[gmx-users] Re: GROMACS and GPGPU

[Erik Lindahl]

Hi,

Please search the list - all this stuff will be available in Gromacs  
once we have neighborlists and PME working, but that's non-trivial  
work ;-)

Cheers,

Erik

On Sep 30, 2008, at 10:17 AM, Jose Duarte wrote:

> Hi Tiago
>
> I think this is precisely what the foldin at home people are doing.  
> Apparently the just released a preview of the OpenMM API and they  
> intend to release gromacs code using the API in December:
>
> https://simtk.org/project/xml/news.xml?group_id=161
>
> Maybe somebody on the list more familiar with this project can  
> comment on that.
>
> Jose
>
>
>
> Tiago Marques wrote:
>>
>> Anyone?
>>
>>
>> On Sat, Sep 27, 2008 at 1:50 AM, Tiago Marques <a28427 at ua.pt <mailto:a28427 at ua.pt 
>> >> wrote:
>>
>>    Hello.
>>
>>    Is any work being done to have GROMACS compute on GPUs?
>>
>>    I'm interested in performing research in this area.
>>
>>    Best regards,
>>
>>                             Tiago Marques
>>
>>
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