Sunday, September 22 2024 19:35:43
UNRES
8.62s| Exit Value | 2 |
|---|
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2
2
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 2569
# eval/s 309.647375756886
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 ]
6.188726425170898E-002 order[ 1 ] 0.250606060028076 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 ] 1.45888543128967 order[
Total wall clock time 8.33738589286804 sec
Processor 0 BROADCAST time 6.612539291381836E-003 REDUCE time
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
5.165338516235352E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
2.52085113525391 BARRIER grad 1.335740089416504E-002
CG processor 0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 46.2729, ene= 1.080871E+02
