CDash : UNRES

0.75s

Test: UNRES_M_ss_static_min (Passed)
Build: devel Linux-ifort-MPI-DFA_no5D NEWCORR (dell15) on 2020-03-31 06:09:44
Repository revision: df5ad6c769f328b01ef15673420b789f998f0d83

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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   1455.99799830488     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          813
 # eval/s   1455.85440299610     
 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