CDash : UNRES

0.91s

Test: UNRES_REGULAR (Passed)
Build: Linux-pgi-MPI-E0LL2Y (dell15) on 2017-09-28 22:51:19
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
Warning: ieee_inexact is signaling
********** Program terminated normally.
Inside initialize thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 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=   -6.893712867097147     
 Regularization: pass:            2
 Etot=   -8.588904380170572     
 Final minimization ... 
 Etot=   -9.046224488454708     
SUMSL return code 9
WARNING = SUMSL return code 9 is not 4
OK: absdiff= 5.181517, ene= -10.440410