Tuesday, September 24 2024 01:23:48
UNRES
7.40s| Exit Value | 2 |
|---|
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2
2
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Calling MINIM_DC
SUMSL return code is 4 eval 2329
# eval/s 328.175160164777
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 7.23484706878662 sec
Processor 0 BROADCAST time 7.844448089599609E-003 REDUCE time
5.542922019958496E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
9.981870651245117E-003 BARRIER grad 4.909753799438477E-003
9.371304512023926E-002 order[ 1 ] 0.224472522735596 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 ] 1.33556580543518 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
CG processor 0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 42.6178, ene= 1.117422E+02
