Execution Time109.46s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2024-01-23 04:52:04
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
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CTEST_FULL_OUTPUT
[dell15:187766] [[32199,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:187766] [[32199,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
 Total wall clock time    108.7541293501854       sec
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     2.708936884067953       order[            1 ]    2.222118159756064      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    4.678407219238579      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.252631084993482      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
 Processor            0  BROADCAST time    2.468932624906301       REDUCE time 
    6.843007250688970       GATHER time    0.000000000000000       SCATTER time
     2.796845014207065       SENDRECV    0.000000000000000       BARRIER ene 
    8.523571149446070       BARRIER grad    1.551273205317557     
CG processor   0 is finishing work.
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