[phenixbb] weight optimization in refinement
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
On 11/22/19 11:33, Alexei Gorelik wrote:
> 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
> 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
> Is there particular need to do this in your context?
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