CDash : UNRES

0.24s

Test: UNRES_REGULAR (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-10-24 03:11:45

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Test output

CTEST_FULL_OUTPUT
 Processor           0  out of           1  rank in CG_COMM           0 
  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1
           0  size of FG_COMM1           1
Inside initialize thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                          
                                                                                
                                                                                
                    
          51  opened
 MPI: node=            0  iseed=               -3059742
 indpdb=          33  pdbref= T
 Call Read_Bridge.
 ns=           0
 Processor           0           0           0  ivec_start           1  ivec_end
          21
 Enter REGULARIZE: nnt=           2  nct=          21  nsup=          20 
  nstart_seq=           2  nstart_sup           2
Enter REGULARIZE: Initial RMS deviation:   0.00000
 Regularization: pass:           1
 Etot=   3.46290077430932     
 Regularization: pass:           2
 Etot= -0.648672670570072     
 Final minimization ... 
 Etot=  -5.07522959206433     
CG processor   0 is finishing work.
Bye Bye...
SUMSL return code 4
OK: absdiff= 0, ene= -5.258893