I've created a first "release candidate" for Amber12. It comes in two parts:
http://ambermd.org/downloads/AmberTools12.09mar12.bz2
http://ambermd.org/downloads/Amber12.09mar12.bz2
At least for serial tests, things look pretty good except for some of the
mmpbsa tests (both perl and python). These may have been caused by very
recent changes to defaults in pbsa itself. Qin, Jason, Holger and Nadine
should be looking into these. Testing of the parallel and cuda codes is
especially encouraged, as are tests with different compilers.
Post your results on the Amber wiki:
http://ambermd.org/pmwiki/pmwiki.php/Main/Amber12Test
Please remember that what users will see are tarballs like those above, and
*not* what is in the git repo. Be alert for things that are mising from the
tarballs, or which are present but should not be. The Amber12 file is 40%
bigger than that for Amber11, so if there are things that don't need to be
there, please let me know.
...thx...dac
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Received on Fri Mar 09 2012 - 19:30:02 PST
