[gmx-users] Re: GROMACS and GPGPU

Jose Duarte duarte at molgen.mpg.de
Tue Sep 30 10:17:25 CEST 2008


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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