Tuesday, September 17 2024 04:12:06
UNRES
21.63s
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CTEST_FULL_OUTPUT
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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[dell15:41189] [[86,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
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= 0 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Total wall clock time 21.20369901508093 sec
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.5794387329369783 order[ 1 ] 0.2012757356278598
Processor 0 BROADCAST time 0.5083862924948335 REDUCE time
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 1.326861714012921
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 2.926467699930072
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
1.642150703817606 GATHER time 0.000000000000000 SCATTER time
0.2572178090922534 SENDRECV 0.000000000000000 BARRIER ene
0.1739763873629272 BARRIER grad 0.1415825588628650
CG processor 0 is finishing work.
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...
average total energy 74.2698
standard deviation 0.000916244
average total energy 74.2698
standard deviation 0.000916244
