[phenixbb] PHENIX parallel computing?

Nathaniel Echols NEchols at lbl.gov
Sat Oct 3 10:27:05 PDT 2009

On Oct 3, 2009, at 9:39 AM, Joe Krahn wrote:
> A parallel version of PHENIX was discussed before. I know that
> parallelization of refinement is difficult, and probably not worth the
> effort when there is still a lot of function/methods work. However,
> running parallel independent tasks could pay off without a lot of  
> work.
> For example, optimization of WXU and WXC can spawn multiple tasks with
> different test weights. Annealing tasks could also run multiple jobs,
> and pick the best result, or even merge results based on real-space  
> fit
> analysis.

The AutoBuild wizard already does the last bit - it will use as many  
processors as you want, you can turn on simulated annealing, and you  
can pass it parameter files for phenix.refine.

Nathaniel Echols
Lawrence Berkeley Lab
NEchols at lbl.gov

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