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 242.84845450762182
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 6.9140400886535645 sec
Processor 0 BROADCAST time 4.4395923614501953E-003 REDUCE time 4.0244579315185547E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 2.9344558715820312E-003 BARRIER grad 2.3818016052246094E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 3.8693666458129883E-002 order[ 1 ] 0.33772873878479004 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.5279431343078613 order[ 8 ] 2.3425276496709569E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9531738636597876E-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 10.934000, ene= -312.759100
6.97s
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