Monday, September 23 2024 19:16:00
UNRES
6.89s| 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 386.840079486416
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 6.67704796791077 sec
Processor 0 BROADCAST time 1.031255722045898E-002 REDUCE time
6.791639328002930E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.922535896301270E-002 BARRIER grad 4.546880722045898E-003
CG processor 0 is finishing work.
0.110992193222046 order[ 1 ] 0.273073673248291 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 ] 1.65440845489502 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
SUMSL return code 4
CRITICAL: energy is loo large 46.2729, ene= 1.080871E+02
