The memory won't affect the speed, it's just a question of fitting the
simulation in there. 30k-50k explicit will fit no problem. I'm not sure
about implicit, that's a big implicit system. You should check the
benchmarks page for an idea about the kind of speed you would get. I think
they have a 25k and 90k explicit system, so should give you a good general
idea of where you'll fall.
On Thu, Mar 21, 2013 at 11:24 PM, Mu Xia <muxiachuixue.163.com> wrote:
> Hi all,
>
>
> I am planning to buy a GPU card for acceleration of AMBER11. After a round
> of search, GTX580 was focused.
>
>
> The scale of MD is usually 30,000-50,000 atoms size. So, here come two
> questions:
>
>
> 1. Which memory should the GPU card be in my case? 1.5 G or 3 G? Is 1.5 G
> enough or not?
>
>
> 2. How many "ns" could the MD run in one day with GTX 580 1.5 G version?
>
>
> Thanks!
>
>
> Mu Xia,
> Zhejiang University
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Thu Mar 21 2013 - 21:00:03 PDT
