0.45s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(m10)
on 2024-02-18 03:27:09
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/bin/sh "/tmp/cdash/homology/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
indpdb= 0 pdbref= F
49
10 6 6 16 12 1 1 18 14 12 1 12 3 12 11 5 18 9 8 1
16 12 25 25 14 12 5 18 9 1 10 20 9 5 2 16 2 5 18 6
9 1 20 14 10 3 14 12 25
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 49
indpdb= 0 pdbref= F
49
10 6 6 16 12 1 1 18 14 12 1 12 3 12 11 5 18 9 8 1
16 12 25 25 14 12 5 18 9 1 10 20 9 5 2 16 2 5 18 6
9 1 20 14 10 3 14 12 25
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 49
MAIN: nnt= 1 nct= 48
MAIN: nnt= 1 nct= 48
Calculating RMS i= 100
Calculating RMS i= 100
End of distance computation
End of distance computation
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 3.13886E-01 AVE RMSD10.25
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50008E+00 RMS 9.99
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.17580E-01 AVE RMSD 7.67
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50180E+00 RMS 7.94
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 1.20690E+00 AVE RMSD 8.09
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50868E+00 RMS 8.18
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.50355E+00 AVE RMSD 6.48
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.60942E+00 RMS 7.23
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 2.55608E+00 AVE RMSD 9.29
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.77069E+00 RMS 8.94