[phenixbb] Phenix 1.18 RSR runtime

Pavel Afonine pafonine at lbl.gov
Fri May 1 18:01:17 PDT 2020

Hi Hannah,

thanks for sharing files. I managed to bring it down to 4300 seconds 
running on my laptop using 1 CPU. It may take another few days before it 
is available in Phenix nightly builds.


On 4/30/20 00:02, Hannah Bridges wrote:
> Dear Phenix developers,
> We have updated to phenix version 1.18-3845-000 and found that 
> realspace refinement (5 cycles) with minimization global, local grid 
> search and ADP is taking about 36 hours, compared to ~ 1hr in versions 
> 1.17 and 1.16. The slow step is the local grid search which is taking 
> >6 hours each cycle.
> We are very glad for the option to run the job detached, but I 
> wondered if this sort of timing was expected for this version?
> Best wishes
> Hannah

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