CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
Calling MINIM_DC
Calling MINIM_DC
LBFGS return code isIterLimit eval 10008
# eval/s 30267.8208732232
refstr= T
after hairpin
after secondary
LBFGS return code isIterLimit eval 10008
# eval/s 29830.9097118930
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=254.013 reference=254.013
SUMSL return code
ERROR = SUMSL return code is not 4
but not failing this test, it is known problem with dissulfides
CRITICAL: energy is loo large 209.164, ene= 4.484862E+01