CDash : UNRES

21.70s
Test: UNRES_MD_microcanonical (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2024-03-06 04:02:12
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 nodes           2  rank           0
 nodes           2  rank           1
 Processor           0  out of           2  rank in CG_COMM           0 
  size of CG_COMM           1  size of FG_COMM           2  rank in FG_COMM1
           0  size of FG_COMM1           2
 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
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           0           0           0  ivec_start           1  ivec_end
          10
 Processor           1           1           1  ivec_start          11  ivec_end
          21
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
 Total wall clock time   21.5580310821533       sec
 Processor           0  BROADCAST time  0.254185199737549       REDUCE time
   1.00816464424133       GATHER time  0.000000000000000E+000  SCATTER time
  0.109218358993530       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.142251014709473       BARRIER grad  0.200995445251465     
  0.423411846160889       order[           1 ]  0.159860849380493       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   1.07197356224060       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   8.27826786041260       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000  order[
          11 ]  0.000000000000000E+000  order[          12 ]
   2.42879253145880     
CG processor   0 is finishing work.
Bye Bye...
Bye Bye...
average total energy  74.2704
standard deviation  0.000590071
average total energy  74.2704
standard deviation  0.000590071