[AMBER-Developers] why are all the pmemdTI tests failing?

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 18 Dec 2014 07:41:59 -0500

I'm hoping someone can look into this: for me, all the pmemdTI tests are
failing. The jobs run fine, but the final breakdown of DV/DL into pieces
(section headed "DV/DL, AVERAGES OVER n STEPS") gives all zeroes.

This on the master branch, and a Mac with gcc 4.9. If it works for you on
some other platform, please post info, since that would be a help. Or, if
there is someone more familiar with the code than I am, that would also be

In general, we need to start cleaning up the test cases, in preparation for
the upcoming developers' meeting. There are also test failures (at least for
me) in the ti_decomp sander tests and the softcore/dnylmb tests.


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Received on Thu Dec 18 2014 - 05:00:03 PST
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