CDash : UNRES

0.21s
Test: UNRES_M_ENE_prota (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2020-03-15 17:14:26
Repository revision: 0c54565e07563e4495b18e8ccf9b0974c295c1f9
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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 MPI: node=            0  iseed=               -3059742
 indpdb=          23  pdbref= T
  0.000000000000000E+000  0.000000000000000E+000
          45          46          47
   1.97500000000000       -2.01700000000000     
  0.000000000000000E+000  0.000000000000000E+000
          45          46          47
   1.97500000000000       -2.01700000000000     
          45          46          47
 -0.872000000000000       -3.21600000000000     
          45          46          47
   3.16900000000000       0.434000000000000     
 just before leave
  0.000000000000000E+000  0.000000000000000E+000
           2           3           4
  0.915000000000000       -1.55200000000000     
           2           3           4
   3.31600000000000        2.11600000000000     
           2           3           4
  -1.55800000000000        2.75900000000000     
 just before leave
          45          46          47
 -0.872000000000000       -3.21600000000000     
          45          46          47
   3.16900000000000       0.434000000000000     
 just before leave
  0.000000000000000E+000  0.000000000000000E+000
           2           3           4
  0.915000000000000       -1.55200000000000     
           2           3           4
   3.31600000000000        2.11600000000000     
           2           3           4
  -1.55800000000000        2.75900000000000     
 just before leave
 ns=           0
 Call Read_Bridge.
 ns=           0
 dc  -1.85210369911489     
 dc  -1.85210369911489      -0.273997093161744        1.25797896262669     
 after etotal
 after hairpin
 after secondary
 refstr= T
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.000000000000000E+000  order[           1 ]  0.000000000000000E+000  order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]  0.000000000000000E+000  order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.000000000000000E+000  order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time  5.422306060791016E-002  sec
 Processor           0  BROADCAST time  4.410743713378906E-004  REDUCE time
  2.098083496093750E-005  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  9.775161743164062E-006  BARRIER grad  0.000000000000000E+000
CG processor   0 is finishing work.
Bye Bye...
Bye Bye...
OK: absdiff= 0, ene= -146.009100
OK: absdiff= 0, ene= -146.009100