Execution Time191.00s

Test: UNRES_remd_dfa (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2024-05-01 04:00:37
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

Histograms remd_dfa
Energy remd_dfa

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Test output
CTEST_FULL_OUTPUT
 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           3
 nodes           8  rank           5
 nodes           8  rank           6
 nodes           8  rank           7
 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
 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
 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
 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 initializeInside initializeInside initializeInside initialize nodes           8  rank           2
 Processor           2  out of           8  rank in CG_COMM           2 
 nodes           8  rank           0
  size of CG_COMM           8  size of FG_COMM           1  rank in FG_COMM1
           0  size of FG_COMM1           1
 nodes           8  rank           4
Inside initialize 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 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 thetname_pdb 
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
          51  opened
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
          51  opened
                                                                                
                    
          51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
          51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
          51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
          51  opened
          51  opened
                                                                                
                    
          51  opened
 MPI: node=            3  iseed=              -12238971
 MPI: node=            7  iseed=              -24477943
 MPI: node=            6  iseed=              -21418200
 MPI: node=            5  iseed=              -18358457
 MPI: node=            1  iseed=               -6119485
 MPI: node=            2  iseed=               -9179228
 MPI: node=            4  iseed=              -15298714
 MPI: node=            0  iseed=               -3059742
 indpdb=          45  pdbref= T
 indpdb=          45  pdbref= T
 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
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 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
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 init_dfa_vars finished!
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 init_dfa_vars finished!
 read_dfa_info finished!
 Processor           3           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!
 read_dfa_info finished!
 Processor           2           0           0  ivec_start           1  ivec_end
 Processor           4           0           0  ivec_start           1  ivec_end
          76
          76
 read_dfa_info finished!
 Processor           5           0           0  ivec_start           1  ivec_end
          76
 Processor           3           0           0  ivec_start           1  ivec_end
          76
 read_dfa_info finished!
 Processor           7           0           0  ivec_start           1  ivec_end
          76
 read_dfa_info finished!
 Processor           1           0           0  ivec_start           1  ivec_end
          76
 Processor           3  rest F    restart1fie T
 Processor           7           0           0  ivec_start           1  ivec_end
          76
 Calling OVERLAP_SC
 Processor           4           0           0  ivec_start           1  ivec_end
          76
 Processor           7  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           5           0           0  ivec_start           1  ivec_end
          76
 Processor           0           0           0  ivec_start           1  ivec_end
          76
 read_dfa_info finished!
 Processor           6           0           0  ivec_start           1  ivec_end
          76
 Processor           4  rest F    restart1fie T
 Processor           1  rest F    restart1fie T
 Processor           2  rest F    restart1fie T
 Processor           5  rest F    restart1fie T
 Processor           0  rest F    restart1fie T
 Processor           6           0           0  ivec_start           1  ivec_end
          76
 Calling OVERLAP_SC
 Processor           6  rest F    restart1fie T
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
 Calling OVERLAP_SC
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
 SC_move        4657  -147.397219856042     
 Calling MINIM_DC
 SC_move        4662  -101.255762552821     
 Calling MINIM_DC
 SC_move        4669   8.63531203862820     
 Calling MINIM_DC
 SC_move        4573  -110.589679930591     
 Calling MINIM_DC
 SC_move        4598  -139.707682482386     
 Calling MINIM_DC
 SC_move        4676  -139.968220177893     
 Calling MINIM_DC
 SC_move        4677  -137.520252329435     
 Calling MINIM_DC
 SC_move        4667   21.5215530516755     
 Calling MINIM_DC
CG processor   0 is finishing work.
CG processor   1 is finishing work.
CG processor   2 is finishing work.
CG processor   3 is finishing work.
CG processor   4 is finishing work.
CG processor   5 is finishing work.
CG processor   6 is finishing work.
CG processor   7 is finishing work.


ACC   1   240.00000     0.02020   99
ACC   2   260.00000     0.02020   99
ACC   3   280.00000     0.11111   99
ACC   4   300.00000     0.09091   99
ACC   5   320.00000     0.17172   99
ACC   6   340.00000     0.24242   99
ACC   7   360.00000     0.07071   99
average exchange = 0.103896