Friday, November 01 2024 14:34:26
UNRES
76.40s| 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
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
Inside initialize 0 size of FG_COMM1 1
Inside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
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
MPI: node= 0 iseed= -3059742
Inside initialize MPI: node= 0 iseed= -3059742
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
indpdb= 45 pdbref= T
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
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 MPI: node= 0 iseed= -3059742
MPI: node= 0 iseed= -3059742
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
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 indpdb= 45 pdbref= T
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
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
0 size of FG_COMM1 1
Inside initializeInside initialize indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
Call Read_Bridge.
ns= 0
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
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
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!
read_dfa_info finished!
Processor 0 0 0 ivec_start 1 ivec_end
read_dfa_info finished!
Processor 0 0 0 ivec_start 1 ivec_end
76
76
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
read_dfa_info finished!
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 0 0 ivec_start 1 ivec_end
76
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
Processor 0 0 0 ivec_start 1 ivec_end
76
Processor 0 0 0 ivec_start 1 ivec_end
76
Calling OVERLAP_SC
Calling OVERLAP_SC
Processor 0 rest F restart1fie T
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!
Processor 0 0 0 ivec_start 1 ivec_end
76
Processor 0 rest F restart1fie T
Calling OVERLAP_SC
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 0 0 0 ivec_start 1 ivec_end
76
Processor 0 0 0 ivec_start 1 ivec_end
76
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 -1forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007FEFEB6B6083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007F94BFC14083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007F43B0977083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007F095D701083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007FB31917E083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007F374C7BA083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
forrtl: severe (104): incorrect POSITION= specifier value for connected file, unit 17, file /tmp/cdash/homology/build/source/unres/src_MD/dfa/remd_dfa_GB000.stat
Image PC Routine Line Source
unresMD_ifort_MPI 00000000005B27A0 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000005C95A4 Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004529D7 Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000499DDE Unknown Unknown Unknown
unresMD_ifort_MPI 00000000004A7131 Unknown Unknown Unknown
unresMD_ifort_MPI 000000000051634A Unknown Unknown Unknown
unresMD_ifort_MPI 0000000000404BA2 Unknown Unknown Unknown
libc-2.31.so 00007F77C9E20083 __libc_start_main Unknown Unknown
unresMD_ifort_MPI 0000000000404AAE Unknown Unknown Unknown
Bye Bye...
47.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
CG processor 0 is finishing work.
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 3354710 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 1 PID 3354711 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 2 PID 3354712 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 3 PID 3354713 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 5 PID 3354715 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 6 PID 3354716 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 7 PID 3354717 RUNNING AT dell15
= EXIT STATUS: 104
===================================================================================
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
