Execution Time0.12s

Test: UNRES_M_ENE_prota (Failed)
Build: homology Linux-gfortan-MPI E0LL2Y (dell15) on 2024-10-22 03:25:06

Exit Value1
Processors[Graph]1

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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
 ns=           0
 indpdb=          23  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
 Call Read_Bridge.
 ns=           0
 dc  -1.8521036991148909     
 dc  -1.8521036991148909      -0.27399709316174381        1.2579789626266946     
 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 ]   0.0000000000000000       order[           1 ]   0.0000000000000000       order[           2 ]   0.0000000000000000       order[           3 ]   0.0000000000000000       order[           4 ]   0.0000000000000000       order[           5 ]   0.0000000000000000       order[           6 ]   0.0000000000000000       order[           7 ]   0.0000000000000000       order[           8 ]   0.0000000000000000       order[           9 ]   0.0000000000000000       order[          10 ]   0.0000000000000000     
 Total wall clock time   4.5266866683959961E-002  sec
 Processor           0  BROADCAST time   3.0994415283203125E-006  REDUCE time   5.0067901611328125E-006  GATHER time   0.0000000000000000       SCATTER time   0.0000000000000000       SENDRECV   0.0000000000000000       BARRIER ene   2.8610229492187500E-006  BARRIER grad   0.0000000000000000     
CG processor   0 is finishing work.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
WARNING: energy is somewhat different 289.444611, ene= 143.435511
WARNING: energy is somewhat different 289.444611, ene= 143.435511