CDash : UNRES

1.97s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-06-08 03:51:13
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9

Show Command Line

Show Test Time Graph

Show Failing/Passing Graph

Test output

CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9009886 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   8.23793E+01 AVE RMSD 8.97
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.49585E+01 RMS    8.87
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.25190E+01 AVE RMSD 1.67
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.49593E+01 RMS    2.44
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.27814E+01 AVE RMSD 8.60
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.49579E+01 RMS    8.33
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.28143E+01 AVE RMSD 9.41
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.49581E+01 RMS    9.11
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.28282E+01 AVE RMSD 8.33
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.49653E+01 RMS    8.15