Execution Time20.28s

Test: UNRES_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-01-01 04:36:10
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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[dell15:01537] [[42674,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:01537] [[42674,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
 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
 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
Inside initializeInside initialize thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 ns=            0
 MPI: node=             0  iseed=                  -3059742
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 Processor            1  CG group            0  absolute rank            1 
 Total wall clock time    19.94044997124001       sec
 Processor            0  BROADCAST time   0.5505734295584261       REDUCE time 
    1.190647764597088       GATHER time    0.000000000000000       SCATTER time
    0.3077676198445261       SENDRECV    0.000000000000000       BARRIER ene 
   0.2820000937208533       BARRIER grad   0.1695979037322104     
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    0.5251695886254311       order[            1 ]   0.2215957483276725      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.323125498834997      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5187234301120043      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Warning: ieee_invalid is signaling
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
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