Execution Time5.48s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-06-10 03:46:47
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9


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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  1726731648           1
 T  1726731648           4
 T  1726731648           6
 T  1726731648          19
 T  1726731648          23
 T  1726731648          24
 T  1726731648          29
 T  1726731648          33
 T  1726731648          34
 T  1726731648          37
 T  1726731648          38
 T  1726731648          39
 T  1726731648          44
 T  1726731648          55
 T  1726731648          74
 T  1726731648          77
 T  1726731648          84
 T  1726731648          85
 T  1726731648          86
 T  1726731648          87
 T  1726731648          90
 T  1726731648          98
 T  1726731648         102
 T  1726731648         104
 T  1726731648         109
 T  1726731648         115
 T  1726731648         126
 T  1726731648         127
 T  1726731648         131
 T  1726731648         132
 T  1726731648         136
 T  1726731648         140
 T  1726731648         149
 T  1726731648         158
 T  1726731648         160
 T  1726731648         168
 T  1726731648         172
 T  1726731648         175
 T  1726731648         177
 T  1726731648         180
 T  1726731648         182
 T  1726731648         185
 T  1726731648         195
 T  1726731648         197
 T  1726731648         198
 T  1726731648         200
 T  1726731648         204
 T  1726731648         209
 T  1726731648         210
 T  1726731648         213
 T  1726731648         214
 T  1726731648         216
 T  1726731648         217
 T  1726731648         221
 T  1726731648         224
 T  1726731648         234
 T  1726731648         235
 T  1726731648         239
 T  1726731648         251
 T  1726731648         253
 T  1726731648         255
 T  1726731648           2
 T  1726731648           3
 T  1726731648          11
 T  1726731648          13
 T  1726731648          15
 T  1726731648          16
 T  1726731648          17
 T  1726731648          25
 T  1726731648          30
 T  1726731648          42
 T  1726731648          62
 T  1726731648          63
 T  1726731648          65
 T  1726731648          73
 T  1726731648          75
 T  1726731648          80
 T  1726731648          93
 T  1726731648          96
 T  1726731648         119
 T  1726731648         120
 T  1726731648         123
 T  1726731648         128
 T  1726731648         129
 T  1726731648         130
 T  1726731648         133
 T  1726731648         135
 T  1726731648         137
 T  1726731648         138
 T  1726731648         143
 T  1726731648         151
 T  1726731648         154
 T  1726731648         155
 T  1726731648         156
 T  1726731648         157
 T  1726731648         159
 T  1726731648         162
 T  1726731648         163
 T  1726731648         164
 T  1726731648         167
 T  1726731648         169
 T  1726731648         181
 T  1726731648         183
 T  1726731648         184
 T  1726731648         188
 T  1726731648         190
 T  1726731648         191
 T  1726731648         196
 T  1726731648         199
 T  1726731648         201
 T  1726731648         202
 T  1726731648         205
 T  1726731648         207
 T  1726731648         211
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 T  1726731648         220
 T  1726731648         222
 T  1726731648         223
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 T  1726731648         230
 T  1726731648         236
 T  1726731648         238
 T  1726731648         240
 T  1726731648         241
 T  1726731648         242
 T  1726731648         246
 T  1726731648         249
 T  1726731648         256
 T  1726731648         258
 T  1726731648           7
 T  1726731648           8
 T  1726731648           9
 T  1726731648          18
 T  1726731648          20
 T  1726731648          22
 T  1726731648          27
 T  1726731648          41
 T  1726731648          45
 T  1726731648          49
 T  1726731648          50
 T  1726731648          52
 T  1726731648          57
 T  1726731648          58
 T  1726731648          59
 T  1726731648          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  1726731648          67
 T  1726731648          69
 T  1726731648          91
 T  1726731648          94
 T  1726731648          95
 T  1726731648         101
 T  1726731648         103
 T  1726731648         107
 T  1726731648         110
 T  1726731648         113
 T  1726731648         114
 T  1726731648         118
 T  1726731648         122
 T  1726731648         142
 T  1726731648         147
 T  1726731648         150
 T  1726731648         152
 T  1726731648         153
 T  1726731648         161
 T  1726731648         166
 T  1726731648         171
 T  1726731648         173
 T  1726731648         174
 T  1726731648         194
 T  1726731648         212
 T  1726731648         218
 T  1726731648         227
 T  1726731648         228
 T  1726731648         233
 T  1726731648         252
 T  1726731648           5
 T  1726731648          12
 T  1726731648          28
 T  1726731648          35
 T  1726731648          36
 T  1726731648          47
 T  1726731648          51
 T  1726731648          56
 T  1726731648          61
 T  1726731648          64
 T  1726731648          66
 T  1726731648          68
 T  1726731648          72
 T  1726731648          76
 T  1726731648          78
 T  1726731648          79
 T  1726731648          81
 T  1726731648          83
 T  1726731648          89
 T  1726731648          92
 T  1726731648          97
 T  1726731648          99
 T  1726731648         105
 T  1726731648         106
 T  1726731648         108
 T  1726731648         111
 T  1726731648         112
 T  1726731648         116
 T  1726731648         117
 T  1726731648         121
 T  1726731648         124
 T  1726731648         125
 T  1726731648         134
 T  1726731648         144
 T  1726731648         145
 T  1726731648         146
 T  1726731648         170
 T  1726731648         176
 T  1726731648         178
 T  1726731648         179
 T  1726731648         186
 T  1726731648         187
 T  1726731648         189
 T  1726731648         192
 T  1726731648         203
 T  1726731648         206
 T  1726731648         229
 T  1726731648         232
 T  1726731648         237
 T  1726731648         243
 T  1726731648         244
 T  1726731648         245
 T  1726731648         248
 T  1726731648         257
 T  1726731648          10
 T  1726731648          14
 T  1726731648          21
 T  1726731648          26
 T  1726731648          31
 T  1726731648          32
 T  1726731648          40
 T  1726731648          43
 T  1726731648          46
 T  1726731648          48
 T  1726731648          53
 T  1726731648          54
 T  1726731648          70
 T  1726731648          71
 T  1726731648          82
 T  1726731648          88
 T  1726731648         100
 T  1726731648         139
 T  1726731648         141
 T  1726731648         148
 T  1726731648         165
 T  1726731648         193
 T  1726731648         208
 T  1726731648         219
 T  1726731648         226
 T  1726731648         231
 T  1726731648         247
 T  1726731648         250
 T  1726731648         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