hey thanks Sander for bringing my attention to -nt option.. ;) -- sikandar
On Thu, Oct 14, 2010 at 6:08 AM, Sander Pronk <pr...@cbr.su.se> wrote: > > On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote: > > > Recently I installed gromacs4.5.1 without mpi support on my workstation > with 8 cores using cmake and make -j 8, make install commands ( as suggested > on installation instructions). > > > > Now when I do mdrun it automatically utilizes all the cores and runs much > faster than earlier version (4.0.7) , which was not using all cores. > > > > I am also surprised , how can mdrun runs on 8 cores without explicitly > specifying no. of cores? Its good that mdrun is using all cores, but there > may be situations when I dont want mdrun to use all cores. Can I anyone > suggest how to control that? > > > use the '-nt' option of mdrun to specify the number of threads. > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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