CTEST_FULL_OUTPUT
STOP BySTOP e Bye..B.y
e Bye...
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 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 MPI: node= 0 iseed= -1111332
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Processor 0 0 0 ivec_start 1 ivec_end 39
after etotal
Calling MINIM_DC
check_ecart before sumsl
MPI: node= 1 iseed= -2222665
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Processor 1 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 593
# eval/s 414.35383188067010
refstr= T
SUMSL return code is 8 eval 593
# eval/s 416.19119724679069
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= 5.712300, ene= -145.609500