[AMBER-Developers] GPU Test Cases

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 16 Mar 2015 10:04:08 -0600

Hi All,

I'd like to revisit the issue of the GPU test cases showing lots of
diffs due to different underlying GPU hardware/RNGs etc. I think that
1) the option to use the CPU RNG so that stochastic tests will not
rely on widely varying GPU RNGs (I think this was suggested by Jason a
while back) should be implemented, and 2) the remaining tests should
have their tolerances adjusted to what we believe is acceptable. My
fear is that since there are so many differences now (on local
machines here for example I get '39 file comparisons failed') it may
be easier for bugs to creep in. Thoughts?


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Mar 16 2015 - 09:30:02 PDT
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