Saturday, September 21 2024 10:27:03
UNRES
14.83s| Exit Value | 2 |
|---|
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2
2
ns= 0
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
Calling MINIM_DC
SUMSL return code is 4 eval 2329
# eval/s 162.166270472808
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 ]
0.436213970184326 order[ 1 ] 0.786658287048340 order[
2 ] 0.000000000000000E+000 order[ 3 ]
Total wall clock time 14.5795869827271 sec
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 4.74511814117432 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Processor 0 BROADCAST time 1.793551445007324E-002 REDUCE time
8.633041381835938E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
2.825546264648438E-002 BARRIER grad 7.753372192382812E-003
CG processor 0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 42.6178, ene= 1.117422E+02
