Execution Time29.51s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-05 04:26:10
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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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
 Call Read_Bridge.
 ns=            0
 ns=            0
[dell15:111184] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:111184] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 Total wall clock time    29.27850070223212       sec
 Processor            0  BROADCAST time   0.5427338276058435       REDUCE time 
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    0.1378438752144575       order[            1 ]   0.2372539620846510      
  order[            2 ]    0.000000000000000       order[            3 ] 
    1.745646199211478       GATHER time    0.000000000000000       SCATTER time
    0.2867853995412588       SENDRECV    0.000000000000000       BARRIER ene 
   0.2252417970448732       BARRIER grad   0.1439046114683151     
    0.000000000000000       order[            4 ]    1.741711495444179      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5688478834927082      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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
standard deviation  0.00385358
average total energy  74.2783
standard deviation  0.00385358