Execution Time115.62s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2023-05-18 04:52:43
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
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CTEST_FULL_OUTPUT
[dell15:50731] [[26264,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
[dell15:50731] [[26264,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 Total wall clock time    114.8951315898448       sec
 Processor            0  BROADCAST time    3.394544747192413       REDUCE time 
    7.313265236560255       GATHER time    0.000000000000000       SCATTER time
     3.921520464122295       SENDRECV    0.000000000000000       BARRIER ene 
    10.37230922561139       BARRIER grad    1.812917315401137     
CG processor   0 is finishing work.
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
     3.725407980382442       order[            1 ]    3.451311698183417      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    4.949478124268353      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.576878568623215      
  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_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow 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