[gmx-users] AMD GPUs

[mail at 2718-mail.de]

Any estimate when this release is to be expected?


Quoting Szilárd Páll <pall.szilard at gmail.com>:

> I was referring to the OpenCL port. We are working with the
> Streamcomputing guys on the OpenCL port, the code is in review at the
> moment. We expect to have OpenCL for AMD and NVIDIA (for demonstration
> purposes only) support in the next release.
>
> If interested, grab the code here:
> https://gerrit.gromacs.org/#/c/4314
>
> --
> Szilárd
>
>
> On Thu, Dec 18, 2014 at 11:30 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
>> How about the open cl port of gromacs?
>>
>> http://streamcomputing.eu/blog/2014-11-01/ported-gromacs-cuda-opencl/
>>
>> might have to check the list of bugs of 5.0 though.
>>
>> On Thu, Dec 18, 2014 at 5:16 AM, Szilárd Páll <pall.szilard at gmail.com>
>> wrote:
>>>
>>> Hi,
>>>
>>> Please don't hijack other discussion threads!
>>>
>>> AMD GPUs will be supported in the next release, people did not use
>>> them before because they were not supported.
>>>
>>> Regarding performance, I only know the results of some early
>>> benchmarks in which the fastest card used was an R9 290 and ran about
>>> as fast as as GTX 780. Based on this expect that even the R9 290X will
>>> be a lot slower than a GTX 980, but it would be great if people on the
>>> list could try.
>>>
>>> Cheers,
>>> --
>>> Szilárd
>>>
>>>
>>> On Thu, Dec 18, 2014 at 9:26 AM, Albert <mailmd2011 at gmail.com> wrote:
>>> >
>>> > Hi Szilard:
>>> >
>>> > If I understand correctly, Gromacs also support AMD GPU? How fast is it?
>>> I
>>> > never see people use it beforer....
>>> >
>>> > THX
>>> >
>>> > Albert
>>> >
>>> >
>>> > On 12/17/2014 10:09 PM, Szilárd Páll wrote:
>>> >>
>>> >> Hi Jason,
>>> >>
>>> >> Good point, separate PME ranks may very well be able to help in this
>>> >> case. I typically use half of the ranks for PME with AMD CPU-based
>>> >> machines (from  3-4 sockets and above).
>>> >
>>> >
>>> --
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