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 244.28583168085891
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 6.8822441101074219 sec
Processor 0 BROADCAST time 4.1415691375732422E-003 REDUCE time 3.4198522567749023E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.2572746276855469E-003 BARRIER grad 2.2952556610107422E-003
Processor 1 wait times for respective orders order[ 0 ] 4.4071197509765625E-002 order[ 1 ] 0.33791518211364746 order[ 2 ] 2.3696557623813586E-310 order[ 3 ] 2.3696557529809692E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9531368893544243E-310 order[ 6 ] 2.3696565946914601E-310 order[ 7 ] 1.5357246398925781 order[ 8 ] 2.3696565957218834E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9531368893670724E-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