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