CDash : UNRES

26.28s
Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-02-05 04:13:05
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
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[dell15:179117] [[6940,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:179117] [[6940,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 Total wall clock time    25.98907982092351       sec
 Processor            0  BROADCAST time   0.5334567176178098       REDUCE time 
    1.815824978053570       GATHER time    0.000000000000000       SCATTER time
    0.2733668209984899       SENDRECV    0.000000000000000       BARRIER ene 
   0.1874336153268814       BARRIER grad   0.1594641059637070     
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
    0.6088874610140920       order[            1 ]   0.2299812613055110      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.395590492524207      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    6.128427426330745      
  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  74.2698
standard deviation  0.000916244
average total energy  74.2698
standard deviation  0.000916244