CDash : UNRES

1.97s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-04-07 04:55:42
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; 9185406 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   7.83617E+01 AVE RMSD 1.44
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.13331E+01 RMS    1.36
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.85177E+01 AVE RMSD 1.24
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.13361E+01 RMS    1.20
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.97209E+01 AVE RMSD 2.62
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.13437E+01 RMS    3.00
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.01569E+01 AVE RMSD 1.48
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.13432E+01 RMS    1.42
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.03603E+01 AVE RMSD 3.96
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.15350E+01 RMS    3.80