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
