Execution Time42.46s

Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-01-23 04:35:22
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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[dell15:177030] [[4919,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
--------------------------------------------------------------------------
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
--------------------------------------------------------------------------
 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
 ns=            0
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     1.872402319684625       order[            1 ]    2.905407612212002      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    2.206573014147580      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.7815689556300640      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
 Total wall clock time    41.47242437489331       sec
 Processor            0  BROADCAST time    1.773453550413251       REDUCE time 
    8.579399635083973       GATHER time    0.000000000000000       SCATTER time
     1.582515811547637       SENDRECV    0.000000000000000       BARRIER ene 
    3.354531969875097       BARRIER grad    2.345481540076435     
CG processor   0 is finishing work.
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  74.2698
standard deviation  0.000916244
average total energy  74.2698
standard deviation  0.000916244