Execution Time0.86s

Test: UNRES_M_ss_static_min (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2024-04-18 04:01:30
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
CTEST_FULL_OUTPUT
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 MPI: node=            0  iseed=               -1111332
 indpdb=          25  pdbref= T
 MPI: node=            1  iseed=               -2222665
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 ns=           4
 Call Read_Bridge.
 ns=           4
 dc   6.01000000000000     
 dc   6.01000000000000     
 dc   6.01000000000000        15.3580000000000      -0.606000000000000     
 dc   6.01000000000000        15.3580000000000      -0.606000000000000     
 after etotal
 after etotal
 after hairpin
 after hairpin
 after secondary
 Calling MINIM_DC
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          346
 # eval/s   1150.78280838646     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          346
 # eval/s   1146.86498054352     
 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 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 6.457500, ene= -135.540100