Execution Time0.52s

Test: UNRES_M_ss_static_min (Failed)
Build: homology Linux-gfortan-MPI E0LL2Y (dell15) on 2024-04-17 03:25:05
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

Exit Value1

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Test output
CTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
 MPI: node=            0  iseed=              -1111332
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 ns=           4
 dc   6.0099999999999998     
 dc   6.0099999999999998        15.358000000000001      -0.60600000000000009     
 MPI: node=            1  iseed=              -2222665
 indpdb=          25  pdbref= T
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 Call Read_Bridge.
 ns=           4
 dc   6.0099999999999998     
 dc   6.0099999999999998        15.358000000000001      -0.60600000000000009     
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          282
 # eval/s   731.77601892679297     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          282
 # eval/s   732.70349572287955     
 refstr= T
 after hairpin
 after secondary
CG processor   0 is finishing work.
CG processor   1 is finishing work.
initial energy=134.706 reference=134.706
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
WARNING: energy is somewhat different 11.024800, ene= -153.022400