Execution Time4.84s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA E0LL2Y (dell15) on 2020-03-30 04:12:34
Repository revision: b3efc8d5acc9051f49c246721f0d1f78dde46d01


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 T -1441959200           1
 T -1441959200           2
 T -1441959200           4
 T -1441959200           5
 T -1441959200           7
 T -1441959200           9
 T -1441959200          10
 T -1441959200          11
 T -1441959200          12
 T -1441959200          16
 T -1441959200          17
 T -1441959200          18
 T -1441959200          19
 T -1441959200          21
 T -1441959200          22
 T -1441959200          23
 T -1441959200          24
 T -1441959200          25
 T -1441959200          26
 T -1441959200          27
 T -1441959200          32
 T -1441959200          33
 T -1441959200          35
 T -1441959200          37
 T -1441959200          38
 T -1441959200          39
 T -1441959200          42
 T -1441959200          43
 T -1441959200          50
 T -1441959200          55
 T -1441959200          57
 T -1441959200          58
 T -1441959200          60
 T -1441959200          62
 T -1441959200          63
 T -1441959200          67
 T -1441959200          70
 T -1441959200          72
 T -1441959200          74
 T -1441959200          79
 T -1441959200          80
 T -1441959200          82
 T -1441959200          86
 T -1441959200          92
 T -1441959200          93
 T -1441959200          95
 T -1441959200          97
 T -1441959200          98
 T -1441959200         103
 T -1441959200         104
 T -1441959200         107
 T -1441959200         108
 T -1441959200         110
 T -1441959200         111
 T -1441959200         112
 T -1441959200         113
 T -1441959200         114
 T -1441959200         118
 T -1441959200         120
 T -1441959200         121
 T -1441959200         122
 T -1441959200         124
 T -1441959200         125
 T -1441959200         129
 T -1441959200         130
 T -1441959200         133
 T -1441959200         139
 T -1441959200         141
 T -1441959200         145
 T -1441959200         152
 T -1441959200         156
 T -1441959200         157
 T -1441959200         158
 T -1441959200         164
 T -1441959200           3
 T -1441959200           6
 T -1441959200           8
 T -1441959200          13
 T -1441959200          15
 T -1441959200          28
 T -1441959200          30
 T -1441959200          31
 T -1441959200          36
 T -1441959200          40
 T -1441959200          41
 T -1441959200          45
 T -1441959200          48
 T -1441959200          51
 T -1441959200          52
 T -1441959200          53
 T -1441959200          54
 T -1441959200          56
 T -1441959200          59
 T -1441959200          64
 T -1441959200          65
 T -1441959200          69
 T -1441959200          71
 T -1441959200          75
 T -1441959200          76
 T -1441959200          77
 T -1441959200          83
 T -1441959200          88
 T -1441959200         100
 T -1441959200         105
 T -1441959200         109
 T -1441959200         116
 T -1441959200         134
 T -1441959200         148
 T -1441959200         150
 T -1441959200         160
 T -1441959200          44
 T -1441959200          46
 T -1441959200          47
 T -1441959200          81
 T -1441959200          84
 T -1441959200          89
 T -1441959200          91
 T -1441959200          94
 T -1441959200          99
 T -1441959200         102
 T -1441959200         115
 T -1441959200         117
 T -1441959200         119
 T -1441959200         126
 T -1441959200         127
 T -1441959200         128
 T -1441959200         131
 T -1441959200         132
 T -1441959200         137
 T -1441959200         138
 T -1441959200         140
 T -1441959200         142
 T -1441959200         143
 T -1441959200         144
 T -1441959200         146
 T -1441959200         147
 T -1441959200         149
 T -1441959200         151
 T -1441959200         153
 T -1441959200         154
 T -1441959200         155
 T -1441959200         159
 T -1441959200         163
 T -1441959200         165
 T -1441959200         166
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T -1441959200         167
 T -1441959200          14
 T -1441959200          20
 T -1441959200          29
 T -1441959200          49
 T -1441959200          66
 T -1441959200          68
 T -1441959200          78
 T -1441959200          85
 T -1441959200          87
 T -1441959200          90
 T -1441959200          96
 T -1441959200         106
 T -1441959200         123
 T -1441959200         135
 T -1441959200         136
 T -1441959200         161
 T -1441959200          34
 T -1441959200          61
 T -1441959200          73
 T -1441959200         101
 T -1441959200         162
THERE ARE    5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -8.98593E+02 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering           ENERGY    -8.96420E+02 RMS    0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -8.98250E+02 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering           ENERGY    -8.96419E+02 RMS    0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -8.97790E+02 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering           ENERGY    -8.96369E+02 RMS    0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -8.97700E+02 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering           ENERGY    -8.96415E+02 RMS    0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -8.97050E+02 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering           ENERGY    -8.96388E+02 RMS    0.00