Execution Time85.87s

Test: UNRES_M_Berendsen (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-05-04 04:10:20
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

Temperature distribution 1L2Y_B

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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
--------------------------------------------------------------------------
[dell15:47893] [[7078,0],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_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow 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
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time    85.16047308593988       sec
 Processor            0  BROADCAST time   0.9619396533817053       REDUCE time 
    6.888427391648293       GATHER time    0.000000000000000       SCATTER time
     1.096032697707415       SENDRECV    0.000000000000000       BARRIER ene 
   0.6152928546071053       BARRIER grad   0.4380449466407299     
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
     0.000000000000000       order[            1 ]    1.099519480019808      
  order[            2 ]    3.342253353446722       order[            3 ] 
    1.689677890390158       order[            4 ]    5.417618535459042      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    2.060374872758985      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0010589410