Friday, September 20 2024 00:56:31
UNRES
20.08s| 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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[dell15:57838] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:57838] 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_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
2
2
indpdb= 0 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
Total wall clock time 19.64039907976985 sec
Processor 0 BROADCAST time 0.3969317302107811 REDUCE time
1.171386420726776 GATHER time 0.000000000000000 SCATTER time
0.1041994355618954 order[ 1 ] 0.1942502520978451
order[ 2 ] 0.000000000000000 order[ 3 ]
0.2274902872741222 SENDRECV 0.000000000000000 BARRIER ene
0.1937087923288345 BARRIER grad 8.9581266045570374E-002
CG processor 0 is finishing work.
0.000000000000000 order[ 4 ] 1.103315617889166
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.3631575517356396
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
average total energy 79.74
standard deviation 0.0547348
