Execution Time79.55s

Test: UNRES_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-12-12 04:40:05
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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[dell15:160553] [[54168,0],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 
            0  size of FG_COMM1            2
Inside initialize 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
 thetname_pdb 
Inside initialize /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
 Call Read_Bridge.
 ns=            0
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 Total wall clock time    77.99894150393084       sec
 Processor            0  BROADCAST time    3.727618025150150       REDUCE time 
    10.56469624349847       GATHER time    0.000000000000000       SCATTER time
     3.416904045501724       SENDRECV    0.000000000000000       BARRIER ene 
    7.646946135908365       BARRIER grad    5.488276191055775     
CG processor   0 is finishing work.
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     4.024200657149777       order[            1 ]    6.194939038483426      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    3.423120311927050      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.431133358739316      
  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