Tuesday, September 17 2024 21:24:16
UNRES
16.51s| Energy 1l2y_micro |
|---|
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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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[dell15:149898] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:149898] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
Warning: ieee_divide_by_zero 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...
2
2
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Total wall clock time 15.99688726663589 sec
Processor 0 BROADCAST time 0.3684504292905331 REDUCE time
1.198706243187189 GATHER time 0.000000000000000 SCATTER time
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
9.4673834741115570E-002 order[ 1 ] 0.1581379249691963
order[ 2 ] 0.000000000000000 order[ 3 ]
0.1813551709055901 SENDRECV 0.000000000000000 BARRIER ene
1.264873422682285 BARRIER grad 0.1134324185550213
CG processor 0 is finishing work.
0.000000000000000 order[ 4 ] 1.086210153996944
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.3337344266474247
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
average total energy 188.048
standard deviation 0.000749702
