Monday, September 23 2024 19:17:59
UNRES
1.16s
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2
2
ns= 0
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10006
# eval/s 13680.6702556735
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 ]
1.008152961730957E-002 order[ 1 ] 2.419948577880859E-004 order[
2 ] 0.000000000000000E+000 order[ 3 ]
Total wall clock time 0.884739160537720 sec
Processor 0 BROADCAST time 6.456375122070312E-004 REDUCE time
3.783464431762695E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
3.521442413330078E-004 BARRIER grad 2.434253692626953E-004
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.274777889251709 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
OK: absdiff= 6.84, ene= 1.475200E+02
