Execution Time69.00s

Test: UNRES_remd_dfa (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (m10) on 2024-11-03 03:27:07

Histograms remd_dfaFile /tmp/cdash/homology/build/source/unres/src_MD/dfa/1L2Y_remd_ene_hist.png not found
Energy remd_dfaFile /tmp/cdash/homology/build/source/unres/src_MD/dfa/1L2Y_remd_Tene.png not found
Processors[Graph]1

Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
 nodes           8  rank           0
 Processor           0  out of           8  rank in CG_COMM           0  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           3
 Processor           3  out of           8  rank in CG_COMM           3  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           5
 Processor           5  out of           8  rank in CG_COMM           5  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           6
 Processor           6  out of           8  rank in CG_COMM           6  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           4
 Processor           4  out of           8  rank in CG_COMM           4  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           1
 Processor           1  out of           8  rank in CG_COMM           1  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           8  rank           2
 nodes           8  rank           7
 Processor           2  out of           8  rank in CG_COMM           2  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
 Processor           7  out of           8  rank in CG_COMM           7  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initializeInside initialize MPI: node=            3  iseed=             -12238971
 indpdb=          45  pdbref= T
 MPI: node=            5  iseed=             -18358457
 MPI: node=            0  iseed=              -3059742
 MPI: node=            6  iseed=             -21418200
 Call Read_Bridge.
 ns=           0
 indpdb=          45  pdbref= T
 MPI: node=            4  iseed=             -15298714
 indpdb=          45  pdbref= T
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 MPI: node=            1  iseed=              -6119485
 MPI: node=            2  iseed=              -9179228
 MPI: node=            7  iseed=             -24477943
 indpdb=          45  pdbref= T
 indpdb=          45  pdbref= T
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 Processor           3           0           0  ivec_start           1  ivec_end          76
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 Processor           5           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           6           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           0           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           4           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finNote: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
ished!
 Processor           1           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           2           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           7           0           0  ivec_start           1  ivec_end          76
 Processor           3           0           0  ivec_start           1  ivec_end          76
 Processor           5           0           0  ivec_start           1  ivec_end          76
 Processor           6           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           4           0           0  ivec_start           1  ivec_end          76
 Processor           3  rest F                            restart1fie T
 Processor           5  rest F                            restart1fie T
 Processor           6  rest F                            restart1fie T
 Processor           0  rest F                            restart1fie T
 Processor           4  rest F                            restart1fie T
 Processor           1           0           0  ivec_start           1  ivec_end          76
 Processor           2           0           0  ivec_start           1  ivec_end          76
 Processor           7           0           0  ivec_start           1  ivec_end          76
 Processor           1  rest F                            restart1fie T
 Processor           2  rest F                            restart1fie T
 Processor           7  rest F                            restart1fie T
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 SC_move        4573  -110.58967993058491     
 Calling MINIM_DC
 SC_move        4598  -139.70768240858936     
 Calling MINIM_DC
 SC_move        4662  -101.25613656371091     
 Calling MINIM_DC
 SC_move        4676  -139.96822017781048     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4667   21.521553051675504     
 Calling MINIM_DC
 SC_move        4669   8.6353120386661857     
 Calling MINIM_DC
 SC_move        4677  -137.52025232632934     
 Calling MINIM_DC
CG processor   4 is finishing work.
CG processor   5 is finishing work.
CG processor   6 is finishing work.
CG processor   7 is finishing work.
CG processor   0 is finishing work.
CG processor   1 is finishing work.
CG processor   2 is finishing work.
CG processor   3 is finishing work.
Traceback (most recent call last):
  File "./matplotlib_hist.py", line 3, in <module>
    import matplotlib
  File "/usr/lib/python2.7/dist-packages/matplotlib/__init__.py", line 127, in <module>
    from matplotlib.rcsetup import defaultParams, validate_backend, cycler
  File "/usr/lib/python2.7/dist-packages/matplotlib/rcsetup.py", line 29, in <module>
    from matplotlib.fontconfig_pattern import parse_fontconfig_pattern
  File "/usr/lib/python2.7/dist-packages/matplotlib/fontconfig_pattern.py", line 32, in <module>
    from backports.functools_lru_cache import lru_cache
ImportError: No module named backports.functools_lru_cache


ACC   1   240.00000     0.04040   99
ACC   2   260.00000     0.02020   99
ACC   3   280.00000     0.06061   99
ACC   4   300.00000     0.10101   99
ACC   5   320.00000     0.13131   99
ACC   6   340.00000     0.14141   99
ACC   7   360.00000     0.07071   99
average exchange = 0.0808071