145.66s
Test: UNRES_remd_dfa
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-05-29 04:01:06
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
| Histograms remd_dfa |  |
|---|
| Energy remd_dfa |  |
|---|
Show Command Line/bin/sh "/tmp/cdash/homology/build/source/unres/src_MD/dfa/test_mpi_E0LL2Y.sh" "remd_dfa" "1" "8"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
nodes 8 rank 1
nodes 8 rank 5
nodes 8 rank 7
nodes 8 rank 3
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
nodes 8 rank 6
nodes 8 rank 0
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 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 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
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
nodes 8 rank 2
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 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
Inside initializeInside initialize nodes 8 rank 4
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 initializeInside initializeInside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
Inside initialize 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
51 opened
MPI: node= 7 iseed= -24477943
MPI: node= 6 iseed= -21418200
MPI: node= 5 iseed= -18358457
indpdb= 45 pdbref= T
indpdb= 45 pdbref= T
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
Call Read_Bridge.
ns= 0
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
MPI: node= 1 iseed= -6119485
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
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
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
indpdb= 45 pdbref= T
Call Read_Bridge.
ns= 0
MPI: node= 3 iseed= -12238971
MPI: node= 4 iseed= -15298714
MPI: node= 2 iseed= -9179228
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!
read_dfa_info finished!
Processor 1 0 0 ivec_start 1 ivec_end
76
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
read_dfa_info finished!
Processor 6 0 0 ivec_start 1 ivec_end
76
read_dfa_info finished!
Processor 7 0 0 ivec_start 1 ivec_end
76
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
Processor 1 0 0 ivec_start 1 ivec_end
76
Processor 1 rest F restart1fie T
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
Calling OVERLAP_SC
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
Processor 6 0 0 ivec_start 1 ivec_end
76
read_dfa_info finished!
Processor 4 0 0 ivec_start 1 ivec_end
76
Processor 7 0 0 ivec_start 1 ivec_end
76
Processor 5 0 0 ivec_start 1 ivec_end
76
Processor 6 rest F restart1fie T
Processor 7 rest F restart1fie T
read_dfa_info finished!
Processor 0 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 3 0 0 ivec_start 1 ivec_end
76
Calling OVERLAP_SC
Calling OVERLAP_SC
Processor 5 rest F restart1fie T
Processor 4 0 0 ivec_start 1 ivec_end
76
Processor 0 0 0 ivec_start 1 ivec_end
76
Processor 2 0 0 ivec_start 1 ivec_end
76
Processor 3 0 0 ivec_start 1 ivec_end
76
Processor 4 rest F restart1fie T
Processor 0 rest F restart1fie T
Processor 2 rest F restart1fie T
Processor 3 rest F restart1fie T
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 4669 8.63531203862820
Calling MINIM_DC
SC_move 4662 -101.255762552821
Calling MINIM_DC
SC_move 4573 -110.589679930591
Calling MINIM_DC
SC_move 4657 -147.397219856042
Calling MINIM_DC
SC_move 4598 -139.707682482386
Calling MINIM_DC
SC_move 4677 -137.520252329435
Calling MINIM_DC
SC_move 4667 21.5215530516755
Calling MINIM_DC
SC_move 4676 -139.968220177893
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
