0.30s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(m10)
on 2024-05-06 03:28:05
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 1.38142E-01 AVE RMSD10.19
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.42238E+00 RMS 10.31
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 1.50032E+00 AVE RMSD10.94
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.42846E+00 RMS 11.13
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 1.62930E+00 AVE RMSD 8.44
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.62610E+00 RMS 8.14
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.65912E+00 AVE RMSD 9.54
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.65962E+00 RMS 9.88
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.81373E+00 AVE RMSD 9.86
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.55235E+00 RMS 9.67
