2.57s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-05-20 03:52:14
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f
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; 3 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 7.86384E+01 AVE RMSD10.30
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.11993E+01 RMS 9.85
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.87042E+01 AVE RMSD 2.71
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.12005E+01 RMS 2.47
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.88063E+01 AVE RMSD 9.05
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.11967E+01 RMS 8.47
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.90114E+01 AVE RMSD 7.45
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.12002E+01 RMS 7.40
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.93089E+01 AVE RMSD 9.16
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.12000E+01 RMS 9.51