Execution Time16.77s

Test: UNRES_M_MD_microcanonical (Passed)
Build: devel Linux-pgi-MPI NEWCORR (dell15) on 2020-03-27 05:26:23
Repository revision: 88fb48306668af16f9c3593176db04bd83d935f8

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
--------------------------------------------------------------------------
[dell15:170928] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:170928] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Bye Bye...
 2  
 2  
    
    
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 Total wall clock time    16.15777937695384       sec
 Processor            0  BROADCAST time   0.4013432711362839       REDUCE time 
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    9.7294598817825317E-002  order[            1 ]   0.2250794284045696      
    1.253390714526176       GATHER time    0.000000000000000       SCATTER time
    0.2133019492030144       SENDRECV    0.000000000000000       BARRIER ene 
    1.237768009305000       BARRIER grad   0.1073356345295906     
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.080681718885899      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.3427007459104061      
  order[            8 ]    0.000000000000000       order[            9 ] 
CG processor   0 is finishing work.
    0.000000000000000       order[           10 ]    0.000000000000000     
average total energy  188.048
standard deviation  0.000749702