[gmx-users] [gmx-developers] The setup of gpu_id has a bug?

[Szilárd Páll]

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 <dxli75 at 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
>
>
>
> --
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