Re: [AMBER] GPU card for AMBER

From: Ross Walker <>
Date: Sat, 17 Nov 2018 10:15:02 +0000

Hi Fabian,

Not sure how you are concluding the Titan XP gives the best performance per money. Take a look at the first plot here: <>

Or directly <>

This is cost per nanosecond relative to a GTX-1080. As of today the RTX-2080 offers the best performance per dollar. The other option if you favor raw performance would be the RTX-2080TI. This provides performance equivalent to, and in a lot of cases better than the V100s at a fraction of the cost.

So you choice is really between the 2080 and 2080TI.

Note do NOT buy the NVIDIA reference design cards, which have twin fans. The cooling is awful and there are even reports of people buying them for gaming seeing them catch fire. Make sure you get the single fan blower design.

All the best

> On Nov 15, 2018, at 11:16, Fabian Glaser <> wrote:
> Hi folks,
> I am replacing my four GeForce GTX 980 cards, what will the current standard GPU, that provides the best performance per money replacement ro run AMBER (1 run x node)?
> I saw the benchmark, according to it would this be the Titan XP?
> Thanks!
> Best,
> Fabian
> Fabian Glaser PhD
> Head of the Structural Bioinformatics section
> Bioinformatics Knowledge Unit - BKU
> The Lorry I. Lokey Interdisciplinary Center for Life Sciences and Engineering
> Technion - Israel Institute of Technology, Haifa, Israel
> Web <>
> Tel +972 (0) 4 8293701
> _______________________________________________
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Received on Sat Nov 17 2018 - 02:30:02 PST
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