CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG
STOP Bye Bye...
Processor 1 out of 2 rank in CG_COMM 1 size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize Processor 0 out of 2 rank in CG_COMM 0 size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize MPI: node= 1 iseed= -2222665
indpdb= 25 pdbref= T
MPI: node= 0 iseed= -1111332
Call Read_Bridge.
ns= 4
Processor 1 0 0 ivec_start 1 ivec_end 39
indpdb= 25 pdbref= T
after etotal
Calling MINIM_DC
check_ecart before sumsl
Call Read_Bridge.
ns= 4
Processor 0 0 0 ivec_start 1 ivec_end 39
after etotal
Calling MINIM_DC
check_ecart before sumsl
check_ecart
check_ecart
SUMSL return code is 8 eval 1119
# eval/s 1617.5777743695967
refstr= T
SUMSL return code is 8 eval 1119
# eval/s 1593.3657690016144
refstr= T
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=134.838 reference=134.8382
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 5.231200, ene= -146.090600