Friday, November 01 2024 04:46:47
UNRES
51.46s| 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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[dell15:43483] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:43483] 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
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 50.74879289790988 sec
Processor 0 BROADCAST time 0.1706751156598330 REDUCE time
1.053504934534431 GATHER time 0.000000000000000 SCATTER time
Processor 1 wait times for respective orders order[ 0 ]
0.1227101255208254 SENDRECV 0.000000000000000 BARRIER ene
9.0515058487653732E-002 BARRIER grad 5.7296013459563255E-002
CG processor 0 is finishing work.
0.000000000000000 order[ 1 ] 0.1141576543450356
order[ 2 ] 1.039394235238433 order[ 3 ]
0.4873393848538399 order[ 4 ] 1.702471764758229
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 3.044903893023729
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
Chi2 for fitting theoretical temperature distribution 0.0031388606
