Friday, September 20 2024 22:25:14
UNRES
1.22s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
2
2
indpdb= 25 pdbref= T
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
ns= 0
Call Read_Bridge.
ns= 0
Calling MINIM_DC
SUMSL return code is 4 eval 941
# eval/s 1055.40839542276
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 ]
1.926445960998535E-002 order[ 1 ] 3.532075881958008E-002 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 ] 0.198900222778320 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Total wall clock time 1.00309300422668 sec
Processor 0 BROADCAST time 1.820564270019531E-003 REDUCE time
9.463548660278320E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.935720443725586E-003 BARRIER grad 1.234769821166992E-003
CG processor 0 is finishing work.
Bye Bye...
Bye Bye...
SUMSL return code 4
SUMSL return code 4
WARNING: energy is somewhat different .171820, ene= 70.174820
WARNING: energy is somewhat different .171820, ene= 70.174820
