CTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
MPI: node= 0 iseed= -3059742
indpdb= 25 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
dc 65.917000000000002
dc 65.917000000000002 122.68350000000001 48.083500000000001
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 1663
# eval/s 225.21796266874694
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 7.4592149257659912 sec
Processor 0 BROADCAST time 5.9266090393066406E-003 REDUCE time 4.9939870834350586E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.7195682525634766E-003 BARRIER grad 2.5584697723388672E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 4.9085617065429688E-002 order[ 1 ] 0.35557246208190918 order[ 2 ] 2.3651617761248966E-310 order[ 3 ] 2.3651617667245071E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9532409404102593E-310 order[ 6 ] 2.3651626084349981E-310 order[ 7 ] 1.6471259593963623 order[ 8 ] 2.3651626094654214E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9532409404229074E-310
SUMSL return code 23
ERROR = SUMSL return code 23 is not 4
but not failing this test, it is known problem with esccor
CRITICAL: energy is loo large 40.293100, ene= -283.400000
7.51s
Show Command Line
Show Test Time Graph
