[gmx-users] GPU and MPI
yliu120 at jhmi.edu
Mon Sep 8 18:50:33 CEST 2014
For using two GPU, just add option -gpu_id 01 to specify each gpu for each MPI process.
Sent from my iPhone
> On Sep 8, 2014, at 10:22 AM, "Albert" <mailmd2011 at gmail.com> wrote:
> Now the question is how can we solve the problem in GPU workstaton and make two GPU work together for one task?
>> 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.
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