CDash : UNRES

30.49s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2023-05-10 04:55:24
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

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Test output

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CTEST_FULL_OUTPUT
[dell15:79868] [[38734,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:79868] [[38734,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
 MPI: node=             0  iseed=                  -3059742
 ns=            0
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    0.2182022817432880       order[            1 ]   0.3178124907426536      
 Total wall clock time    30.02525298716500       sec
 Processor            0  BROADCAST time   0.6162804784253240       REDUCE time 
    1.884508919902146       GATHER time    0.000000000000000       SCATTER time
    0.3833860345184803       SENDRECV    0.000000000000000       BARRIER ene 
   0.2826616778038442       BARRIER grad   0.1659552161581814     
CG processor   0 is finishing work.
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.808477017097175      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.8274849369190633      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow 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  74.2783
standard deviation  0.00385358
average total energy  74.2783
standard deviation  0.00385358