Monday, September 23 2024 13:23:50
UNRES
68.79s| Temperature distribution 1DKZcut-lang |
|---|
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CTEST_FULL_OUTPUT
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WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.
The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.
Local host: dell15
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[dell15:68169] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:68169] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 19 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Total wall clock time 68.16730691492558 sec
Processor 0 BROADCAST time 0.2646156512200832 REDUCE time
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
1.960232127457857 GATHER time 0.000000000000000 SCATTER time
0.3617986887693405 SENDRECV 0.000000000000000 BARRIER ene
Processor 1 wait times for respective orders order[ 0 ]
0.3782019577920437 BARRIER grad 7.6254539191722870E-002
CG processor 0 is finishing work.
0.000000000000000 order[ 1 ] 0.1219165548682213
order[ 2 ] 1.211749166250229 order[ 3 ]
0.4429911747574806 order[ 4 ] 3.332342997193336
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.1101431138813496
order[ 8 ] 0.000000000000000 order[ 9 ]
2.586587984114885 order[ 10 ] 3.1476132571697235E-003
Chi2 for fitting theoretical temperature distribution 0.0000281473
