2.08s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-06-05 03:51:40
Repository revision: 14d7a0ae98facb625af26b66febcdc79e15f1e6a
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; 9021406 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 8.10285E+01 AVE RMSD 8.97
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.37002E+01 RMS 9.49
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.10981E+01 AVE RMSD 1.96
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.37285E+01 RMS 1.45
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.12131E+01 AVE RMSD 9.98
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.37320E+01 RMS 10.36
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.18674E+01 AVE RMSD 8.28
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.37355E+01 RMS 9.00
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.22088E+01 AVE RMSD 8.40
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.37339E+01 RMS 7.97