Execution Time102.57s

Test: UNRES_remd_dfa (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (dell15) on 2024-10-29 03:25:05

Histograms remd_dfa
Energy remd_dfa
Processors[Graph]1

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Test output
CTEST_FULL_OUTPUT
 nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize MPI: node=            0  iseed=              -3059742
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize MPI: node=            0  iseed=              -3059742
 indpdb=          45  pdbref= T
 MPI: node=            0  iseed=              -3059742
 MPI: node=            0  iseed=              -3059742
 MPI: node=            0  iseed=              -3059742
 Call Read_Bridge.
 ns=           0
 MPI: node=            0  iseed=              -3059742
 indpdb=          45  pdbref= T
 MPI: node=            0  iseed=              -3059742
 indpdb=          45  pdbref= T
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 indpdb=          45  pdbref= T
 MPI: node=            0  iseed=              -3059742
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 indpdb=          45  pdbref= T
 Call Read_Bridge.
 ns=           0
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 Processor           0           0           0  ivec_start           1  ivec_end          76
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0  rest F                            restart1fie T
 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           0           0           0  ivec_start           1  ivec_end          76
 Calling OVERLAP_SC
 read_dfa_info finished!
 read_dfa_info finished!
 Processor           0           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor         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...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
  0           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           0           0           0  ivec_start           1  ivec_end          76
 read_dfa_info finished!
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0  rest F                            restart1fie T
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0           0           0  ivec_start           1  ivec_end          76
 Processor           0  rest F                            restart1fie T
 Processor           0  rest F                            restart1fie T
 Processor           0  rest F                            restart1fie T
 Processor           0  rest F                            restart1fie T
 Processor           0  rest F                            restart1fie T
 Processor           0  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
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
 SC_move        4657  -147.39709923192356     
 Calling MINIM_DC
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.
CG processor   0 is finishing work.


awk: cmd. line:1: fatal: division by zero attempted
average exchange = 
(standard_in) 1: syntax error
./prota_unres_energy_check.sh: line 269: [: !=: unary operator expected