Execution Time71.66s

Test: UNRES_M_multi_Berendsen (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-04 04:06:05
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

Temperature distribution 1DKZcut-ber

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Test output
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
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
--------------------------------------------------------------------------
[dell15:129726] [[23052,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
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 
 Total wall clock time    70.91256596334279       sec
 Processor            0  BROADCAST time   0.2372912634164095       REDUCE time 
    1.350746041163802       GATHER time    0.000000000000000       SCATTER time
    0.1723027061671019       SENDRECV    0.000000000000000       BARRIER ene 
   0.1196995899081230       BARRIER grad   7.9193608835339546E-002
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     0.000000000000000       order[            1 ]   0.1567331906408072      
  order[            2 ]    1.316399639472365       order[            3 ] 
   0.6057565342634916       order[            4 ]    2.433930246159434      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    3.125773414969444      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0031388606