On Mon, Oct 31, 2011 at 9:28 AM, Sanku M <msank...@yahoo.com> wrote: > Hi, > I just compiled gromacs 4.5.4 in a cluster. But, I find that if I try to > make use of threading introduced in gromacs 4.5.x series, it does not work. > After issuing command like mdrun -v -s , I expected that for my 8-core > processor which is not running any other jobs, the threading will show one > job with 800 % cpu usage. But, it is showing 100 % cpu usage hence using > only 1 of the 8 processors. I was wondering whether there is any command
mdrun -t number_of_processors > line I need to use to ensure the gromacs understands that there is 8 > processors in a core and force make full use of the entire machine. > I have tried the same thing in another different cluster where I found that > threading works with showing 800 % cpu usage . But, for this cluster , the > threading does not work. and make sure during your compile process, enable --threads > Any help will be appreciated. > Sanku > -- > 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 > -- 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
