Tuesday, September 24 2024 09:20:31
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 448.336424109116
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 ]
0.106851577758789 order[ 1 ] 0.240889072418213 order[
Total wall clock time 5.76179313659668 sec
Processor 0 BROADCAST time 8.667469024658203E-003 REDUCE time
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 ] 1.43674397468567 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
5.987262725830078E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
4.595279693603516E-003 BARRIER grad 4.781007766723633E-003
CG processor 0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 46.2729, ene= 1.080871E+02
