Re: [AMBER] [ambermd.org代发]Re: [ambermd.org代发]Re: Max relative errors questions in parallel and cuda.serial test

From: 石谷沁 <guqin.shi.qilu-pharma.com>
Date: Mon, 26 Apr 2021 00:37:13 +0000

Dear David,

Please see below link for the log files from "make test.cuda.serial".

https://drive.google.com/drive/folders/1wAUz_8538PwKDSVbM1ZR4wuDQsuybbKG?usp=sharing

there are .diff and .log from test_amber_cuda and test_at_cuda, respectively.
Please let me know if you could get access to the files successfully....

Best,
Guqin

-----邮件原件-----
发件人: David A Case [mailto:david.case.rutgers.edu]
发送时间: 2021年4月25日 20:04
收件人: AMBER Mailing List <amber.ambermd.org>
主题: [ambermd.org代发]Re: [AMBER] [ambermd.org代发]Re: Max relative errors questions in parallel and cuda.serial test

On Sun, Apr 25, 2021, 石谷沁 wrote:
>
>
>Here is my system:
>CentOS 7, 32 Xeon Gold cpus @3.3GHz, 1 Quadro RTX 5000 CUDA toolkit is
>11.1

Can you post the diff log from "make test.cuda.serial"? I think someone may be able to see if there are clues that arise from seeing exactly which test show possible failures, and which do not.

I have a Quadro RXT 5000 card, but it's on an Ubuntu system. I see a handful of DPFP failures there, but (aside from the "ignored" ones) all involve maximum relative errors of less that 1.e-6.

....dac


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Received on Sun Apr 25 2021 - 19:30:02 PDT
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