[phenixbb] Phenix-Rosetta integration tests fail with Rosetta MPI on RHEL 6.3

Nathaniel Echols nechols at lbl.gov
Fri Sep 12 12:15:38 PDT 2014

On Thu, Sep 11, 2014 at 9:43 PM, Sina Masoud-Ansari <s.ansari at auckland.ac.nz
> wrote:

> Finally I've noticed that rosetta_refine and mr_rosetta have slightly
> different options with regards to queue submission in the documentation.
> http://www.phenix-online.org/documentation/reference/rosetta_refine.html
> http://www.phenix-online.org/documentation/reference/mr_rosetta.html
> For example, rosetta_refine allows the option 'technology = slurm' but
> this is not listed as an option for mr_rosetta.
> Are they indeed different?

The design and implementation of these programs is about as different as
possible, because the refinement requires tighter integration between
Phenix and Rosetta.  phenix.rosetta_refine is using a generic API for
distributing similar jobs across a number of supported clusters, which
makes it much easier for us to add support for queuing systems in the
individual programs in Phenix, and easier for users to invoke this support,
but also requires specific code to handle the different software.  So it is
slightly less flexible than what MR-Rosetta (or AutoBuild, or LigandFit) is
doing internally.

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