[phenixbb] PHENIX parallel computing?

[Nathaniel Echols]

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
510-486-5136
NEchols at lbl.gov