Hi, Please sue the user's mailing list for questions not related to GROMACS development.
By default. the "-gpu_id" option takes a sequence of digits corresponding to the numeric identifiers of GPUs. In cases where there are >10 GPUs in a system, a comma-separated string should be used, see http://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html#running-mdrun-within-a-single-node Cheers, -- Szilárd On Tue, Mar 10, 2020 at 5:51 PM dxli75 <dxl...@126.com> wrote: > everyone, > When I set the gpu_id as 10-15, the GMX always give the message of > PP:1,PME:1. > And the job run on GPU No.1 instead of No.10-15. > Is there a bug? > > GROMACS: gmx mdrun, version 2020.1 > > Executable: > /raid/data/dxli/projects/ncovs-1rpb/../../gromacs-2020.1/bin/gmx > Data prefix: /raid/data/dxli/projects/ncovs-1rpb/../../gromacs-2020.1 > Working dir: /raid/data/dxli/projects/ncovs-1rpb > Command line: > gmx mdrun -deffnm test -gpu_id 10 -ntmpi 1 -ntomp 8 > > Reading file test.tpr, VERSION 2020 (single precision) > 1 GPU selected for this run. > Mapping of GPU IDs to the 2 GPU tasks in the 1 rank on this node: > PP:1,PME:1 > PP tasks will do (non-perturbed) short-ranged interactions on the GPU > PP task will update and constrain coordinates on the CPUPME tasks will do > all aspects on the GPU > Using 1 MPI thread > > Non-default thread affinity set, disabling internal thread affinity > > Using 8 OpenMP threads > > > > > > > -- > *Daixi Li * > *Ph.D., Associated Professor**P.I.*, Laboratory of Computational Biology > > > > -- > Gromacs Developers mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_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-developers > or send a mail to gmx-developers-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.
