Monday, September 23 2024 20:32:52
UNRES
82.52s| 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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[dell15:173991] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:173991] 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
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 81.64666858199053 sec
Processor 0 BROADCAST time 0.3276081045041792 REDUCE time
2.015463161340449 GATHER time 0.000000000000000 SCATTER time
0.4961720998398960 SENDRECV 0.000000000000000 BARRIER ene
0.1918427443597466 BARRIER grad 8.5817655432038009E-002
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000 order[ 1 ] 0.1788872955949046
order[ 2 ] 1.503579927899409 order[ 3 ]
0.5442927055410109 order[ 4 ] 4.186453655187506
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.1376556960749440
order[ 8 ] 0.000000000000000 order[ 9 ]
3.413308172835968 order[ 10 ] 4.1062769596464932E-003
Chi2 for fitting theoretical temperature distribution 0.0000281473
