Execution Time21.89s

Test: UNRES_M_MD_microcanonical (Failed)
Build: devel Linux-pgi-MPI-DFA E0LL2Y (dell15) on 2020-03-15 19:51:56
Repository revision: b6e44584752243911a717a94aa770b3c1f52f3b8

Exit Value1

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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
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 2  
 2  
    
    
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
[dell15:61460] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:61460] 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    19.71998932585120       sec
 Processor            0  BROADCAST time   0.3756203018128872       REDUCE time 
    1.233718574047089       GATHER time    0.000000000000000       SCATTER time
    9.4659317284822464E-002  order[            1 ]   0.1636635288596153      
    0.2007260583341122       SENDRECV    0.000000000000000       BARRIER ene 
   0.1233990378677845       BARRIER grad   0.1139927282929420     
CG processor   0 is finishing work.
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.108265440911055      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.3414668031036854      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
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  79.6052
average total energy  79.6052
standard deviation  0.000629652
standard deviation  0.000629652
difference  5.3429 from reference ave etot 74.2623 greater than 5.0
difference  5.3429 from reference ave etot 74.2623 greater than 5.0
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[20647,1],0]
  Exit code:    1
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