1.28s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI NEWCORR
(dell15)
on 2020-04-08 04:04:06
Repository revision: 7c5373260289072f6022e1d937ab775fc820e6a2
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; 9185406 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 1.15418E+02 AVE RMSD 1.43
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.18231E+02 RMS 1.40
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 1.15730E+02 AVE RMSD 1.26
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.18232E+02 RMS 1.05
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 1.15892E+02 AVE RMSD 1.26
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.18231E+02 RMS 1.05
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.16242E+02 AVE RMSD 1.44
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.18232E+02 RMS 1.31
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.16739E+02 AVE RMSD 1.43
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.18237E+02 RMS 1.27