Wednesday, September 25 2024 11:21:54
UNRES
26.60s
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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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[dell15:50434] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:50434] 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 26.31673873800901 sec
Processor 0 BROADCAST time 0.1151706060336437 REDUCE time
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
0.7734655925596599 GATHER time 0.000000000000000 SCATTER time
4.8168906359933317E-002 SENDRECV 0.000000000000000 BARRIER ene
Processor 1 wait times for respective orders order[ 0 ]
0.2291048591141589 BARRIER grad 0.1156891753780656
CG processor 0 is finishing work.
0.1510843587457202 order[ 1 ] 3.6596827936591581E-002
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 0.6393961456487887
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.3493567154800985
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
average total energy -173.628
standard deviation 0.00037058
