1.74s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y
(dell15)
on 2020-06-13 04:15:04
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; 620763840 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 -1.55848E+02 AVE RMSD 3.98
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.54064E+02 RMS 3.99
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.55480E+02 AVE RMSD 7.95
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53687E+02 RMS 7.42
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.55146E+02 AVE RMSD 9.03
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53747E+02 RMS 9.29
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.54965E+02 AVE RMSD 9.95
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53545E+02 RMS 10.14
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.54889E+02 AVE RMSD 4.46
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.54012E+02 RMS 3.90