CDash : UNRES

0.23s
Test: UNRES_M_ENE_prota (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2024-04-30 04:01:34
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
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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     
          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
  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
 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  6.973218917846680E-002  sec
 Processor           0  BROADCAST time  3.099441528320312E-006  REDUCE time
  2.503395080566406E-005  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  9.059906005859375E-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