[gmx-users] GMX 5.0.6 on nodes with gpus

[Deva P.]

On Wednesday, September 16, 2015 03:20:31 PM Mark Abraham wrote:
> Hi,
> 
> That's normal - we just didn't write the code to collect and compare the
> information. 5.1 is better at this. Anyway, 5.0 mdrun will assume the
> second node is the same as the first and proceed.
> 
> Mark
> 
> On Wed, Sep 16, 2015 at 5:12 PM <devapriyachem at gmail.com> wrote:
> > Hello,
> > 
> > I am running GMX 5.0.6 on 2 nodes of a cluster. Each node has 1 gpu (Tesla
> > k20). In the log file, gmx reports that the program is running on 2 ranks
> > and
> > reports that it detects 1 gpu on one node.
> > 
> > However, it says nothing about the gpu on second node. My guess is that
> > this
> > is not normal.  The mpi is handled by ibrun.
> > 
> > ibrun -np 2 mdrun_mpi_gpu -gpu_id 0 -s md-01.tpr -x md-01.xtc -e 
md-01.edr
> > -g
> > md-01.log
> > 
> > I am not sure how to fix the input, any pointers are greatly appreciated.
> > 
> > Thanks,
> > Deva.
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Thanks a lot, Mark.