[phenixbb] GPU acceleration of phenix.real_space_refine?

[Oliver Clarke]

Hi all,

phenix.real_space_refine takes a very long time to run on large systems
when using any of the more computationally expensive options (e.g.
morphing).

I was wondering if there has been any consideration towards optimizing this
code (and maybe that of phenix.map_to_model) for GPU acceleration? There is
somewhat of a shift occuring in the EM community towards using GPU
workstations for data processing - if we could use already purchased
capabilities to accelerate model refinement as well that would be a huge
bonus.

I saw a discussion on the bb from a while back concerning the same question
applied to phenix.refine, and the conclusion was that in that case the
benefits would be minimal, but I'm not sure whether the same applies to
real space operations.

Cheers,
Oli.

PS has there been any consideration of including an option to allow users
to supply two half maps at run time, one "work" and one "test" map for
cross validation purposes? It is possible to do this with two separate runs
right now but having the option integrated would be wonderful.
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