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 243.13220893859656
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 6.9158611297607422 sec
Processor 0 BROADCAST time 5.9058666229248047E-003 REDUCE time 5.2194595336914062E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.5116672515869141E-003 BARRIER grad 2.9408931732177734E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 4.4308185577392578E-002 order[ 1 ] 0.34074211120605469 order[ 2 ] 2.3389588019185395E-310 order[ 3 ] 2.3389587925181501E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9528074921472758E-310 order[ 6 ] 2.3389596342286411E-310 order[ 7 ] 1.5437843799591064 order[ 8 ] 2.3389596352590644E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9528074921599239E-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