CDash : UNRES

37.05s

Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2023-02-25 03:42:19
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 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   36.9680738449097       sec
 Processor           0  BROADCAST time  0.212493419647217       REDUCE time
   1.29866552352905       GATHER time  0.000000000000000E+000  SCATTER time
  0.107049942016602       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.106392145156860       BARRIER grad  0.129614353179932     
CG processor   0 is finishing work.
  0.454436063766479       order[           1 ]  0.134685039520264       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   1.36186528205872       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   23.1755268573761       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy  74.2564
average total energy  74.2564
standard deviation  0.0417769
standard deviation  0.0417769