Execution Time2.01s

Test: UNRES_M_MIN_prota (Failed)
Build: homology Linux-gfortan-MPI E0LL2Y (dell15) on 2023-12-08 03:25:05
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

Exit Value1

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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 MPI: node=            0  iseed=              -3059742
   0.0000000000000000        0.0000000000000000     
          45          46          47
   1.9750000000000014       -2.0169999999999995     
          45          46          47
 -0.87200000000000000       -3.2160000000000002     
          45          46          47
   3.1690000000000000       0.43400000000000016     
 just before leave
   0.0000000000000000        0.0000000000000000     
           2           3           4
  0.91500000000000004       -1.5520000000000000     
           2           3           4
   3.3159999999999998        2.1159999999999997     
           2           3           4
  -1.5579999999999998        2.7590000000000003     
 just before leave
 indpdb=          25  pdbref= T
   0.0000000000000000        0.0000000000000000     
          45          46          47
   1.9750000000000014       -2.0169999999999995     
          45          46          47
 -0.87200000000000000       -3.2160000000000002     
          45          46          47
   3.1690000000000000       0.43400000000000016     
 just before leave
   0.0000000000000000        0.0000000000000000     
           2           3           4
  0.91500000000000004       -1.5520000000000000     
           2           3           4
   3.3159999999999998        2.1159999999999997     
           2           3           4
  -1.5579999999999998        2.7590000000000003     
 just before leave
 ns=           0
 Call Read_Bridge.
 ns=           0
 dc  -1.8521036991148909     
 dc  -1.8521036991148909      -0.27399709316174381        1.2579789626266946     
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          901
 # eval/s   500.40902028321659     
 refstr= T
 after hairpin
 after secondary
 Processor           1  CG group           0  absolute rank           1  leves ERGASTULUM.
 Total wall clock time   1.9079461097717285       sec
 Processor           0  BROADCAST time   2.5372505187988281E-003  REDUCE time   1.5311479568481445E-002  GATHER time   0.0000000000000000       SCATTER time   0.0000000000000000       SENDRECV   0.0000000000000000       BARRIER ene   2.0184516906738281E-003  BARRIER grad   1.5237331390380859E-003
CG processor   0 is finishing work.
 Processor           1  wait times for respective orders order[           0 ]   1.4269113540649414E-002  order[           1 ]   8.0654382705688477E-002  order[           2 ]   2.3524806917912011E-310  order[           3 ]   2.3524806823908117E-310  order[           4 ]   0.0000000000000000       order[           5 ]   6.9531049098211225E-310  order[           6 ]   2.3524815241013026E-310  order[           7 ]  0.47023725509643555       order[           8 ]   2.3524815251317259E-310  order[           9 ]   2.0595683258875225E-316  order[          10 ]   6.9531049098337706E-310
STOP Bye Bye...
STOP Bye Bye...
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
WARNING: energy is somewhat different 6.145300, ene= -152.586800
WARNING: energy is somewhat different 6.145300, ene= -152.586800