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= 0 iseed= -1111332
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
dc 6.0099999999999998
dc 6.0099999999999998 15.358000000000001 -0.60600000000000009
after etotal
after hairpin
after secondary
Calling MINIM_DC
MPI: node= 0 iseed= -1111332
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
dc 6.0099999999999998
dc 6.0099999999999998 15.358000000000001 -0.60600000000000009
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 251
# eval/s 1352.8709603434822
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
SUMSL return code is 8 eval 251
# eval/s 1359.5636457187736
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
initial energy=5.23481 reference=134.706
difference 129.47119 from reference etot 134.706 greater than 0.01