Execution Time5.40s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-19 03:47:01
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f


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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   643563808           1
 T   643563808           4
 T   643563808           6
 T   643563808          19
 T   643563808          23
 T   643563808          24
 T   643563808          29
 T   643563808          33
 T   643563808          34
 T   643563808          37
 T   643563808          38
 T   643563808          39
 T   643563808          44
 T   643563808          55
 T   643563808          74
 T   643563808          77
 T   643563808          84
 T   643563808          85
 T   643563808          86
 T   643563808          87
 T   643563808          90
 T   643563808          98
 T   643563808         102
 T   643563808         104
 T   643563808         109
 T   643563808         115
 T   643563808         126
 T   643563808         127
 T   643563808         131
 T   643563808         132
 T   643563808         136
 T   643563808         140
 T   643563808         149
 T   643563808         158
 T   643563808         160
 T   643563808         168
 T   643563808         172
 T   643563808         175
 T   643563808         177
 T   643563808         180
 T   643563808         182
 T   643563808         185
 T   643563808         195
 T   643563808         197
 T   643563808         198
 T   643563808         200
 T   643563808         204
 T   643563808         209
 T   643563808         210
 T   643563808         213
 T   643563808         214
 T   643563808         216
 T   643563808         217
 T   643563808         221
 T   643563808         224
 T   643563808         234
 T   643563808         235
 T   643563808         239
 T   643563808         251
 T   643563808         253
 T   643563808         255
 T   643563808           2
 T   643563808           3
 T   643563808          11
 T   643563808          13
 T   643563808          15
 T   643563808          16
 T   643563808          17
 T   643563808          25
 T   643563808          30
 T   643563808          42
 T   643563808          62
 T   643563808          63
 T   643563808          65
 T   643563808          73
 T   643563808          75
 T   643563808          80
 T   643563808          93
 T   643563808          96
 T   643563808         119
 T   643563808         120
 T   643563808         123
 T   643563808         128
 T   643563808         129
 T   643563808         130
 T   643563808         133
 T   643563808         135
 T   643563808         137
 T   643563808         138
 T   643563808         143
 T   643563808         151
 T   643563808         154
 T   643563808         155
 T   643563808         156
 T   643563808         157
 T   643563808         159
 T   643563808         162
 T   643563808         163
 T   643563808         164
 T   643563808         167
 T   643563808         169
 T   643563808         181
 T   643563808         183
 T   643563808         184
 T   643563808         188
 T   643563808         190
 T   643563808         191
 T   643563808         196
 T   643563808         199
 T   643563808         201
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 T   643563808         205
 T   643563808         207
 T   643563808         211
 T   643563808         215
 T   643563808         220
 T   643563808         222
 T   643563808         223
 T   643563808         225
 T   643563808         230
 T   643563808         236
 T   643563808         238
 T   643563808         240
 T   643563808         241
 T   643563808         242
 T   643563808         246
 T   643563808         249
 T   643563808         256
 T   643563808         258
 T   643563808           7
 T   643563808           8
 T   643563808           9
 T   643563808          18
 T   643563808          20
 T   643563808          22
 T   643563808          27
 T   643563808          41
 T   643563808          45
 T   643563808          49
 T   643563808          50
 T   643563808          52
 T   643563808          57
 T   643563808          58
 T   643563808          59
 T   643563808          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T   643563808          67
 T   643563808          69
 T   643563808          91
 T   643563808          94
 T   643563808          95
 T   643563808         101
 T   643563808         103
 T   643563808         107
 T   643563808         110
 T   643563808         113
 T   643563808         114
 T   643563808         118
 T   643563808         122
 T   643563808         142
 T   643563808         147
 T   643563808         150
 T   643563808         152
 T   643563808         153
 T   643563808         161
 T   643563808         166
 T   643563808         171
 T   643563808         173
 T   643563808         174
 T   643563808         194
 T   643563808         212
 T   643563808         218
 T   643563808         227
 T   643563808         228
 T   643563808         233
 T   643563808         252
 T   643563808           5
 T   643563808          12
 T   643563808          28
 T   643563808          35
 T   643563808          36
 T   643563808          47
 T   643563808          51
 T   643563808          56
 T   643563808          61
 T   643563808          64
 T   643563808          66
 T   643563808          68
 T   643563808          72
 T   643563808          76
 T   643563808          78
 T   643563808          79
 T   643563808          81
 T   643563808          83
 T   643563808          89
 T   643563808          92
 T   643563808          97
 T   643563808          99
 T   643563808         105
 T   643563808         106
 T   643563808         108
 T   643563808         111
 T   643563808         112
 T   643563808         116
 T   643563808         117
 T   643563808         121
 T   643563808         124
 T   643563808         125
 T   643563808         134
 T   643563808         144
 T   643563808         145
 T   643563808         146
 T   643563808         170
 T   643563808         176
 T   643563808         178
 T   643563808         179
 T   643563808         186
 T   643563808         187
 T   643563808         189
 T   643563808         192
 T   643563808         203
 T   643563808         206
 T   643563808         229
 T   643563808         232
 T   643563808         237
 T   643563808         243
 T   643563808         244
 T   643563808         245
 T   643563808         248
 T   643563808         257
 T   643563808          10
 T   643563808          14
 T   643563808          21
 T   643563808          26
 T   643563808          31
 T   643563808          32
 T   643563808          40
 T   643563808          43
 T   643563808          46
 T   643563808          48
 T   643563808          53
 T   643563808          54
 T   643563808          70
 T   643563808          71
 T   643563808          82
 T   643563808          88
 T   643563808         100
 T   643563808         139
 T   643563808         141
 T   643563808         148
 T   643563808         165
 T   643563808         193
 T   643563808         208
 T   643563808         219
 T   643563808         226
 T   643563808         231
 T   643563808         247
 T   643563808         250
 T   643563808         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