[phenixbb] meaning of nproc in mr_rosetta
Thomas C. Terwilliger
terwilliger at lanl.gov
Tue Jun 7 05:42:46 PDT 2011
Yes, in your case it should run the first 5 models of each hhr file...a
total of 10 search models. Let me know if a more recent phenix fixes the
nproc problem (in your case if you divide nproc by 10 it should do what
Let me know of other problems!
All the best,
>> Le 07/06/11 14:09, Thomas C. Terwilliger a écrit :
>>> Hi Miguel,
>>> Normally nproc is how many processors are to be used at any one time by
>>> There was a problem in versions up to dev-767 where nproc was not
>>> by the number of search models you supply, so each search model got
>>> processors devoted to it... That should be fixed, so if you are using a
>>> more recent version than that and you get more processors in use than
>>> requested, please let me know.
>>> All the best,
>>> Tom T
>> Hi Tom,
>> Thank you for your quick answer. We are using dev-764, you go too fast!
>> I didn't supply any models directly, just two hhr files, so I guess the
>> first five models from each hhr file are used? Add to this that the
>> space group has an enantiomorph (and it seems to me that both are tested
>> even if use_all_plausible_sg is set to False) and that I requested
>> prerefining. For the time being is not sending more than ~ 170 jobs at a
>> time, which should be fine.
>> I will let you know if newer versions behave differently.
>> Best regards,
>> Architecture et Fonction des Macromolécules Biologiques (UMR6098)
>> CNRS, Universités d'Aix-Marseille I & II
>> Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
>> Tel: +33(0) 491 82 55 93
>> Fax: +33(0) 491 26 67 20
>> mailto:miguel.ortiz-lombardia at afmb.univ-mrs.fr
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