Hello,
These failures are benign and can be safely ignored.
All the best,
Jason
On Thu, Apr 28, 2011 at 9:07 AM, Vernon Bailey
<vernon.bailey.eng.ox.ac.uk>wrote:
> Hi,
>
> A build of amber on my system produces the following diff fails, with the
> further information below.
> Can anyone please tell me if these diffs are significant errors, and if so,
> how I deal with them?
>
> Many thanks!
>
> make[1]: Leaving directory `/users/vernon/amber/amber11/AmberTools/test'
> 496 file comparisons passed
> 2 file comparisons failed
> 0 tests experienced errors
> Test log file saved as logs/test_at_serial/2011-04-28_16-20-27.log
> Test diffs file saved as logs/test_at_serial/2011-04-28_16-20-27.diff
>
> vernon.fbg-cluster:~/amber/amber11/AmberTools/test> more
> logs/test_at_serial/2011-04-28_16-20-27.diff
> possible FAILURE: check sustiva.mol2.dif
> /users/vernon/amber/amber11/AmberTools/test/antechamber/sustiva
> 11c11
> < 5 C4 -1.6350 -0.3520 0.0320 c1 1 SUS
> -0.204100
> > 5 C4 -1.6350 -0.3520 0.0320 c1 1 SUS
> -0.203100
> ### Maximum absolute error in matching lines = 1.00e-03 at line 11 field 9
> ### Maximum relative error in matching lines = 4.92e-03 at line 11 field 9
> ---------------------------------------
> possible FAILURE: check FINAL_RESULTS_MMPBSA.dat.dif
> /users/vernon/amber/amber11/AmberTools/test/mmpbsa_py/06_NAB_Nmode
> 16c16
> < Vibrational: 20.2758 0.6142
> > Vibrational: 20.4813 0.1085
> 17c17
> < Total: 42.7343 0.6035
> > Total: 42.9398 0.0779
> ### Maximum absolute error in matching lines = 5.26e-01 at line 17 field 3
> ### Maximum relative error in matching lines = 6.75e+00 at line 17 field 3
>
>
>
>
>
>
> --
> Dr Vernon Bailey
> IT Support Officer
> Institute of Biomedical Engineering
> Department of Engineering Science
> University of Oxford
> Old Road Campus Research Building (off Roosevelt Drive) Headington,
> Oxford
> OX3 7DQ, UK
>
> Tel: +44-(0)1865-617697
> http://www.ibme.ox.ac.uk/
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Apr 28 2011 - 09:30:08 PDT
