Re: [AMBER-Developers] GPU Test Cases

From: Jason Swails <>
Date: Mon, 16 Mar 2015 12:39:51 -0400

On Mon, Mar 16, 2015 at 12:34 PM, Ross Walker <> wrote:

> Okay - then I am fully open to other suggestions for fixing this.
> The rounding issues are there - they aren't going away so we need a test
> system that can handle this.

The rounding issues are easy to solve -- just increase the tolerance on the
tests (by as little as possible to make sure they pass on a wide range of
hardware). Again, if it was *just* the rounding issues, I'd have gone
ahead and fixed this a long time ago. I didn't want to touch the CUDA
tests until all of the failures were obvious hardware-related round-off

All the best,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER-Developers mailing list
Received on Mon Mar 16 2015 - 10:00:03 PDT
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