Saturday, September 21 2024 12:59:58
UNRES
1.08s| Exit Value | 2 |
|---|
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2
2
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10006
# eval/s 12868.8904880207
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 ]
8.793115615844727E-003 order[ 1 ] 3.309249877929688E-004 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.261990308761597 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Total wall clock time 0.935591936111450 sec
Processor 0 BROADCAST time 7.083415985107422E-004 REDUCE time
5.241870880126953E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
3.263950347900391E-004 BARRIER grad 3.631114959716797E-004
CG processor 0 is finishing work.
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 55.0453, ene= -2.686478E+02
