Execution Time0.52s

Test: UNRES_M_ss_static_min (Passed)
Build: devel Linux-ifort-MPI-DFA_no5D E0LL2Y (dell15) on 2024-04-09 05:11:40
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
Bye Bye...
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 1  
    
 1  
    
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 ns=           4
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 ns=           4
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          269
 # eval/s   1170.44596686183     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          269
 # eval/s   955.248408085512     
 refstr= T
 after hairpin
 after secondary
CG processor   0 is finishing work.
CG processor   1 is finishing work.
initial energy=127.042 reference=127.044
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= 5.8412, ene= -1.427450E+02