CTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
MPI: node= 0 iseed= -3059742
ns= 0
indpdb= 25 pdbref= T
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 224.99793076654797
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 7.4909319877624512 sec
Processor 0 BROADCAST time 7.1115493774414062E-003 REDUCE time 4.6683549880981445E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 4.9479007720947266E-003 BARRIER grad 3.9572715759277344E-003
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 8.0910682678222656E-002 order[ 1 ] 0.47221541404724121 order[ 2 ] 2.3278679943436274E-310 order[ 3 ] 2.3278679849432380E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 6.9528793184219464E-310 order[ 6 ] 2.3278688266537290E-310 order[ 7 ] 1.6071112155914307 order[ 8 ] 2.3278688276841523E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9528793184345945E-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
7.61s
Show Command Line
Show Test Time Graph
