Re: [AMBER] AMBER18 on RTX 2080Ti

From: David Cerutti <>
Date: Fri, 14 Dec 2018 18:09:21 -0500

The RTX-2080Ti is performing very well, but be careful about the cooling!
I want to release a patch and I know what fixes to make, but I still don't
have a good test platform as the card in my new workstation is getting up
to 88*C (it'll shut down for safety purposes at 89). The card is also not
putting out the performance that RTX-2080Tis in Ross's machines, which seem
to have better cooling, are able to do. This is a 300W card--and while 300
versus 250W may not seem like a big deal consider the excess heating in a
confined volume of the same size inside a system of the same size with the
same fans. About like you if you started eating two extra candy bars a
day--the calories would add up fast. So the benchmark numbers on the
website are genuine, and the GB portion may even come up to speed with
Volta more once we retune those kernels for Turing, but understand that
this horse needs lots of water.


On Fri, Dec 14, 2018 at 5:54 PM Rui Sun <> wrote:

> Dear AMBER Users,
> I was wondering if I could get some information on the performance of
> AMBER18 on the recently-released RTX 2080Ti. How is it comparing to Titan
> V?
> Currently, I am considering buying a few GPU nodes and I am currently
> debating between the following two configurations:
> #1: 4 units of Titan V + 2 units of Intel Gold 5115 per node
> #2: 8 units of RTX 2080 + 2 units of Intel Gold 5115 per node
> Thank you so much,
> Rui
> *Rui Sun*
> Assistant Professor
> Department of Chemistry
> University of Hawaii at Manoa
> Bilger 245B
> 2545 McCarthy Mall
> Honolulu, HI 96822-2275
> Phone: (808) 956-3207
> _______________________________________________
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Received on Fri Dec 14 2018 - 15:30:02 PST
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