Re: [AMBER] AMBER18 on RTX 2080Ti

From: Pratul Agarwal <pratul.agarwal-lab.org>
Date: Tue, 18 Dec 2018 01:16:31 +0000

First let me give kudos to Dave (and Ross) for doing the hard work on GPU benchmarking and keeping the web-page up to date :)

As Dave mentioned, 8 RTX 2080 cards in a "box" will generate a lot of heat if they are all running at full or near full capacity! Make sure that the vendor has tested the case+fans with the 8 GPU combination in full throttle mode for cooling. Power is another major concern, you probably need 2500-3000 Watts in supply per node. We can discuss this in more detail, if you like ...


Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/




On 12/17/2018 7:46 PM, Rui Sun wrote:

Thank you for the quick response, Dave.

If I may bother you with another question, the options that I have right
now are:
#1: *4* units of RTX 2080 + 2 units of Intel Gold 5115 per node ($16,000)
#2: *8* units of RTX 2080 + 2 units of Intel Gold 5115 per node ($26,000)

Apparently, the 8-unit node will be more cost-effective but do you think I
might have a cooling issue?

Best,
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


On Fri, Dec 14, 2018 at 1:13 PM David Cerutti <dscerutti.gmail.com><mailto:dscerutti.gmail.com> wrote:



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.

Dave


On Fri, Dec 14, 2018 at 5:54 PM Rui Sun <ruisun.hawaii.edu><mailto:ruisun.hawaii.edu> 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 Mon Dec 17 2018 - 17:30:02 PST
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