2.25s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-06-17 03:54:13
Repository revision: 95cc80884174e2d4316e46f0fb50a061a1e20f76
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; 9013470 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 7.93822E+01 AVE RMSD 1.44
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.22405E+01 RMS 1.34
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.98167E+01 AVE RMSD 3.75
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.22395E+01 RMS 2.87
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.00931E+01 AVE RMSD10.13
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.22392E+01 RMS 10.50
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.02521E+01 AVE RMSD 8.50
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.22497E+01 RMS 8.57
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.05347E+01 AVE RMSD 7.96
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.22437E+01 RMS 7.69