CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
MPI: node= 0 iseed= -1111332
MPI: node= 1 iseed= -2222665
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
Call Read_Bridge.
ns= 4
ns= 4
dc 6.01000000000000
dc 6.01000000000000 15.3580000000000 -0.606000000000000
dc 6.01000000000000
dc 6.01000000000000 15.3580000000000 -0.606000000000000
after etotal
after etotal
after hairpin
after hairpin
after secondary
Calling MINIM_DC
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 786
# eval/s 1084.76484553223
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 786
# eval/s 1079.01386929187
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=134.706 reference=134.706
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= 1.961400, ene= -140.036200