Execution Time19.85s

Test: UNRES_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-03-13 04:34:32
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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[dell15:163503] [[56862,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
--------------------------------------------------------------------------
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
--------------------------------------------------------------------------
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
            0  size of FG_COMM1            2
 Processor            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
             2
Inside initializeInside initialize 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
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 ns=            0
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 Total wall clock time    19.49052122794092       sec
 Processor            0  BROADCAST time   0.5492588710039854       REDUCE time 
    1.159796116873622       GATHER time    0.000000000000000       SCATTER time
 Processor            1  CG group            0  absolute rank            1 
    0.2810725159943104       SENDRECV    0.000000000000000       BARRIER ene 
   0.2691477611660957       BARRIER grad   0.1551977358758450     
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    0.5709784068167210       order[            1 ]   0.2264661099761724      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.310104709118605      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5046153627336025      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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...
average total energy  74.2573
standard deviation  0.018124
average total energy  74.2573
standard deviation  0.018124