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
Received on Thu Apr 28 2011 - 09:30:06 PDT
