1.51s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-05-07 04:48:28
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 3 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 7.72392E+01 AVE RMSD 8.92
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.96450E+01 RMS 8.77
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.76409E+01 AVE RMSD 9.32
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.96540E+01 RMS 9.64
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.76857E+01 AVE RMSD 7.40
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.96964E+01 RMS 7.14
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.80014E+01 AVE RMSD10.30
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.96487E+01 RMS 10.53
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.81078E+01 AVE RMSD 8.24
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.96857E+01 RMS 7.49