CDash : UNRES

29.88s
Test: UNRES_MD_microcanonical (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2023-07-17 04:03:30
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 nodes           2  rank           1
 nodes           2  rank           0
 Processor           0  out of           2  rank in CG_COMM           0 
  size of CG_COMM           1  size of FG_COMM           2  rank in FG_COMM1
 Processor           1  out of           2  rank in FG_COMM           1 
  size of FG_COMM           2  rank in FG_COMM1           1  size of FG_COMM1
           2
           0  size of FG_COMM1           2
Inside initializeInside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                 
                                                                                
                                                                                
                    
 thetname_pdb 
 /tmp/cdash/homology/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           1           1  ivec_start          11  ivec_end
          21
 Processor           0           0           0  ivec_start           1  ivec_end
          10
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.437743663787842       order[           1 ]  0.118219852447510       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   1.09063005447388       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   18.0464606285095       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000  order[
          11 ]  0.000000000000000E+000  order[          12 ]
   2.42879253145880     
 Total wall clock time   29.7070240974426       sec
 Processor           0  BROADCAST time  0.175508499145508       REDUCE time
  0.724281549453735       GATHER time  0.000000000000000E+000  SCATTER time
  9.692072868347168E-002  SENDRECV  0.000000000000000E+000  BARRIER ene
  0.133320093154907       BARRIER grad  0.120346784591675     
CG processor   0 is finishing work.
Bye Bye...
Bye Bye...
average total energy  74.2704
average total energy  74.2704
standard deviation  0.000590071
standard deviation  0.000590071