Support for AMD GPUs would be an exercise in frustration at this point. While it would be platform-independent, the state of OpenCL does not easily lend itself to multi-GPU applications nor does it expose much of the functionality I exploited in the AMBER port.
John Stone ported some CUDA code to OpenCL last year. It involved a fair amount of special-case code and achieved approximately 1/2 the performance of NVidia's last generation GPU, the GTX285, on their latest greatest, the 5870.
That said, in a year or two, it may be a whole new ballgame...
Scott
-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf Of Jason Swails
Sent: Thursday, May 13, 2010 07:11
To: AMBER Mailing List
Subject: Re: [AMBER] AMBER SUPPORT FOR ATI GPUs ?
2010/5/13 Marek Maly <marek.maly.ujep.cz>
> Dear all,
>
> if I understood well, at present only NVIDIA GPUs are supported
> for Amber 11 calculations.
>
> Is there any hope that in close future also support for ATI GPUs will be
> implemented ?
>
Probably not... The current GPU implementation uses CUDA, which is an
NVidia-proprietary software that they have written for their GPUs. As far
as I know, ATI has not released or developed an API to facilitate this kind
of development on their GPUs.
Furthermore, scientists/engineers from NVidia itself have had a hand in
helping the development of pmemd.cuda (Dr. Scott Le Grand).
If this is not the case, Ross may chime in here and surprise me, but I
believe it will be NVidia-exclusive for awhile.
All the best,
Jason
> Best,
>
> Marek
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu May 13 2010 - 12:00:04 PDT
