Execution Time63.08s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2023-12-16 04:54:49
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
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[dell15:61088] [[19987,0],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
--------------------------------------------------------------------------
 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.
 Processor            1  wait times for respective orders order[            0 ]
    0.1812169253826141       order[            1 ]   0.2452153989579529      
 Total wall clock time    62.78827173099853       sec
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.857904332457110      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    30.89355761301704      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
 Processor            0  BROADCAST time   0.6022780502680689       REDUCE time 
    1.896449071587995       GATHER time    0.000000000000000       SCATTER time
    0.3017708591651171       SENDRECV    0.000000000000000       BARRIER ene 
   0.2699094566050917       BARRIER grad   0.1879981809761375     
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_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
average total energy  74.2783
average total energy  74.2783
standard deviation  0.00385358
standard deviation  0.00385358