Execution Time1.39s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2020-04-06 04:38:43
Repository revision: 7c5373260289072f6022e1d937ab775fc820e6a2


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 164773118 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   1.02519E+02 AVE RMSD 1.34
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.05691E+02 RMS    1.40
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   1.03670E+02 AVE RMSD 1.42
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.05694E+02 RMS    0.80
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   1.03910E+02 AVE RMSD 2.84
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.05693E+02 RMS    2.47
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   1.04018E+02 AVE RMSD 3.35
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.05694E+02 RMS    3.83
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.04363E+02 AVE RMSD 4.35
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.05740E+02 RMS    3.88