[gmx-users] multinode GPU mpi

[Parker de Waal]

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!

Cheers

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 ..
>-DGMX_BUILD_OWN_FFTW=ON
>-DCUDA_TOOLKIT_ROOT_DIR=/cm/shared/apps/cuda70/toolkit/7.0.28
>-DGMX_MPI=ON -DGMX_GPU=ON
>-DCMAKE_INSTALL_PREFIX=/home/parker.dewaal/applications/GPUmpi
>
>And my PBS submission script can be found here:
>https://secure-web.cisco.com/1J_7bAhF_HY_KTmLB21Ss3kFB4uCtPkBZcGojzn4xkJ_v
>B54LESBckbCATyhfBzAZDzYFUZFtSvtDwKsDVVQLiDNwXYa8ATy-jwZQBeHnHdqAKWqwQaJSik
>8Hmq2nY-XrHFk9_tPwkMK4iZCtdBTo1CFuMZKwzYAQZJIyndZQMw6bnfmfzYi-fxwRZy-gN_vD
>4JLoV3TXtiFTfo88wSw_D2VGCODpD-M8gTpbKjn3_is/https%3A%2F%2Fgist.github.com%
>2Fanonymous%2F30e5f15373dd116dda41
>
>When compiled without GPU support, everything works between nodes.
>
>If anyone has any ideas I would greatly appreciate it.
>
>Best,
>Parker
>-- 
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