Thursday, June 06 2024 15:23:52
UNRES
94.07s| Temperature distribution 1L2Y_B |
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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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[dell15:163168] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:163168] 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_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 93.37056512944400 sec
Processor 0 BROADCAST time 1.095410428941250 REDUCE time
7.319734970107675 GATHER time 0.000000000000000 SCATTER time
1.115968391299248 SENDRECV 0.000000000000000 BARRIER ene
0.8432736154645681 BARRIER grad 0.5506012924015522
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000 order[ 1 ] 1.014370085671544
order[ 2 ] 3.308055533096194 order[ 3 ]
1.933110484853387 order[ 4 ] 5.822533026337624
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 2.340257026255131
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
Chi2 for fitting theoretical temperature distribution 0.0010589410
