I do hope in a not distant future to have AMBER running in OpenCL. This
would sort several issues in my opinion starting with the annoying fact the
nvcc doesn't work with gcc > 4.3, no 64 bits runtime lib in Mac, no ATI
support (believing they would comply with opencl) etc. Bottom line, getting
rid of proprietary solutions.
Well I may not being fair since coding for OpenCL would be a new demanding
and likely huge task as well, let alone the maturity of Cuda versus OpenCL.
Don't get me wrong here. Having Cuda is simply fantastic. I just hope that
we can have OpenCL on board as well.
Alan
On Thu, May 13, 2010 at 15:10, Jason Swails <jason.swails.gmail.com> wrote:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 13 2010 - 08:00:06 PDT
