an issue but stock Rosetta may be problematic. Design is out of the question.