CDash : UNRES

9.94s
Test: UNRES_MD_microcanonical (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-10-24 03:11:45
Processors	[Graph]1
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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 Processor           0  out of           2  rank in CG_COMM           0 
 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
  size of CG_COMM           1  size of FG_COMM           2  rank in FG_COMM1
           0  size of FG_COMM1           2
Inside initializeInside initialize 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
 Processor           1           1           1  ivec_start          11  ivec_end
          21
 indpdb=           0  pdbref= T
 Call Read_Bridge.
 ns=           0
 Processor           0           0           0  ivec_start           1  ivec_end
          10
 Total wall clock time   9.89212393760681       sec
 Processor           0  BROADCAST time  0.161547183990479       REDUCE time
  0.770240545272827       GATHER time  0.000000000000000E+000  SCATTER time
  8.530259132385254E-002  SENDRECV  0.000000000000000E+000  BARRIER ene
  8.395934104919434E-002  BARRIER grad  0.142373323440552     
CG processor   0 is finishing work.
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.303768157958984       order[           1 ]  0.139969587326050       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]  0.911834955215454       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.355368137359619       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy  74.2623
average total energy  74.2623
standard deviation  0.0221204
standard deviation  0.0221204