Saturday, August 24 2024 21:44:37
UNRES
53.49s| Temperature distribution 1DKZcut-ber |
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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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[dell15:183444] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:183444] 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
ns= 0
MPI: node= 0 iseed= -3059742
indpdb= 19 pdbref= T
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 52.02319710329175 sec
Processor 0 BROADCAST time 0.1874472247436643 REDUCE time
1.100628704763949 GATHER time 0.000000000000000 SCATTER time
0.1457178564742208 SENDRECV 0.000000000000000 BARRIER ene
9.0307156555354595E-002 BARRIER grad 6.3122505322098732E-002
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000 order[ 1 ] 0.1239782497286797
order[ 2 ] 1.028630289249122 order[ 3 ]
0.4933560676872730 order[ 4 ] 1.793597859330475
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 2.729654252529144
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
Chi2 for fitting theoretical temperature distribution 0.0031388606
