Nevermind! I manually deleted the whole test directory, not realizing that
AmberTools 1.5 ships with an $AMBERHOME/test/ndiff.awk (the only file in
that directory). I just removed the whole directory and didn't think to
check that it actually existed as part of AT.
Sorry for the extraneous/erroneous report.
On Fri, Apr 15, 2011 at 5:43 PM, Jason Swails <jason.swails.gmail.com>wrote:
> I'm guessing we've started the bugfix season on AmberTools 1.5, right? The
> issue is that AmberTools' dacdif script looks for ndiff in $AMBERHOME/test,
> which won't exist without Amber. Not a glitch Amber developers are likely
> to catch, and not one I saw since I always tried to build and test alongside
> amber11... (indeed, it wasn't caught at all in AmberTools 1.4). It may be
> that only MMPBSA.py uses this feature of dacdif.
>
> Should I go ahead and create the patch and start the AmberTools 1.5 bugfix
> section on the website? (I kinda wished it took longer to find the first
> one...)
>
> Testing MMPBSA.py without amber11/test present:
>
> diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
> awk: cannot open /home/ambermd/amber11/test/ndiff.awk (No such file or
> directory)
> possible FAILURE: check FINAL_RESULTS_MMPBSA.dat.dif
> ================================================================
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Apr 15 2011 - 18:00:05 PDT
