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

dxli75 dxli75 at 126.com
Tue Mar 10 17:49:40 CET 2020

       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 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20200310/cc28d7be/attachment.html>

More information about the gromacs.org_gmx-developers mailing list