Sunday, September 22 2024 03:33:34
UNRES
76.05s| 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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[dell15:112754] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:112754] 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
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 19 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Total wall clock time 75.35306875919923 sec
Processor 0 BROADCAST time 0.2908200179226696 REDUCE time
1.959576593246311 GATHER time 0.000000000000000 SCATTER time
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.4017357374541461 SENDRECV 0.000000000000000 BARRIER ene
0.1132594188675284 BARRIER grad 9.1592154931277037E-002
CG processor 0 is finishing work.
0.000000000000000 order[ 1 ] 0.1148364651016891
order[ 2 ] 1.270704280119389 order[ 3 ]
0.4511309531517327 order[ 4 ] 3.758554934058338
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.1163454116322100
order[ 8 ] 0.000000000000000 order[ 9 ]
2.877648817375302 order[ 10 ] 3.5306019708514214E-003
Chi2 for fitting theoretical temperature distribution 0.0000281473
