Execution Time0.54s

Test: UNRES_M_ss_static_min (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (m10) on 2024-05-01 03:27:09
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

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Test output
CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
 MPI: node=            0  iseed=              -1111332
 MPI: node=            1  iseed=              -2222665
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 ns=           4
 indpdb=          25  pdbref= T
 dc   6.0099999999999998     
 dc   6.0099999999999998        15.358000000000001      -0.60600000000000009     
 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   1416.8944451166117     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          282
 # eval/s   1375.1001021913594     
 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
OK: absdiff= 6.277700, ene= -135.719900