2.35s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-06-09 04:05:52
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
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Test outputCTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 353077662 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 8.39967E+01 AVE RMSD 8.19
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.65973E+01 RMS 8.22
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.40513E+01 AVE RMSD 3.29
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.66038E+01 RMS 1.57
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.41240E+01 AVE RMSD 8.86
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.66048E+01 RMS 9.09
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.42600E+01 AVE RMSD 8.35
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.66014E+01 RMS 10.32
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.50031E+01 AVE RMSD 9.46
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.66532E+01 RMS 8.94