On Sun, Nov 27, 2011 at 1:57 PM, Yong Duan <duan.ucdavis.edu> wrote:
>
> Hi Jason,
>
> You noted on git log that the ff11 branch leap is broken. Can you tell me
> where is the test directory of leap?
>
$AMBERHOME/AmberTools/test/leap
You can run the test suite via the command "make test.leap" in the
$AMBERHOME/AmberTools/test directory.
It appears that the errors I was getting are no longer reproducible. It
was complaining about badd comparisons to NULL, IIRC. In any case, those
errors are gone now (maybe it was something I was doing that caused the
errors in the first place, but it works on Mac with GNU 4.4.6 and on Ubuntu
with Intel 12.1.0).
So I merged master into ff11 and pushed in the changes (and I updated the
tests to reflect the IPOL section). The rest of the topology was
identical. Hopefully we can get some LEaP tests uploaded soon so we can
more rigorously test LEaP additions (and push the ff11 branch into master).
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Sun Nov 27 2011 - 13:00:03 PST
