[gmx-developers] Branches w/working OpenCL support

Mark Abraham mark.j.abraham at gmail.com
Thu Jun 25 17:02:41 CEST 2015

Hi Mirco,

I got local access to a machine with two AMD GPUs, and ran into the same
initialization issues I'd seen with Nvidia runtimes, so I have updated
https://gerrit.gromacs.org/4314 so that in 5.1 GROMACS will never use more
than one OpenCL device per node. We can probably fix that in the longer
term, but it seems like issues of host-side concurrency are not treated in
the OpenCL standard (or at least the implementations we've targeted), and
we didn't do a good enough job of anticipating and managing that.

However, being able to use one AMD GPU per node is still a very good thing,
and confirmation that seems to work for you would be great!



On Mon, Jun 22, 2015 at 8:55 PM Mirco Wahab <
mirco.wahab at chemie.tu-freiberg.de> wrote:

> On 22.06.2015 20:40, Mark Abraham wrote:
> > ... forgetting to commit matching changes to the code. Roland's fixed
> some
> > MSVC issues, and the gmx_wham #include issue is also merged. The one
> > thing we don't have the ability to test locally is a run with two
> > domains, each on separate AMD GPU (because we only have one, so far!) so
> > if you have been / are able to test that case, that would be very
> > welcome. https://gerrit.gromacs.org/#/c/4314/ is based on all the fixes
> > so far.
> I'm back at my AMD-box on thursday evening european time and will
> test the changes immediately - and post the results then.
> Regards
> M.
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