CDash : UNRES

50.37s
Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-01-24 04:36:25
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
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[dell15:148544] [[58609,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:148544] [[58609,0],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                                                                                                                                                                                                                           
           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            1  CG group            0  absolute rank            1 
 Total wall clock time    49.15225718263537       sec
 Processor            0  BROADCAST time    1.545447845943272       REDUCE time 
    6.870570674538612       GATHER time    0.000000000000000       SCATTER time
     1.746183427982032       SENDRECV    0.000000000000000       BARRIER ene 
    1.811774407513440       BARRIER grad    1.352110233157873     
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     2.004289540462196       order[            1 ]    1.302926768548787      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    3.328904739581048      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.056755892001092      
  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