3.13s
Test: CLUSTER_WHAM_remd_dfa
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-04-06 05:06:37
Repository revision: 7c5373260289072f6022e1d937ab775fc820e6a2
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/cluster/wham/src-HCD-5D/dfa/cluster_wham_mpi_E0LL2Y.sh" "dfa_clust" "dfa_wham" "dfa_clust" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 164773054 arg vs 152 in file********** Program terminated normally.
********** Program terminated normally.
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
read_dfa_info finished!
THERE ARE 5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.19185E+02 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -5.17115E+02 RMS 0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -5.18983E+02 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -5.17064E+02 RMS 0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -5.18773E+02 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -5.17019E+02 RMS 0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -5.17998E+02 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -5.17013E+02 RMS 0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -5.16436E+02 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -5.16021E+02 RMS 0.00