No idea? It seems to be odd. At the beginning of run, I see NOTE: GROMACS was configured without NVML support hence it can not exploit application clocks of the detected Quadro M2000 GPU to improve performance. Recompile with the NVML library (compatible with the driver used) or set application clocks manually.
Is the behavior I see, related to this note? I doubt, but if someone has a comment, I appreciate that. Regards, Mahmood On Monday, July 9, 2018, 3:13:20 PM GMT+4:30, Mahmood Naderan <nt_mahm...@yahoo.com> wrote: Hi, When I run "-nt 16 -nb cpu", I see nearly 1600% cpu utilization. However, when I run "-nt 16 -nb gpu", I see about 600% cpu utilization. Is there any reason about that? I want to know with the cpu threads in a gpu run is controllable. Regards, Mahmood -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.