[mvapich-discuss] mvapich and gromacs4.6

[sreeram potluri]

Dear Yang,

To make sure I understand you correctly, you are seeing an issue when
running Gromacs across two or more GPUs on the same node, using MVAPICH2?

MVAPICH2 does has support for GPU-GPU MPI communication on multi-GPU nodes.
Can you give some more information below about the issue?

the configure options you used to build the library

the command you are using for the run

a backtrace, if its a hang, or the error, if its a failure

configuration of the nodes

This will help us see what could be going on.

Best
Sreeram Potluri


On Fri, Nov 15, 2013 at 7:28 AM, <hpc at lzu.edu.cn> wrote:

> Dear All
>
>    I want to install gromacs4.6 at infiniband network.I installed the
> mvapich2-2.0a, gromacs4.6 support the GPUs,but when I running mpirun with
> mvapich,I found mvapich is only running one GPU, if I use two or more GPU,
> gromacs is not running. Anyone meet this problem? openmpi is support
> muliti-GPU.I don not know if the mvapich is only support one GPU. Maybe I
> install process have problem. anyone have suggestion for me, I am very
> appreciate. thanks!
>
> Best wishes
>
>
> yang
>
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>
>
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