Friday, September 20 2024 20:41:23
UNRES
1.14s| Exit Value | 2 |
|---|
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2
2
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10005
# eval/s 11730.4708204479
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 ]
8.460521697998047E-003 order[ 1 ] 2.188682556152344E-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 ] 0.463199853897095 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Total wall clock time 0.970242023468018 sec
Processor 0 BROADCAST time 4.656314849853516E-004 REDUCE time
3.083944320678711E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
3.194808959960938E-004 BARRIER grad 2.527236938476562E-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 46.274100, ene= 154.361200
