Execution Time18.70s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2020-04-15 04:31:33
Repository revision: a41c0a93eccae628b3f98c627c8a1291022a903d


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Test output
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--------------------------------------------------------------------------
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
[dell15:23325] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:23325] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
 Total wall clock time    18.51886069402099       sec
 Processor            0  BROADCAST time   0.3582565374672413       REDUCE time 
    0.1006486378610134       order[            1 ]   0.1509377397596836      
  order[            2 ]    0.000000000000000       order[            3 ] 
    1.160260777920485       GATHER time    0.000000000000000       SCATTER time
    0.1840645410120487       SENDRECV    0.000000000000000       BARRIER ene 
   0.1410985738039017       BARRIER grad   0.1080966033041477     
CG processor   0 is finishing work.
    0.000000000000000       order[            4 ]    1.056906290352345      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.3221518956124783      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
average total energy  74.2783
standard deviation  0.00385358
average total energy  74.2783
standard deviation  0.00385358