[gmx-users] GPU Hardware recommendations

[Sebastian Stammler]

Justin,

Thanks for the link, interesting article. It is only concerned with CUDA
performance, unfortunately. From what I read so far, it seems to me that
OpenCL performance was greatly improved recently.

I would love to search the mailing list like a forum, but googling e.g.
"site:mailman-1.sys.kth.se opencl" doesn't give me a nice overview of
what's going on... I'll probably touch a sensitive topic here, but why
is the Gromacs community still using mailing lists instead of operating
a proper forums software? ;)

Best,
Sebastian

On 10/10/2016 08:23 PM, Justin Lemkul wrote:
> 
> 
> On 10/10/16 1:36 PM, Sebastian Stammler wrote:
>> Hi GMXers,
>>
>> My research group wants to buy 1-2 new cluster servers (12 core Intel
>> Xeons) with 2-4 graphics cards per server for GPGPU computing. Budget
>> ~8k EUR. One of the main targets will be gromacs computations.
>>
>> Do you have any recommendations on the graphics cards, to get the best
>> performance at our budget? We would generally prefer OpenCL over CUDA.
>> But I know that CUDA was better supported for gromacs, is that still the
>> case in the recent gromacs version? How's the outlook of OpenCL vs. CUDA
>> performance for gromacs?
>>
> 
> Start here:
> 
> http://dx.doi.org/10.1002/jcc.24030
> 
> There are many recent discussions on performance, OpenCL, etc. in the
> mailing list archive.
> 
> -Justin
> 

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