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 17:58:43 -0400

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
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Received on Fri May 14 2010 - 15:00:04 PDT
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