Re: [AMBER] Question about Amber.

From: Adrian Roitberg <>
Date: Fri, 14 Sep 2018 08:39:51 -0400

Dear Azier and other members of the list.

Carlos already addressed the issue of testing, etc in his email.

I just wanted to point out that the sentence:

"Tested two systems have a GPU, _*both of them certified by you*_ (GTX
1080 and GTX TITAN), is possible that the different results can be
explained with this?"

is not quite accurate. The Amber team does not certify hardware or sell
hardware of any kind, and does not have any official affiliation with
vendors of such products.


On 9/14/18 8:08 AM, Asier Zorrilla wrote:
> Hello.
> Our users have test a data set with Amber (same version Amber and
> Amber_tools) in two machines but they obtain two diferent results.
> My questions:
> - There is any way (beyond benchmark test) to verify that the
> installation is ok and that the obtained values are fiable?
> - Tested two systems have a GPU, both of them certified by you (GTX
> 1080 and GTX TITAN), is posible that the diferent results can be
> explained with this?
> Thank.
> Center of Excellence Severo Ochoa (2017-2021)
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Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
AMBER mailing list
Received on Fri Sep 14 2018 - 06:00:05 PDT
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