Execution Time20.51s

Test: UNRES_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-12-08 04:35:30
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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[dell15:75374] [[34524,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
--------------------------------------------------------------------------
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 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 ns=            0
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time    20.13106565293856       sec
 Processor            1  wait times for respective orders order[            0 ]
 Processor            0  BROADCAST time   0.5651689599035308       REDUCE time 
    0.5803161500953138       order[            1 ]   0.2280854919226840      
    1.211998674902134       GATHER time    0.000000000000000       SCATTER time
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.383794560562819      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5235270794946700      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
    0.2869577435776591       SENDRECV    0.000000000000000       BARRIER ene 
   0.2690440384903923       BARRIER grad   0.1624970876146108     
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_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