Execution Time9.37s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-04-30 03:48:25
Repository revision: c8f1285550b0dbec11ec40fe6caab6f400bf21d2


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

Test output
CTEST_FULL_OUTPUT
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 T   309252544           1
 T   309252544           4
 T   309252544           6
 T   309252544          19
 T   309252544          23
 T   309252544          24
 T   309252544          29
 T   309252544          33
 T   309252544          34
 T   309252544          37
 T   309252544          38
 T   309252544          39
 T   309252544          44
 T   309252544          55
 T   309252544          74
 T   309252544          77
 T   309252544          84
 T   309252544          85
 T   309252544          86
 T   309252544          87
 T   309252544          90
 T   309252544          98
 T   309252544         102
 T   309252544         104
 T   309252544         109
 T   309252544         115
 T   309252544         126
 T   309252544         127
 T   309252544         131
 T   309252544         132
 T   309252544         136
 T   309252544         140
 T   309252544         149
 T   309252544         158
 T   309252544         160
 T   309252544         168
 T   309252544         172
 T   309252544         175
 T   309252544         177
 T   309252544         180
 T   309252544         182
 T   309252544         185
 T   309252544         195
 T   309252544         197
 T   309252544         198
 T   309252544         200
 T   309252544         204
 T   309252544         209
 T   309252544         210
 T   309252544         213
 T   309252544         214
 T   309252544         216
 T   309252544         217
 T   309252544         221
 T   309252544         224
 T   309252544         234
 T   309252544         235
 T   309252544         239
 T   309252544         251
 T   309252544         253
 T   309252544         255
 T   309252544           2
 T   309252544           3
 T   309252544          11
 T   309252544          13
 T   309252544          15
 T   309252544          16
 T   309252544          17
 T   309252544          25
 T   309252544          30
 T   309252544          42
 T   309252544          62
 T   309252544          63
 T   309252544          65
 T   309252544          73
 T   309252544          75
 T   309252544          80
 T   309252544          93
 T   309252544          96
 T   309252544         119
 T   309252544         120
 T   309252544         123
 T   309252544         128
 T   309252544         129
 T   309252544         130
 T   309252544         133
 T   309252544         135
 T   309252544         137
 T   309252544         138
 T   309252544         143
 T   309252544         151
 T   309252544         154
 T   309252544         155
 T   309252544         156
 T   309252544         157
 T   309252544         159
 T   309252544         162
 T   309252544         163
 T   309252544         164
 T   309252544         167
 T   309252544         169
 T   309252544         181
 T   309252544         183
 T   309252544         184
 T   309252544         188
 T   309252544         190
 T   309252544         191
 T   309252544         196
 T   309252544         199
 T   309252544         201
 T   309252544         202
 T   309252544         205
 T   309252544         207
 T   309252544         211
 T   309252544         215
 T   309252544         220
 T   309252544         222
 T   309252544         223
 T   309252544         225
 T   309252544         230
 T   309252544         236
 T   309252544         238
 T   309252544         240
 T   309252544         241
 T   309252544         242
 T   309252544         246
 T   309252544         249
 T   309252544         256
 T   309252544         258
 T   309252544           7
 T   309252544           8
 T   309252544           9
 T   309252544          18
 T   309252544          20
 T   309252544          22
 T   309252544          27
 T   309252544          41
 T   309252544          45
 T   309252544          49
 T   309252544          50
 T   309252544          52
 T   309252544          57
 T   309252544          58
 T   309252544          59
 T   309252544          60
 T   309252544          67
 T   309252544          69
 T   309252544          91
STOP STOP ********** Program terminated normally.********** Program terminated normally.

 T   309252544          94
 T   309252544          95
 T   309252544         101
 T   309252544         103
 T   309252544         107
 T   309252544         110
 T   309252544         113
 T   309252544         114
 T   309252544         118
 T   309252544         122
 T   309252544         142
 T   309252544         147
 T   309252544         150
 T   309252544         152
 T   309252544         153
 T   309252544         161
 T   309252544         166
 T   309252544         171
 T   309252544         173
 T   309252544         174
 T   309252544         194
 T   309252544         212
 T   309252544         218
 T   309252544         227
 T   309252544         228
 T   309252544         233
 T   309252544         252
 T   309252544           5
 T   309252544          12
 T   309252544          28
 T   309252544          35
 T   309252544          36
 T   309252544          47
 T   309252544          51
 T   309252544          56
 T   309252544          61
 T   309252544          64
 T   309252544          66
 T   309252544          68
 T   309252544          72
 T   309252544          76
 T   309252544          78
 T   309252544          79
 T   309252544          81
 T   309252544          83
 T   309252544          89
 T   309252544          92
 T   309252544          97
 T   309252544          99
 T   309252544         105
 T   309252544         106
 T   309252544         108
 T   309252544         111
 T   309252544         112
 T   309252544         116
 T   309252544         117
 T   309252544         121
 T   309252544         124
 T   309252544         125
 T   309252544         134
 T   309252544         144
 T   309252544         145
 T   309252544         146
 T   309252544         170
 T   309252544         176
 T   309252544         178
 T   309252544         179
 T   309252544         186
 T   309252544         187
 T   309252544         189
 T   309252544         192
 T   309252544         203
 T   309252544         206
 T   309252544         229
 T   309252544         232
 T   309252544         237
 T   309252544         243
 T   309252544         244
 T   309252544         245
 T   309252544         248
 T   309252544         257
 T   309252544          10
 T   309252544          14
 T   309252544          21
 T   309252544          26
 T   309252544          31
 T   309252544          32
 T   309252544          40
 T   309252544          43
 T   309252544          46
 T   309252544          48
 T   309252544          53
 T   309252544          54
 T   309252544          70
 T   309252544          71
 T   309252544          82
 T   309252544          88
 T   309252544         100
 T   309252544         139
 T   309252544         141
 T   309252544         148
 T   309252544         165
 T   309252544         193
 T   309252544         208
 T   309252544         219
 T   309252544         226
 T   309252544         231
 T   309252544         247
 T   309252544         250
 T   309252544         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