Execution Time7.86s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-04-28 03:47:53
Repository revision: c8f1285550b0dbec11ec40fe6caab6f400bf21d2


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Test output
CTEST_FULL_OUTPUT
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 T  1310468720           1
 T  1310468720           4
 T  1310468720           6
 T  1310468720          19
 T  1310468720          23
 T  1310468720          24
 T  1310468720          29
 T  1310468720          33
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 T  1310468720          74
 T  1310468720          77
 T  1310468720          84
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 T  1310468720          86
 T  1310468720          87
 T  1310468720          90
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 T  1310468720         136
 T  1310468720         140
 T  1310468720         149
 T  1310468720         158
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 T  1310468720         168
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 T  1310468720         180
 T  1310468720         182
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 T  1310468720         195
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 T  1310468720         234
 T  1310468720         235
 T  1310468720         239
 T  1310468720         251
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 T  1310468720         255
 T  1310468720           2
 T  1310468720           3
 T  1310468720          11
 T  1310468720          13
 T  1310468720          15
 T  1310468720          16
 T  1310468720          17
 T  1310468720          25
 T  1310468720          30
 T  1310468720          42
 T  1310468720          62
 T  1310468720          63
 T  1310468720          65
 T  1310468720          73
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 T  1310468720          80
 T  1310468720          93
 T  1310468720          96
 T  1310468720         119
 T  1310468720         120
 T  1310468720         123
 T  1310468720         128
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 T  1310468720         143
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 T  1310468720         181
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 T  1310468720         240
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 T  1310468720         246
 T  1310468720         249
 T  1310468720         256
 T  1310468720         258
 T  1310468720           7
 T  1310468720           8
 T  1310468720           9
 T  1310468720          18
 T  1310468720          20
 T  1310468720          22
 T  1310468720          27
 T  1310468720          41
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 T  1310468720          57
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 T  1310468720          59
 T  1310468720          60
 T  1310468720          67
 T  1310468720          69
 T  1310468720          91
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  1310468720          94
 T  1310468720          95
 T  1310468720         101
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 T  1310468720         107
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 T  1310468720         118
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 T  1310468720         142
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 T  1310468720         161
 T  1310468720         166
 T  1310468720         171
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 T  1310468720         174
 T  1310468720         194
 T  1310468720         212
 T  1310468720         218
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 T  1310468720         228
 T  1310468720         233
 T  1310468720         252
 T  1310468720           5
 T  1310468720          12
 T  1310468720          28
 T  1310468720          35
 T  1310468720          36
 T  1310468720          47
 T  1310468720          51
 T  1310468720          56
 T  1310468720          61
 T  1310468720          64
 T  1310468720          66
 T  1310468720          68
 T  1310468720          72
 T  1310468720          76
 T  1310468720          78
 T  1310468720          79
 T  1310468720          81
 T  1310468720          83
 T  1310468720          89
 T  1310468720          92
 T  1310468720          97
 T  1310468720          99
 T  1310468720         105
 T  1310468720         106
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 T  1310468720         111
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 T  1310468720         116
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 T  1310468720         134
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 T  1310468720         170
 T  1310468720         176
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 T  1310468720         186
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 T  1310468720         203
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 T  1310468720         245
 T  1310468720         248
 T  1310468720         257
 T  1310468720          10
 T  1310468720          14
 T  1310468720          21
 T  1310468720          26
 T  1310468720          31
 T  1310468720          32
 T  1310468720          40
 T  1310468720          43
 T  1310468720          46
 T  1310468720          48
 T  1310468720          53
 T  1310468720          54
 T  1310468720          70
 T  1310468720          71
 T  1310468720          82
 T  1310468720          88
 T  1310468720         100
 T  1310468720         139
 T  1310468720         141
 T  1310468720         148
 T  1310468720         165
 T  1310468720         193
 T  1310468720         208
 T  1310468720         219
 T  1310468720         226
 T  1310468720         231
 T  1310468720         247
 T  1310468720         250
 T  1310468720         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