CDash : UNRES

0.77s

Test: UNRES_M_ss_static_min (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2020-03-28 04:58:50
Repository revision: e03a9f80b12c006af17dcbe2d9a6a8c431db1dd1

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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.
 ns=           4
 Call Read_Bridge.
 ns=           4
 after etotal
 after etotal
 after hairpin
 after hairpin
 after secondary
 Calling MINIM_DC
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          813
 # eval/s   1453.56939854932     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          813
 # eval/s   1453.26213506169     
 refstr= T
 after hairpin
 after secondary
CG processor   0 is finishing work.
CG processor   1 is finishing work.
initial energy=253.914 reference=253.914
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= 6.304510, ene= 40.757390