Execution Time19.22s

Test: UNRES_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-06 04:04:29
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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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
--------------------------------------------------------------------------
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
 Processor            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
             2
            0  size of FG_COMM1            2
Inside initializeInside initialize thetname_pdb 
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
[dell15:65478] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:65478] 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.
 Total wall clock time    18.97506726160645       sec
 Processor            0  BROADCAST time   0.4845855534076691       REDUCE time 
    1.165667496621609       GATHER time    0.000000000000000       SCATTER time
    0.2516547758132219       SENDRECV    0.000000000000000       BARRIER ene 
   0.3477826621383429       BARRIER grad   0.1917820572853088     
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
    0.3790960349142551       order[            1 ]   0.1931941322982311      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.106748858466744      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.4239649008959532      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
average total energy  74.2573
standard deviation  0.018124
average total energy  74.2573
standard deviation  0.018124