CDash : UNRES

0.11s

Test: UNRES_MIN_INT (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-10-26 03:11:37

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Test output

CTEST_FULL_OUTPUT
Inside initialize thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                          
                                                                                
                                                                                
                    
          51  opened
********************************************************************************
United-residue force field calculation - serial job.
********************************************************************************
 indpdb=           0  pdbref= T
 Call Read_Bridge.
 ns=           0
 after etotal
 Calling MINIMIZE.
 SUMSL return code is           4  eval          354
 # eval/s   6624.62290903832     
 refstr= T
********** Program terminated normally.
SUMSL return code 4
OK: absdiff= .000550, ene= 47.880820