Friday, September 20 2024 04:34:00
UNRES
5.88s| Exit Value | 2 |
|---|
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2
2
indpdb= 25 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 2569
# eval/s 448.444814403949
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 ]
0.107002496719360 order[ 1 ] 0.241619586944580 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
Total wall clock time 5.76049995422363 sec
0.000000000000000E+000 order[ 7 ] 1.43622684478760 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Processor 0 BROADCAST time 8.650064468383789E-003 REDUCE time
5.771040916442871E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
6.845712661743164E-003 BARRIER grad 4.589080810546875E-003
CG processor 0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 46.2729, ene= 1.080871E+02
