1.68s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-04-19 09:22:31
Repository revision: f157749e47c643286518267992ae6bdae3289473
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 6.98522E+01 AVE RMSD 7.88
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.22326E+01 RMS 7.55
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 6.99423E+01 AVE RMSD 3.88
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.22324E+01 RMS 3.66
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.00560E+01 AVE RMSD 3.73
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.22366E+01 RMS 3.63
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.02331E+01 AVE RMSD 9.93
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.22449E+01 RMS 10.02
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.08213E+01 AVE RMSD10.86
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.22911E+01 RMS 10.15