Hello,
On Tue, May 4, 2010 at 10:17 AM, Axel <axbchb.gmail.com> wrote:
> Hi there,
>
> we have some MacPros in our lab with GTX285 cards and plan to update Amber
> to the new version. It would be great if we could take advantage of these
> to
> run the CUDA version of PMEMD.
>
> Has anyone compiled and tested the CUDA version of pmemd on this type of
> configuration?
>
I have tried compiling pmemd.cuda on my macbook. It is difficult. You
essentially have to use ./configure.advanced in the $AMBERHOME/src/pmemd in
my experience. Also make sure you've built gnu 4.3 from macports, since I
don't think cuda works with 4.4 and later...
Then, to use the nvcc for mac (which only compiles in 32-bit), you have to
add -m32 to all of the flags (cflags, cppflags, fflags, etc.).
That's enough to get started, I suppose.
Good luck!
Jason
> Thanks in advance,
>
> AXEL
>
> --
> Axel Bidon-Chanal Badia
> Departament de Fisicoquímica
> Facultat de Farmàcia
> Universitat de Barcelona
> Av. Joan XXII s/n,
> 08028 Barcelona
> Spain
> _______________________________________________
> 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 Tue May 04 2010 - 08:30:05 PDT
