Hi, On Fri, 28 Jul 2017 10:37 leila karami <karami.lei...@gmail.com> wrote:
> Dear gromacs users, > > I am running CG MD simulation on a Rocks cluster using the following > command: > > gmx_mpi mdrun -nb gpu -v -deffnm gpu_md -ntomp 16 -gpu_id 0>& md.job & > > I tried the different value for the -ntomp option. With -ntomp 16 run > will finish sooner than the other values for -ntomp. > > In this state, volatile gpu-util is 47%. How to increase this parameter? > Much more relevant is what gromacs reports in the end of the log file. Sharing a whole log file via a file sharing service is a useful way to get some tips. Mark nvidia-smi command: > > > |*-------------------------------+----------------------+----------------------+ > *|* GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. > *ECC | > |* Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute > *M. | > > |*===============================+======================+======================| > *|* 2 TITAN X (Pascal) On | 0000:C1:00.0 Off | > * N/A | > |* 43% 71C P2 130W / 250W | 183MiB / 12189MiB | 47% E. > *Process | > > +-------------------------------+----------------------+----------------------+ > > Any help will be highly appreciated. > -- > 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. > -- 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.