Gnu 4.8.3/Fedora 20 (3.17.4-200.fc20.x86_64)
I believe the diff is real. It appears that in the saved output the
first term is incorrectly listed as 'gb_gamma_cnu' which was later
corrected in the code to 'gb_alpha_nnu'; however the test output was
not updated.
-Dan
On Tue, May 19, 2015 at 2:10 PM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Tue, May 19, 2015, Dan Roe wrote:
>>
>> 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
>>
>
> What compiler/OS are you using? Is this a real diff or a fake one? Maybe
> related to using the "-t" option to dacdif? Can you manually check
> the two files involved, mdout.sander.OIN.MPI and mdout.sander.OIN.MPI.save?
>
> ...thanks!....dac
>
>
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--
-------------------------
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 - 14:00:02 PDT
