Execution Time16.49s

Test: UNRES_M_MD_microcanonical (Passed)
Build: devel Linux-pgi-MPI NEWCORR (dell15) on 2020-03-30 05:22:01
Repository revision: b3efc8d5acc9051f49c246721f0d1f78dde46d01

Energy 1l2y_micro

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Test output
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
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
--------------------------------------------------------------------------
[dell15:46274] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:46274] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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...
 2  
 2  
    
    
 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 ]
    0.1045435518026352       order[            1 ]   0.1725230515003204      
 Total wall clock time    15.97814696282148       sec
 Processor            0  BROADCAST time   0.3979270756244659       REDUCE time 
    1.296155486255884       GATHER time    0.000000000000000       SCATTER time
    0.1891038864850998       SENDRECV    0.000000000000000       BARRIER ene 
    1.228844571858644       BARRIER grad   0.1228398643434048     
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.086555566638708      
  order[            5 ]    0.000000000000000       order[            6 ] 
CG processor   0 is finishing work.
    0.000000000000000       order[            7 ]   0.3337944336235523      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
average total energy  188.048
standard deviation  0.000749702