Hi Yikan--
Gabriel is correct that a-priori job time prediction is not a simple question, depending on the hardware and job characteristics. After the fact, this time is reported at the bottom of the log file. best regards-- Charles > > It depends on the molecule's size and on how many processors/cores, of > course. > > Not sure if an estimate in advance of the run is available, best to > ask Charles :) > > > On 11/13/18 12:49 AM, ZhangYikan wrote: > > Absolutely yes, at the end end of the log file, the CPU time is reported. > > And what I want to know is that how can we estimate the CPU time before I > > run this script. For example, can we estimate the how much time this > > script( xplor-nih-2.48/eginput/rna/fold.py) cost? how about estimate the > > runtime by some MD parameters of this script? > > Thank you! > > > >> 在 2018年11月12日，下午8:13，ZhangYikan <[email protected]> 写道： > >> > >> hi all, > >> When I want to run Xplor-NIH to refine a structure or to do some docking, > >> I do not know how to estimate the time spent of the scripts. > >> Did someone know how to calculate the runtime of the Xplor-NIH scripts? > >> > >> Thank you! > >> Yikan > >> _______________________________________________ > >> Xplor-nih mailing list > >> [email protected] > >> https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih > > > > _______________________________________________ > > Xplor-nih mailing list > > [email protected] > > https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih > > _______________________________________________ > Xplor-nih mailing list > [email protected] > https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
