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.

Reply via email to