CDash : UNRES

1.51s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-06-03 03:51:16
Repository revision: 14d7a0ae98facb625af26b66febcdc79e15f1e6a

Show Command Line

Show Test Time Graph

Show Failing/Passing Graph

Test output

CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9021406 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   8.11104E+01 AVE RMSD 2.12
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.36098E+01 RMS    2.63
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.11121E+01 AVE RMSD 9.05
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.35771E+01 RMS    9.49
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.11624E+01 AVE RMSD 9.71
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.36095E+01 RMS   10.36
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.19236E+01 AVE RMSD 8.27
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.36133E+01 RMS    9.00
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.20896E+01 AVE RMSD 8.40
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.36113E+01 RMS    7.97