CTEST_FULL_OUTPUT
Inside initialize thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
********************************************************************************
United-residue force field calculation - serial job.
********************************************************************************
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
Calling MINIM_DC
check_ecart before sumsl
check_ecart
SUMSL return code is 8 eval 680
# eval/s 1312.56904714952
refstr= T
********** Program terminated normally.
initial energy=134.838 reference=134.8382
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
WARNING: energy is somewhat different 6.365100, ene= -144.956700