CDash : UNRES

1.01s

Test: UNRES_M_REGULAR (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-15 04:19:56
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=           33  pdbref=  T
 Call Read_Bridge.
 ns=            0
 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=    3.407482490794450     
 Regularization: pass:            2
 Etot=   0.9440298788082551     
 Final minimization ... 
 Etot=   -5.075279751630315     
CG processor   0 is finishing work.
Warning: ieee_inexact is signaling
Bye Bye...
SUMSL return code 4
OK: absdiff= .002036, ene= -5.260929