2.24s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-05-15 04:46:37
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 8.44411E+01 AVE RMSD 3.54
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.70719E+01 RMS 3.54
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.44455E+01 AVE RMSD 9.18
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.70735E+01 RMS 9.53
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.48695E+01 AVE RMSD 7.65
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.70755E+01 RMS 7.69
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.49544E+01 AVE RMSD 8.95
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.70754E+01 RMS 9.18
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.54133E+01 AVE RMSD 7.18
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.71322E+01 RMS 5.81