Re: [AMBER] IEEE_OVERFLOW_FLAG

From: David A Case <david.case.rutgers.edu>
Date: Mon, 22 Feb 2021 07:56:33 -0500

On Tue, Feb 09, 2021, Mudrovcic, Korana wrote:

>In our research group, our calculations get the following note:
>
>Note: The following floating-point exceptions are
>signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG
>IEEE_DENORMAL
>
>This note is signalling with AMBER20 as well as with AMBER18 (we are using
>CUDA 10.2 version) and is also triggered in the tests despite all of them
>passing. This makes us believe that the results are not affected, and that
>the warning is harmless (?).

This is what Amber developers assume, but I don't know that it has ever been
investigated thoroughly.

...dac


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Received on Mon Feb 22 2021 - 05:00:03 PST
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