[phenixbb] weight optimization in refinement

Pavel Afonine pafonine at lbl.gov
Fri Nov 22 11:54:37 PST 2019


I'm pretty sure if you specify 8 cores to use, it will use no more than 
8 cores.

On 11/22/19 11:33, Alexei Gorelik wrote:
>
> Thanks!
> What I meant is, phenix.refine seems to run a number of optimization 
> threads (usually 10-14) independent of the number of cores specified 
> (for example, 4 or 8). If i specify 8 cores, is there a way to force 
> it to run 8 weight optimizations?
>
> On Nov 22, 2019 1:24 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
>
>     Hi Alexei,
>
>         Is there a setting to control the number of parallel weight
>         optimization threads in phenix.refine?
>
>
>     nproc parameter controls number of CPUs to be used in weight
>     optimization.
>
>         Also, is there a way to force phenix.refine to perform global
>         real-space refinement (rsrg)?
>
>
>     No. There is some built-in logic, phenix.refine does it when these
>     conditions are met and it can un-do the result if it is not an
>     improvement.
>
>     Is there particular need to do this in your context?
>
>     Pavel
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20191122/395af0c0/attachment.htm>


More information about the phenixbb mailing list