Hi Carsten, I'm not much of an expert on phenix, but the latest newsletter states (on page 16) The weight optimization procedure is easy to parallelize since the refinements with different trial weights are independent. Starting with PHENIX version dev-‐810, the refinement.main.nproc parameter is available to specify the number of CPUs the weight optimization procedure may use in parallel. To give one example, the command phenix.refine 1av1.pdb 1av1.mtz \ optimize_xyz_weight=True \ optimize_adp_weight=True nproc=16 finishes in approximately 430 seconds on a 48core 2.2GHz AMD Opteron system. With nproc=1 the refinement requires more than 2000 seconds on the same machine. Hope that help. Andreas On 26/08/2011 1:00, Schubert, Carsten [JRDUS] wrote:
Hi,
I waswonderingif the optimization of the xyz and adp target weight could be parallelizedand take advantage of multi-cpu systems?On the project I am working on now, the refinement time increased ~5.4 fold whenwith active optimization of theseweights.
Are there any plans for that in the works?
Cheers,
Carsten
-- Andreas Förster, Research Associate Paul Freemont & Xiaodong Zhang Labs Department of Biochemistry, Imperial College London http://www.msf.bio.ic.ac.uk