CDash : UNRES

63.50s

Test: UNRES_M_Berendsen (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-01-16 03:42:01
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 ]
 Total wall clock time   62.9961988925934       sec
 Processor           0  BROADCAST time  0.291831016540527       REDUCE time
  0.000000000000000E+000  order[           1 ]  0.586469888687134       order[
           2 ]  0.756294488906860       order[           3 ]
   5.28674674034119       GATHER time  0.000000000000000E+000  SCATTER time
  0.340872049331665       SENDRECV  0.000000000000000E+000  BARRIER ene
   4.00356864929199       BARRIER grad  0.676368474960327     
CG processor   0 is finishing work.
   1.38385415077209       order[           4 ]   4.72251677513123       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   18.9131901264191       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
Chi2 for fitting theoretical temperature distribution  0.0010556187