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

From: David A Case <david.case.rutgers.edu>
Date: Sun, 25 Apr 2021 08:03:54 -0400

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 - 05:30:03 PDT
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