105.55s
Test: UNRES_remd_dfa
(Passed)
Build: homology Linux-pgi-MPI E0LL2Y
(dell15)
on 2018-07-17 04:27:59
Repository revision: 11a30d63a53082c984f22fcf36766666cbec2cc1
| 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
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
nodes 8 rank 6
nodes 8 rank 7
nodes 8 rank 0
nodes 8 rank 2
nodes 8 rank 4
nodes 8 rank 5
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 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
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
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
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 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
nodes 8 rank 1
nodes 8 rank 3
Processor 3 out of 8 rank in CG_COMM 3
size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initializeInside initializeInside initializeInside initializeInside 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
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
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
51 opened
MPI: node= 7 iseed= -24477943
MPI: node= 5 iseed= -18358457
MPI: node= 4 iseed= -15298714
MPI: node= 6 iseed= -21418200
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 45 pdbref= T
indpdb= 45 pdbref= T
MPI: node= 1 iseed= -6119485
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
Call Read_Bridge.
ns= 0
indpdb= 45 pdbref= T
MPI: node= 3 iseed= -12238971
Call Read_Bridge.
ns= 0
indpdb= 45 pdbref= T
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!
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!
read_dfa_info finished!
Processor 4 0 0 ivec_start 1
ivec_end 76
Processor 6 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 2 0 0 ivec_start 1
ivec_end 76
read_dfa_info finished!
read_dfa_info finished!
Processor 7 0 0 ivec_start 1
ivec_end 76
Processor 5 0 0 ivec_start 1
ivec_end 76
Processor 4 0 0 ivec_start 1
ivec_end 76
Processor 6 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 5 0 0 ivec_start 1
ivec_end 76
Processor 7 0 0 ivec_start 1
ivec_end 76
read_dfa_info finished!
Processor 1 0 0 ivec_start 1
ivec_end 76
ishiftca= 1 ilastca= 76
[dell15:95266] 7 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:95266] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
init_dfa_vars finished!
Processor 6 rest F restart1fie T
Processor 4 rest F restart1fie T
Processor 0 rest F restart1fie T
Processor 2 rest F restart1fie T
Processor 5 rest F restart1fie T
Processor 7 rest F restart1fie T
Calling OVERLAP_SC
Calling OVERLAP_SC
Calling OVERLAP_SC
Calling OVERLAP_SC
Calling OVERLAP_SC
Calling OVERLAP_SC
Processor 1 0 0 ivec_start 1
ivec_end 76
read_dfa_info finished!
Processor 3 0 0 ivec_start 1
ivec_end 76
Processor 1 rest F restart1fie T
Processor 3 0 0 ivec_start 1
ivec_end 76
Processor 3 rest F restart1fie T
Calling OVERLAP_SC
Calling OVERLAP_SC
SC_move 4667 21.52155304958446
Calling MINIM_DC
SC_move 4669 8.635312229196570
Calling MINIM_DC
SC_move 4657 -147.3848941084216
Calling MINIM_DC
SC_move 4677 -137.5202523766904
Calling MINIM_DC
SC_move 4573 -110.5896799340041
Calling MINIM_DC
SC_move 4660 -128.7537208896578
Calling MINIM_DC
SC_move 4598 -139.7076286422192
Calling MINIM_DC
SC_move 4676 -139.9682201651053
Calling MINIM_DC
CG processor 3 is finishing work.
CG processor 0 is finishing work.
CG processor 7 is finishing work.
CG processor 4 is finishing work.
CG processor 5 is finishing work.
CG processor 1 is finishing work.
CG processor 6 is finishing work.
CG processor 2 is finishing work.
ACC 1 240.00000 0.04040 99
ACC 2 260.00000 0.02020 99
ACC 3 280.00000 0.11111 99
ACC 4 300.00000 0.08081 99
ACC 5 320.00000 0.17172 99
ACC 6 340.00000 0.11111 99
ACC 7 360.00000 0.08081 99
average exchange = 0.0880229
