Execution Time5.07s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-29 03:46:58
Repository revision: 79fd686e9d9aaa23e4fda802ee16379470e961d3


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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  -421830944           1
 T  -421830944           4
 T  -421830944           6
 T  -421830944          19
 T  -421830944          23
 T  -421830944          24
 T  -421830944          29
 T  -421830944          33
 T  -421830944          34
 T  -421830944          37
 T  -421830944          38
 T  -421830944          39
 T  -421830944          44
 T  -421830944          55
 T  -421830944          74
 T  -421830944          77
 T  -421830944          84
 T  -421830944          85
 T  -421830944          86
 T  -421830944          87
 T  -421830944          90
 T  -421830944          98
 T  -421830944         102
 T  -421830944         104
 T  -421830944         109
 T  -421830944         115
 T  -421830944         126
 T  -421830944         127
 T  -421830944         131
 T  -421830944         132
 T  -421830944         136
 T  -421830944         140
 T  -421830944         149
 T  -421830944         158
 T  -421830944         160
 T  -421830944         168
 T  -421830944         172
 T  -421830944         175
 T  -421830944         177
 T  -421830944         180
 T  -421830944         182
 T  -421830944         185
 T  -421830944         195
 T  -421830944         197
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 T  -421830944         200
 T  -421830944         204
 T  -421830944         209
 T  -421830944         210
 T  -421830944         213
 T  -421830944         214
 T  -421830944         216
 T  -421830944         217
 T  -421830944         221
 T  -421830944         224
 T  -421830944         234
 T  -421830944         235
 T  -421830944         239
 T  -421830944         251
 T  -421830944         253
 T  -421830944         255
 T  -421830944           2
 T  -421830944           3
 T  -421830944          11
 T  -421830944          13
 T  -421830944          15
 T  -421830944          16
 T  -421830944          17
 T  -421830944          25
 T  -421830944          30
 T  -421830944          42
 T  -421830944          62
 T  -421830944          63
 T  -421830944          65
 T  -421830944          73
 T  -421830944          75
 T  -421830944          80
 T  -421830944          93
 T  -421830944          96
 T  -421830944         119
 T  -421830944         120
 T  -421830944         123
 T  -421830944         128
 T  -421830944         129
 T  -421830944         130
 T  -421830944         133
 T  -421830944         135
 T  -421830944         137
 T  -421830944         138
 T  -421830944         143
 T  -421830944         151
 T  -421830944         154
 T  -421830944         155
 T  -421830944         156
 T  -421830944         157
 T  -421830944         159
 T  -421830944         162
 T  -421830944         163
 T  -421830944         164
 T  -421830944         167
 T  -421830944         169
 T  -421830944         181
 T  -421830944         183
 T  -421830944         184
 T  -421830944         188
 T  -421830944         190
 T  -421830944         191
 T  -421830944         196
 T  -421830944         199
 T  -421830944         201
 T  -421830944         202
 T  -421830944         205
 T  -421830944         207
 T  -421830944         211
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 T  -421830944         220
 T  -421830944         222
 T  -421830944         223
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 T  -421830944         230
 T  -421830944         236
 T  -421830944         238
 T  -421830944         240
 T  -421830944         241
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 T  -421830944         246
 T  -421830944         249
 T  -421830944         256
 T  -421830944         258
 T  -421830944           7
 T  -421830944           8
 T  -421830944           9
 T  -421830944          18
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 T  -421830944          22
 T  -421830944          27
 T  -421830944          41
 T  -421830944          45
 T  -421830944          49
 T  -421830944          50
 T  -421830944          52
 T  -421830944          57
 T  -421830944          58
 T  -421830944          59
 T  -421830944          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  -421830944          67
 T  -421830944          69
 T  -421830944          91
 T  -421830944          94
 T  -421830944          95
 T  -421830944         101
 T  -421830944         103
 T  -421830944         107
 T  -421830944         110
 T  -421830944         113
 T  -421830944         114
 T  -421830944         118
 T  -421830944         122
 T  -421830944         142
 T  -421830944         147
 T  -421830944         150
 T  -421830944         152
 T  -421830944         153
 T  -421830944         161
 T  -421830944         166
 T  -421830944         171
 T  -421830944         173
 T  -421830944         174
 T  -421830944         194
 T  -421830944         212
 T  -421830944         218
 T  -421830944         227
 T  -421830944         228
 T  -421830944         233
 T  -421830944         252
 T  -421830944           5
 T  -421830944          12
 T  -421830944          28
 T  -421830944          35
 T  -421830944          36
 T  -421830944          47
 T  -421830944          51
 T  -421830944          56
 T  -421830944          61
 T  -421830944          64
 T  -421830944          66
 T  -421830944          68
 T  -421830944          72
 T  -421830944          76
 T  -421830944          78
 T  -421830944          79
 T  -421830944          81
 T  -421830944          83
 T  -421830944          89
 T  -421830944          92
 T  -421830944          97
 T  -421830944          99
 T  -421830944         105
 T  -421830944         106
 T  -421830944         108
 T  -421830944         111
 T  -421830944         112
 T  -421830944         116
 T  -421830944         117
 T  -421830944         121
 T  -421830944         124
 T  -421830944         125
 T  -421830944         134
 T  -421830944         144
 T  -421830944         145
 T  -421830944         146
 T  -421830944         170
 T  -421830944         176
 T  -421830944         178
 T  -421830944         179
 T  -421830944         186
 T  -421830944         187
 T  -421830944         189
 T  -421830944         192
 T  -421830944         203
 T  -421830944         206
 T  -421830944         229
 T  -421830944         232
 T  -421830944         237
 T  -421830944         243
 T  -421830944         244
 T  -421830944         245
 T  -421830944         248
 T  -421830944         257
 T  -421830944          10
 T  -421830944          14
 T  -421830944          21
 T  -421830944          26
 T  -421830944          31
 T  -421830944          32
 T  -421830944          40
 T  -421830944          43
 T  -421830944          46
 T  -421830944          48
 T  -421830944          53
 T  -421830944          54
 T  -421830944          70
 T  -421830944          71
 T  -421830944          82
 T  -421830944          88
 T  -421830944         100
 T  -421830944         139
 T  -421830944         141
 T  -421830944         148
 T  -421830944         165
 T  -421830944         193
 T  -421830944         208
 T  -421830944         219
 T  -421830944         226
 T  -421830944         231
 T  -421830944         247
 T  -421830944         250
 T  -421830944         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