CDash : UNRES

12.85s

Test: UNRES_M_MD_microcanonical (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2019-10-16 03:46:18
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   12.7533249855042       sec
 Processor           0  BROADCAST time  0.194172620773315       REDUCE time
   1.33644104003906       GATHER time  0.000000000000000E+000  SCATTER time
  9.260368347167969E-002  SENDRECV  0.000000000000000E+000  BARRIER ene
  9.502005577087402E-002  BARRIER grad  0.155466794967651     
CG processor   0 is finishing work.
  0.372820615768433       order[           1 ]  0.135318279266357       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   1.20463562011719       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.412665843963623       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy  74.2564
standard deviation  0.0417769
average total energy  74.2564
standard deviation  0.0417769