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
