Hi All,
Currently a decent amount of tests are failing for sander. Examination
of the diffs shows many of them to be innocuous output format changes.
Some examples:
possible FAILURE: check mdout.dhfr.noshake.dif
/home/droe/Amber/GIT/amber/test/dhfr
63d62
< Number of triangulated 3-point waters found: 6810
---------------------------------------
possible FAILURE: check mdout.sander.OIN.MPI.dif
/home/droe/Amber/GIT/amber/test/sander_OIN_MPI
58c58
< gb_gamma_cnu = 0.6863, gb_beta_nnu = 0.4631,
gb_gamma_nnu = 0.1387
> gb_alpha_nnu = 0.6863, gb_beta_nnu = 0.4631, gb_gamma_nnu = 0.1387
This is a plea to everyone: when you make *any* changes to the code,
please make sure you run the tests! If there are output format changes
like above make sure you update the test output as well. False
positives like the above make it difficult to spot any real bugs that
may creep into the code, which makes development a real PITA.
Thanks,
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue May 19 2015 - 09:30:02 PDT
