CDash : UNRES

41.35s

Test: UNRES_M_Berendsen (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-02-05 03:45:37
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

Temperature distribution 1L2Y_B

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CTEST_FULL_OUTPUT
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 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                          
                                                                                
                                                                                
                    
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                          
                                                                                
                                                                                
                    
          51  opened
          51  opened
 MPI: node=            0  iseed=               -3059742
 indpdb=           0  pdbref= T
 ns=           0
 Call Read_Bridge.
 ns=           0
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.000000000000000E+000  order[           1 ]  0.414357185363770       order[
 Total wall clock time   40.8163580894470       sec
           2 ]  0.723932504653931       order[           3 ]
 Processor           0  BROADCAST time  0.205690145492554       REDUCE time
   3.97128820419312       GATHER time  0.000000000000000E+000  SCATTER time
  0.290544509887695       SENDRECV  0.000000000000000E+000  BARRIER ene
   1.28605318069458       order[           4 ]   4.68859910964966       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   2.01182150840759       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
   2.74634528160095       BARRIER grad  0.369412422180176     
CG processor   0 is finishing work.
Chi2 for fitting theoretical temperature distribution  0.0010556187