CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
1
1
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
after hairpin
after secondary
Calling MINIM_DC
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 882
# eval/s 1104.60825568170
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 882
# eval/s 901.071073858394
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=127.045 reference=127.044
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 1.693600, ene= -150.279800