Tuesday, November 05 2024 05:20:24
UNRES
102.40s| Histograms remd_dfa | |
|---|---|
| Energy remd_dfa | |
| Processors | [Graph]1 |
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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 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
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
nodes 1 rank 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 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 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
MPI: node= 0 iseed= -3059742
MPI: node= 0 iseed= -3059742
indpdb= 45 pdbref= T
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
indpdb= 45 pdbref= T
MPI: node= 0 iseed= -3059742
Call Read_Bridge.
ns= 0
MPI: node= 0 iseed= -3059742
MPI: node= 0 iseed= -3059742
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
init_dfa_vars finished!
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 rest F restart1fie T
Processor 0 0 0 ivec_start 1 ivec_end 76
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
Processor 0 rest F restart1fie T
Calling OVERLAP_SC
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 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...
76
read_dfa_info finished!
Processor 0 0 0 ivec_start 1 ivec_end 76
Calling OVERLAP_SC
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
ishiftca= 1 ilastca= 76
init_dfa_vars 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 rest F restart1fie T
Processor 0 rest F restart1fie T
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
Calling OVERLAP_SC
Calling OVERLAP_SC
Calling OVERLAP_SC
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
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
