Execution Time8.15s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-04-24 03:47:56
Repository revision: c8f1285550b0dbec11ec40fe6caab6f400bf21d2


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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 -1222455440           1
 T -1222455440           4
 T -1222455440           6
 T -1222455440          19
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 T -1222455440          55
 T -1222455440          74
 T -1222455440          77
 T -1222455440          84
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 T -1222455440         255
 T -1222455440           2
 T -1222455440           3
 T -1222455440          11
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 T -1222455440          15
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 T -1222455440          17
 T -1222455440          25
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 T -1222455440          73
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 T -1222455440          93
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 T -1222455440         119
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 T -1222455440         123
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 T -1222455440         258
 T -1222455440           7
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 T -1222455440           9
 T -1222455440          18
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 T -1222455440          41
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 T -1222455440          57
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 T -1222455440          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T -1222455440          67
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 T -1222455440           5
 T -1222455440          12
 T -1222455440          28
 T -1222455440          35
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 T -1222455440          47
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 T -1222455440          72
 T -1222455440          76
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 T -1222455440          79
 T -1222455440          81
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 T -1222455440          89
 T -1222455440          92
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 T -1222455440         105
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 T -1222455440         170
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 T -1222455440         257
 T -1222455440          10
 T -1222455440          14
 T -1222455440          21
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 T -1222455440          40
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 T -1222455440          53
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 T -1222455440          70
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 T -1222455440          82
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 T -1222455440         247
 T -1222455440         250
 T -1222455440         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