[gmx-users] multinode GPU mpi

Parker de Waal Parker.deWaal at vai.org
Thu Oct 29 01:45:27 CET 2015

Answered my own question:

Just because the log file only reports on the master node, that doesn¹t
mean the other node is not being used for calculations.

Everything is working as expected!


On 10/28/15, 8:11 PM, "gromacs.org_gmx-users-bounces at maillist.sys.kth.se
on behalf of Parker de Waal"
<gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of
Parker.deWaal at vai.org> wrote:

>Hi Everyone,
>I¹m trying to run GROMACS 5.0.6 over 2 nodes that each contain 2 K80
>GPUs, however it seems that GROMACS is unable to see more than one node.
>GROMACS was compiled with the following cmake arguments: cmake ..
>And my PBS submission script can be found here:
>When compiled without GPU support, everything works between nodes.
>If anyone has any ideas I would greatly appreciate it.
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