Execution Time100.67s

Test: UNRES_M_Berendsen (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-02-08 04:07:23
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

Temperature distribution 1L2Y_B

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Test output
CTEST_FULL_OUTPUT
[dell15:120305] [[30019,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
[dell15:120305] [[30019,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
Warning: ieee_invalid 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_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
 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
 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 ]
 Total wall clock time    98.95173865556717       sec
 Processor            0  BROADCAST time    1.063600774854422       REDUCE time 
    7.677399481646717       GATHER time    0.000000000000000       SCATTER time
     1.175793135538697       SENDRECV    0.000000000000000       BARRIER ene 
    1.641492599621415       BARRIER grad   0.8522386765107512     
CG processor   0 is finishing work.
     0.000000000000000       order[            1 ]    1.040105912834406      
  order[            2 ]    3.099736093543470       order[            3 ] 
    1.871167156845331       order[            4 ]    5.748521558940411      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    3.832952354103327      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0010589410