Thanks Jason and Ross,
Indeed, I have no intention of running pmemd.cuda, it was merely to see if I
could compile it on my Mac. I am aware of the issues with SPSP.
On the other point, I guess Jason may be right as I am using gcc 4.4. So
let's forget it about it and resume only when I put my hands on a proper
nvidia hardware.
Cheers,
Alan
On Wed, May 5, 2010 at 16:27, Ross Walker <ross.rosswalker.co.uk> wrote:
> Dear Alan,
>
> > Well, I tried pmemd.cuda on macbookpro. First I know nvida 9600GT is
> > not
> > supposed to be supported and this GPU is hardware revision 1.0 (so no
> > double
> > precision). Besides, nVidia does a hell for Mac by not providing all
>
> Please note that the code will not run, even in single precision mode on
> 1.0 hardware so you will not get a working executable here even if you
> manage to get it compiled. The configure switches compile only for 1.3 and
> 2.0 hardware. Additionally shake requires double precision so even compiling
> in SPSP mode you do NOT get a pure single precision executable.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
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--
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<<
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Received on Wed May 05 2010 - 08:30:03 PDT
