[gmx-users] Running on two nodes

[Mark Abraham]

Hi,

There's lots of this kind of information reported in the log file,
including the number of nodes that the MPI environment has made available
to mdrun.

Mark

On Sat, 10 Aug 2019 at 14:15, Searle Duay <searle.duay at uconn.edu> wrote:

> Hello!
>
> I am trying to run a simulation on two nodes. Each node has 2 GPUs and 20
> cores. I am not having problems with running it, but I am not sure if I am
> really using both nodes or just one node because I am getting the following
> warning:
>
> WARNING: On rank 0: oversubscribing the available 20 logical CPU cores per
> node with 40 threads.
>
> The command that I run was:
>
> mpirun -np 4 gmx_mpi mdrun -v -nsteps 15000 -resetstep 12000 -s
> production.tpr -noconfout -nb gpu -pme gpu -npme 1 -nstlist 80 -g
> nstlist_80_4rank -ntomp 10 -gputasks 0011
>
> Am I using both nodes in this case?
>
> Thank you,
> Searle
>
> --
> Searle Aichelle S. Duay
> Ph.D. Student
> Chemistry Department, University of Connecticut
> searle.duay at uconn.edu
> --
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