Re: [AMBER] Amber CUDA calcualtion on GeForce GTX 590 ?

From: Ross Walker <>
Date: Thu, 31 Mar 2011 11:23:31 -0700

Hi Marek,

> I was mentioned "Gainward GeForce GTX 580 Phantom 3GB" in my previous,
> contribution, which seems to me as a good substitution for
> significantly
> more
> expensive Tesla C2050. In your opinion should be this GTX card OK for
> Amber cuda calculation ?

Certainly this should work fine. Of course that is with the same caveat as all the other GeForce cards. That they are not so well tested, can overheat, can be flakey occasionally etc. Hence I would just be careful if this card is overclocked as that could cause stability issues but otherwise you should be ok.

> I also asked you about the actual statut of citation of your paramfit
> routine - still just "personal
> communication" or you already published it somewhere ?

I am working on an updated version of this that I hope to release publically in a few months. It will be much simpler to use, have full documentation etc. Ultimately I plan to include this in AMBERTools, it just isn't quite ready for public release yet.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Thu Mar 31 2011 - 11:30:04 PDT
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