CDash : UNRES

0.95s

Test: UNRES_M_ss_static_min (Failed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2020-06-09 04:45:45
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9

Exit Value	1

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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 hairpin
 after secondary
 Calling MINIM_DC
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is           8  eval          813
 # eval/s   1234.62825115680     
 refstr= T
 after hairpin
 after secondary
 SUMSL return code is           8  eval          813
 # eval/s   1183.64553348532     
 refstr= T
 after hairpin
 after secondary
CG processor   0 is finishing work.
CG processor   1 is finishing work.
initial energy=253.914 reference=254.013
difference  .099 from reference etot 254.013 greater than 0.01