2.38s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-06-07 03:51:12
Repository revision: 60f96b7e80a20922d99bac9b854cf106b25b042c
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; 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 8.15543E+01 AVE RMSD 9.28
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.43433E+01 RMS 8.89
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.16473E+01 AVE RMSD 2.66
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.43448E+01 RMS 3.23
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.24661E+01 AVE RMSD 9.22
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.43440E+01 RMS 9.33
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.24771E+01 AVE RMSD 8.46
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.43557E+01 RMS 7.66
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.25076E+01 AVE RMSD 8.36
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.43493E+01 RMS 7.40