Execution Time5.82s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-20 03:46:49
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f


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 -1064864096           1
 T -1064864096           4
 T -1064864096           6
 T -1064864096          19
 T -1064864096          23
 T -1064864096          24
 T -1064864096          29
 T -1064864096          33
 T -1064864096          34
 T -1064864096          37
 T -1064864096          38
 T -1064864096          39
 T -1064864096          44
 T -1064864096          55
 T -1064864096          74
 T -1064864096          77
 T -1064864096          84
 T -1064864096          85
 T -1064864096          86
 T -1064864096          87
 T -1064864096          90
 T -1064864096          98
 T -1064864096         102
 T -1064864096         104
 T -1064864096         109
 T -1064864096         115
 T -1064864096         126
 T -1064864096         127
 T -1064864096         131
 T -1064864096         132
 T -1064864096         136
 T -1064864096         140
 T -1064864096         149
 T -1064864096         158
 T -1064864096         160
 T -1064864096         168
 T -1064864096         172
 T -1064864096         175
 T -1064864096         177
 T -1064864096         180
 T -1064864096         182
 T -1064864096         185
 T -1064864096         195
 T -1064864096         197
 T -1064864096         198
 T -1064864096         200
 T -1064864096         204
 T -1064864096         209
 T -1064864096         210
 T -1064864096         213
 T -1064864096         214
 T -1064864096         216
 T -1064864096         217
 T -1064864096         221
 T -1064864096         224
 T -1064864096         234
 T -1064864096         235
 T -1064864096         239
 T -1064864096         251
 T -1064864096         253
 T -1064864096         255
 T -1064864096           2
 T -1064864096           3
 T -1064864096          11
 T -1064864096          13
 T -1064864096          15
 T -1064864096          16
 T -1064864096          17
 T -1064864096          25
 T -1064864096          30
 T -1064864096          42
 T -1064864096          62
 T -1064864096          63
 T -1064864096          65
 T -1064864096          73
 T -1064864096          75
 T -1064864096          80
 T -1064864096          93
 T -1064864096          96
 T -1064864096         119
 T -1064864096         120
 T -1064864096         123
 T -1064864096         128
 T -1064864096         129
 T -1064864096         130
 T -1064864096         133
 T -1064864096         135
 T -1064864096         137
 T -1064864096         138
 T -1064864096         143
 T -1064864096         151
 T -1064864096         154
 T -1064864096         155
 T -1064864096         156
 T -1064864096         157
 T -1064864096         159
 T -1064864096         162
 T -1064864096         163
 T -1064864096         164
 T -1064864096         167
 T -1064864096         169
 T -1064864096         181
 T -1064864096         183
 T -1064864096         184
 T -1064864096         188
 T -1064864096         190
 T -1064864096         191
 T -1064864096         196
 T -1064864096         199
 T -1064864096         201
 T -1064864096         202
 T -1064864096         205
 T -1064864096         207
 T -1064864096         211
 T -1064864096         215
 T -1064864096         220
 T -1064864096         222
 T -1064864096         223
 T -1064864096         225
 T -1064864096         230
 T -1064864096         236
 T -1064864096         238
 T -1064864096         240
 T -1064864096         241
 T -1064864096         242
 T -1064864096         246
 T -1064864096         249
 T -1064864096         256
 T -1064864096         258
 T -1064864096           7
 T -1064864096           8
 T -1064864096           9
 T -1064864096          18
 T -1064864096          20
 T -1064864096          22
 T -1064864096          27
 T -1064864096          41
 T -1064864096          45
 T -1064864096          49
 T -1064864096          50
 T -1064864096          52
 T -1064864096          57
 T -1064864096          58
 T -1064864096          59
 T -1064864096          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T -1064864096          67
 T -1064864096          69
 T -1064864096          91
 T -1064864096          94
 T -1064864096          95
 T -1064864096         101
 T -1064864096         103
 T -1064864096         107
 T -1064864096         110
 T -1064864096         113
 T -1064864096         114
 T -1064864096         118
 T -1064864096         122
 T -1064864096         142
 T -1064864096         147
 T -1064864096         150
 T -1064864096         152
 T -1064864096         153
 T -1064864096         161
 T -1064864096         166
 T -1064864096         171
 T -1064864096         173
 T -1064864096         174
 T -1064864096         194
 T -1064864096         212
 T -1064864096         218
 T -1064864096         227
 T -1064864096         228
 T -1064864096         233
 T -1064864096         252
 T -1064864096           5
 T -1064864096          12
 T -1064864096          28
 T -1064864096          35
 T -1064864096          36
 T -1064864096          47
 T -1064864096          51
 T -1064864096          56
 T -1064864096          61
 T -1064864096          64
 T -1064864096          66
 T -1064864096          68
 T -1064864096          72
 T -1064864096          76
 T -1064864096          78
 T -1064864096          79
 T -1064864096          81
 T -1064864096          83
 T -1064864096          89
 T -1064864096          92
 T -1064864096          97
 T -1064864096          99
 T -1064864096         105
 T -1064864096         106
 T -1064864096         108
 T -1064864096         111
 T -1064864096         112
 T -1064864096         116
 T -1064864096         117
 T -1064864096         121
 T -1064864096         124
 T -1064864096         125
 T -1064864096         134
 T -1064864096         144
 T -1064864096         145
 T -1064864096         146
 T -1064864096         170
 T -1064864096         176
 T -1064864096         178
 T -1064864096         179
 T -1064864096         186
 T -1064864096         187
 T -1064864096         189
 T -1064864096         192
 T -1064864096         203
 T -1064864096         206
 T -1064864096         229
 T -1064864096         232
 T -1064864096         237
 T -1064864096         243
 T -1064864096         244
 T -1064864096         245
 T -1064864096         248
 T -1064864096         257
 T -1064864096          10
 T -1064864096          14
 T -1064864096          21
 T -1064864096          26
 T -1064864096          31
 T -1064864096          32
 T -1064864096          40
 T -1064864096          43
 T -1064864096          46
 T -1064864096          48
 T -1064864096          53
 T -1064864096          54
 T -1064864096          70
 T -1064864096          71
 T -1064864096          82
 T -1064864096          88
 T -1064864096         100
 T -1064864096         139
 T -1064864096         141
 T -1064864096         148
 T -1064864096         165
 T -1064864096         193
 T -1064864096         208
 T -1064864096         219
 T -1064864096         226
 T -1064864096         231
 T -1064864096         247
 T -1064864096         250
 T -1064864096         254
THERE ARE    5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -5.27237E+02 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering           ENERGY    -5.25449E+02 RMS    0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -5.27201E+02 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering           ENERGY    -5.25448E+02 RMS    0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -5.27199E+02 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -5.27195E+02 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering           ENERGY    -5.25447E+02 RMS    0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -5.26973E+02 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00