CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
MPI: node= 1 iseed= -2222665
MPI: node= 0 iseed= -1111332
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Call Read_Bridge.
ns= 4
dc 6.0099999999999998
dc 6.0099999999999998 15.358000000000001 -0.60600000000000009
dc 6.0099999999999998
dc 6.0099999999999998 15.358000000000001 -0.60600000000000009
after etotal
after etotal
after hairpin
after hairpin
after secondary
Calling MINIM_DC
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 251
# eval/s 581.19600350229052
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 251
# eval/s 578.98539626530692
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=638659400000000005463653039517717162577685969037590703947095135138145011499008 reference=134.706
difference 63865940000000000546365303951771716257768596903759070394709513513814\ 5011498873.294 from reference etot 134.706 greater than 0.01