[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

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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