Re: [AMBER-Developers] CUDA build fails for PBSA

From: Ray Luo <>
Date: Fri, 10 Mar 2017 09:56:44 -0800


Will update the licenses file next ...

As for portability issues, the good news is that CUSP files are only
used when CUDA is invoked. No CUSP file is used in any other setup.

Is PMEME.CUDA compatible with PG/Intel compilers? I don't have either
on our Rocks cluster right now.

All the best,

Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical Physics, Biomedical Engineering, and Chemical Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Fri, Mar 10, 2017 at 7:39 AM, David Case <> wrote:
> On Fri, Mar 10, 2017, Dan Roe wrote:
>> Also, note that cusp is distributed under the Apache 2.0 license,
>> which appears to be incompatible with the gnu LGPL 2.1 that Amber is
>> distributed under:
> Where do we mention LGPL v2?  Both the LICENSE file and the GNU_LGPL_v3 file
> in $AMBERHOME/AmberTools state that we use version 3 of the GPL and LGPL.
> And version 3 is compatible with apache2, according to the web page cited
> above.
> I'm guessing that somewhere else there must be an (incorrect) reference to
> LGPL 2.1; if so, we should get that fixed.
> Ray: be sure to update the LICENSE file if we are planning to include cusp
> libraries in the distribution.  (Seems dangerous at this late date--has
> any Amber person ever used these libraries with portland group, intel, cray,
> etc compilers?)
> ....dac
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Received on Fri Mar 10 2017 - 10:00:04 PST
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