Execution Time45.58s

Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-12-24 04:34:32
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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Test output
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[dell15:36057] [[11370,0],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
--------------------------------------------------------------------------
 thetname_pdb 
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
 Total wall clock time    44.15120137296617       sec
 Processor            0  BROADCAST time    1.237238299567252       REDUCE time 
    5.325252930633724       GATHER time    0.000000000000000       SCATTER time
     1.155177525244653       SENDRECV    0.000000000000000       BARRIER ene 
    1.598510642535985       BARRIER grad    1.111078971996903     
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     1.810123514849693       order[            1 ]    1.128171836026013      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    2.699024014640599      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.9900086401030421      
  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  74.2698
standard deviation  0.000916244
average total energy  74.2698
standard deviation  0.000916244