Execution Time5.07s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-22 03:46:56
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  1247246288           1
 T  1247246288           4
 T  1247246288           6
 T  1247246288          19
 T  1247246288          23
 T  1247246288          24
 T  1247246288          29
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 T  1247246288          74
 T  1247246288          77
 T  1247246288          84
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 T  1247246288          86
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 T  1247246288          90
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 T  1247246288         136
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 T  1247246288         195
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 T  1247246288         239
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 T  1247246288         255
 T  1247246288           2
 T  1247246288           3
 T  1247246288          11
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 T  1247246288          15
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 T  1247246288          17
 T  1247246288          25
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 T  1247246288          62
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 T  1247246288          73
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 T  1247246288          80
 T  1247246288          93
 T  1247246288          96
 T  1247246288         119
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 T  1247246288         123
 T  1247246288         128
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 T  1247246288         246
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 T  1247246288         258
 T  1247246288           7
 T  1247246288           8
 T  1247246288           9
 T  1247246288          18
 T  1247246288          20
 T  1247246288          22
 T  1247246288          27
 T  1247246288          41
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 T  1247246288          57
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 T  1247246288          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  1247246288          67
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 T  1247246288         101
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 T  1247246288         174
 T  1247246288         194
 T  1247246288         212
 T  1247246288         218
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 T  1247246288         233
 T  1247246288         252
 T  1247246288           5
 T  1247246288          12
 T  1247246288          28
 T  1247246288          35
 T  1247246288          36
 T  1247246288          47
 T  1247246288          51
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 T  1247246288          61
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 T  1247246288          66
 T  1247246288          68
 T  1247246288          72
 T  1247246288          76
 T  1247246288          78
 T  1247246288          79
 T  1247246288          81
 T  1247246288          83
 T  1247246288          89
 T  1247246288          92
 T  1247246288          97
 T  1247246288          99
 T  1247246288         105
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 T  1247246288         170
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 T  1247246288         186
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 T  1247246288         257
 T  1247246288          10
 T  1247246288          14
 T  1247246288          21
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 T  1247246288          31
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 T  1247246288          40
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 T  1247246288          48
 T  1247246288          53
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 T  1247246288          70
 T  1247246288          71
 T  1247246288          82
 T  1247246288          88
 T  1247246288         100
 T  1247246288         139
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 T  1247246288         148
 T  1247246288         165
 T  1247246288         193
 T  1247246288         208
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 T  1247246288         231
 T  1247246288         247
 T  1247246288         250
 T  1247246288         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