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 242.31721025210604
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 6.9377841949462891 sec
Processor 0 BROADCAST time 4.3575763702392578E-003 REDUCE time 3.8203001022338867E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.2284259796142578E-003 BARRIER grad 3.0004978179931641E-003
Processor 1 wait times for respective orders order[ 0 ] 4.3897151947021484E-002 order[ 1 ] 0.33906698226928711 order[ 2 ] 2.3675400311340892E-310 order[ 3 ] 2.3675400217336998E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9532754252476855E-310 order[ 6 ] 2.3675408634441908E-310 order[ 7 ] 1.5351154804229736 order[ 8 ] 2.3675408644746141E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9532754252603336E-310
CG processor 0 is finishing work.
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
6.99s
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