1.96s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR
(dell15)
on 2020-04-13 04:29:45
Repository revision: 5673961eec8f29bcff4be10a73b31f835ac927db
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
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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 7.69956E+01 AVE RMSD 1.35
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.99678E+01 RMS 1.45
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.73610E+01 AVE RMSD 1.40
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.99693E+01 RMS 1.28
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.74762E+01 AVE RMSD 1.20
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.99694E+01 RMS 1.06
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.88832E+01 AVE RMSD 2.32
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.99877E+01 RMS 2.64
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.96087E+01 AVE RMSD 4.23
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.03560E+01 RMS 4.73