Monday, September 23 2024 13:27:33
UNRES
75.50s| Temperature distribution 1DKZcut-lang |
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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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[dell15:80508] [[39630,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
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
ns= 0
indpdb= 19 pdbref= T
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 74.75066681206226 sec
Processor 0 BROADCAST time 0.2776052677072585 REDUCE time
3.232234984636307 GATHER time 0.000000000000000 SCATTER time
0.4161113679874688 SENDRECV 0.000000000000000 BARRIER ene
1.773900190368295 BARRIER grad 0.1467618104070425
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000 order[ 1 ] 0.1211307991761714
order[ 2 ] 1.003430839162320 order[ 3 ]
0.4369916927535087 order[ 4 ] 3.169622495304793
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.1087772187311202
order[ 8 ] 0.000000000000000 order[ 9 ]
2.538427198771387 order[ 10 ] 3.6673899739980698E-003
Chi2 for fitting theoretical temperature distribution 0.0000281473
