[gmx-users] GPU and MPI

[Da-Wei Li]

Hi, Albertt

It is quite strange. Your log file should provide how many MPI ranks and
how many OPENMP threads per rank. Can you check that part to find how many
MPI ranks are there?

best,
dawei

On Mon, Sep 8, 2014 at 3:18 PM, Albert <mailmd2011 at gmail.com> wrote:

> HI Dawei:
>
> Yes, it is.
>
> I am running it in a workstation which have 1 CPU (20 cores) plus 2 GPU.
> It is not a server. That's why I use additional option:
>
> -ntomp 10
>
> So that each MPI rank can use 10 core CPU.
>
> This works fine in Gromacs-4.6.5, but it doesn't work in 5.0.1....
>
>
> thx
>
> Albertt
>
>
> On 09/08/2014 09:08 PM, Da-Wei Li wrote:
>
>> Hi, Albert
>>
>> I think the error message is very clear. You have one MPI rank per node,
>> but provide 2 GPUs per node. The "gpuid" argument is applied on each of
>> the
>> node.
>>
>> dawei
>>
>
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