On Tue, Oct 31, 2017, Crystal Vander Zanden wrote:
> possible FAILURE: check FINAL_RESULTS_MMPBSA_1.dat.dif
>
> /Applications/amber16/AmberTools/test/mmpbsa_py/07_Comprehensive
>
> 39c39
>
> < Total -13.7036 1.8048
> 0.8071
>
> > Total -7.4211 2.0042
> 0.8963
>
We indeed know about this, but have never been able to track it down. I
think it only shows up on MacOS, but is not specific to any particular
compiler. (Others can chime in with more info.) Maybe highlighting it again
the mailing list will prompt someone to get it narrowed down.
....dac
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Received on Tue Oct 31 2017 - 18:00:02 PDT
