1.86s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-03-20 22:42:18
Repository revision: 01df9c4e865c1c5c100a7132ed5a0819a5b52410
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; 621525696 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 -1.50013E+02 AVE RMSD 8.08
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48455E+02 RMS 8.47
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.49968E+02 AVE RMSD 2.44
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47847E+02 RMS 2.54
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.49881E+02 AVE RMSD10.26
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48642E+02 RMS 10.49
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.49702E+02 AVE RMSD 3.21
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48259E+02 RMS 3.35
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.48691E+02 AVE RMSD 9.20
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48017E+02 RMS 8.92