Re: [AMBER] problems enabling CUDA for Amber 11 on Mac OS X 10.6

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 14 May 2010 18:12:05 -0400

On Fri, May 14, 2010 at 6:03 PM, Thomas Patko <tpatko.gmail.com> wrote:

> I believe that the GTX 285 card is the currently best available on the Mac
> platforms, at least in regards to CUDA calculations:
>
> http://eshop.macsales.com/item/EGVA/01GP31080TR/
>

Sure, but this is not an option in the apple store. And Mac Pros are
expensive enough without dropping $500 for a rather run-of-the-mill video
card (available for non-macs for $350). If I was going to spend $500 for a
video card, I'd like it to be a Fermi :)


>
> Cheers,
>
> Thomas
>
> On Fri, May 14, 2010 at 2:58 PM, Jason Swails <jason.swails.gmail.com
> >wrote:
>
> > Hello,
> >
> > On Fri, May 14, 2010 at 4:16 PM, Steve Constable
> > <sjconstable.uwaterloo.ca>wrote:
> >
> > > Hello,
> > >
> > > I am currently trying to install Amber 11 with nVidia CUDA support on
> my
> > > Mac OS X 10.6 workstation. When it comes time to build CUDA support,
> the
> > > linking stage fails because nVidia only provides i386 libraries, and
> > amber
> > > is built for the x86_64 architecture in 10.6. I tried to hack my own
> > > configure script that would build Amber for the i386 architecture, but
> I
> > > again experienced linker problems (netCDF refused to export symbols
> > > correctly, and pmemd.cuda could not load the CUDA dynamic libraries
> > > correctly.) I'm including my customized configure script for
> reference,
> > and
> > > I am using the GCC 4.5 suite from hpc.sourceforge.net<
> > > http://hpc.sourceforge.net/>.
> > >
> >
> > I spent a couple weeks trying to get it to work awhile ago (prior to
> > release). It won't. I got as far as forcing the .cpp code to be
> compiled
> > with g++ (got rid of some errors), and adding the -m32 flag to the gnu
> > compilers to force a 32-bit build (since you're right, mac nvcc is 32-bit
> > only), but I never got it working.
> >
> > Another thing worth trying is to install GCC 4.3 or earlier using
> macports
> > or fink. GCC 4.5 won't work with the current nvcc (check google, this
> will
> > confirm). However, I gave up on this since I had errors building GCC 4.3
> > with macports (probably because I made macports gcc 4.4 my default
> > compilers
> > and macports was expecting the xcode version).
> >
> > Macs also don't ship with the best cards for doing calculations on (last
> I
> > checked you couldn't customize a mac with a video card having more than
> 512
> > MB of dedicated video RAM).
> >
> > If you do have any success with my above-mentioned tips, please post back
> > since it would be worth knowing
> >
> > (If I recall, I think I got a non-working binary compiled once, but I'm
> not
> > sure :)).
> >
> > All the best,
> > Jason
> >
> >
> > >
> > > Thank You
> > > -------------------------------------
> > > Stephen J. Constable
> > > University of Waterloo
> > > Waterloo, Ontario, N2L 3G1
> > > sjconstable.uwaterloo.ca<mailto:sjconstable.uwaterloo.ca>
> > > (519) 888-4567 x34099
> > >
> > > _______________________________________________
> > > 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
> >
> _______________________________________________
> AMBER mailing list
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> 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 Fri May 14 2010 - 15:30:07 PDT
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