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 242.45467230286710
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 6.9226331710815430 sec
Processor 0 BROADCAST time 5.1476955413818359E-003 REDUCE time 4.4679641723632812E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.9401054382324219E-003 BARRIER grad 3.1452178955078125E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 3.8936376571655273E-002 order[ 1 ] 0.33913064002990723 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.5296688079833984 order[ 8 ] 2.3648853566595705E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9533463276116933E-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
6.98s
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