[gmx-users] GPU and MPI

[Albert]

Now the question is how can we solve the problem in GPU workstaton and 
make two GPU work together for one task?

thx

Albert


On 09/08/2014 04:18 PM, Da-Wei Li wrote:
> I have found my mistake and hopefully this information is useful.
>
> This is caused by pinning of OPENMP threads by MPI. By default, all OPENMP
> threads belongs to each MPI rank will run on one core only in our cluster.
> I didn't realize this partially because Gromacs's thread MPI (this is
> employed when I run Gromacs on one node only) doesn't have this problem.
>
> best,
>
> dawei