[phenixbb] Parallelization for optimization of wxu/wxc?
Francis E Reyes
Francis.Reyes at Colorado.EDU
Fri Aug 26 05:09:32 PDT 2011
Isn't it parallelized in the nightlies?
- phenix.refine:
- grid searches parallelized: use 'nproc' parameter to set number of CPUs
to use
- this affects bulk solvent mask optimization, and XYZ and ADP weight
optimization (in addition to TLS identification)
- can reduce runtime by 75% or more depending on settings (see manual for
details)
On Aug 26, 2011, at 6:00 AM, Schubert, Carsten [JRDUS] wrote:
> Hi,
>
> I was wondering if the optimization of the xyz and adp target weight could be parallelized and take advantage of multi-cpu systems? On the project I am working on now, the refinement time increased ~5.4 fold when with active optimization of these weights.
>
> Are there any plans for that in the works?
>
> Cheers,
>
> Carsten
>
>
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---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder
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