Execution Time0.53s

Test: UNRES_M_ss_static_min (Passed)
Build: devel Linux-ifort-MPI-DFA E0LL2Y (dell15) on 2020-03-23 04:56:35
Repository revision: ec9c93770c9e77ea31d2832f8598e3dbdac629d6


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Test output
CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
 1  
 1  
    
    
 indpdb=          25  pdbref= T
 indpdb=          25  pdbref= T
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           4
 ns=           4
 after etotal
 after etotal
 after hairpin
 after hairpin
 after secondary
 after secondary
 Calling MINIM_DC
 Calling MINIM_DC
 SUMSL return code is           8  eval          269
 # eval/s   1008.85469055273     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          269
 # eval/s   1005.34074210041     
 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= 5.841200, ene= -142.745000