Friday, September 20 2024 22:35:59
UNRES
0.92s| Exit Value | 2 |
|---|
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2
2
indpdb= 25 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10005
# eval/s 15545.2779693792
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
Total wall clock time 0.757694959640503 sec
7.101058959960938E-003 order[ 1 ] 3.364086151123047E-004 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
Processor 0 BROADCAST time 6.122589111328125E-004 REDUCE time
4.211902618408203E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
4.251003265380859E-004 BARRIER grad 3.955364227294922E-004
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 7 ] 0.254274845123291 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
SUMSL return code
ERROR = SUMSL return code is not 4
but not failing this test, it is known problem with esccor
CRITICAL: energy is loo large 46.274100, ene= 154.361200
