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R11301/out_qm9.txt
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Academic license - for non-commercial use only - expires 2022-06-20
Using license file /home/puck/gurobi.lic
Parameter OutputFlag unchanged
Value: 1 Min: 0 Max: 1 Default: 1
Variables added.
Constraints added.
Constructing objective function...
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Objective function set.
Model setup: 0.2502532389917178 s
Changed value of parameter DegenMoves to 2
Prev: -1 Min: -1 Max: 2000000000 Default: -1
Changed value of parameter ZeroHalfCuts to 2
Prev: -1 Min: -1 Max: 2 Default: -1
Changed value of parameter BQPCuts to 2
Prev: -1 Min: -1 Max: 2 Default: -1
Changed value of parameter RLTCuts to 2
Prev: -1 Min: -1 Max: 2 Default: -1
Changed value of parameter TimeLimit to 180.0
Prev: inf Min: 0.0 Max: inf Default: inf
Changed value of parameter PoolSolutions to 5
Prev: 10 Min: 1 Max: 2000000000 Default: 10
------------
Optimization
------------
Gurobi Optimizer version 9.1.2 build v9.1.2rc0 (linux64)
Thread count: 4 physical cores, 8 logical processors, using up to 8 threads
Optimize a model with 595 rows, 456 columns and 2152 nonzeros
Model fingerprint: 0x0c84ff71
Model has 3544 quadratic objective terms
Variable types: 0 continuous, 456 integer (456 binary)
Coefficient statistics:
Matrix range [1e+00, 1e+00]
Objective range [1e+00, 7e+00]
QObjective range [5e+00, 2e+04]
Bounds range [1e+00, 1e+00]
RHS range [1e+00, 1e+00]
Found heuristic solution: objective 33625.562363
Presolve removed 426 rows and 2 columns
Presolve time: 0.02s
Presolved: 3289 rows, 3574 columns, 10784 nonzeros
Variable types: 0 continuous, 3574 integer (3574 binary)
Root relaxation: objective -1.799637e+04, 2193 iterations, 0.05 seconds
Nodes | Current Node | Objective Bounds | Work
Expl Unexpl | Obj Depth IntInf | Incumbent BestBd Gap | It/Node Time
0 0 -17996.372 0 75 33625.5624 -17996.372 154% - 0s
H 0 0 32307.953298 -17996.372 156% - 0s
H 0 0 6154.0021481 -17996.372 392% - 0s
0 0 -14391.629 0 50 6154.00215 -14391.629 334% - 0s
0 0 -8340.7450 0 209 6154.00215 -8340.7450 236% - 0s
0 0 -5045.5767 0 171 6154.00215 -5045.5767 182% - 0s
H 0 0 6148.6032792 -5045.5767 182% - 0s
0 0 -1830.6740 0 177 6148.60328 -1830.6740 130% - 0s
0 0 -1830.6740 0 177 6148.60328 -1830.6740 130% - 0s
0 2 -1830.6740 0 177 6148.60328 -1830.6740 130% - 0s
* 120 21 15 6146.4638864 -1830.6740 130% 237 2s
* 138 15 16 6146.1889978 -1830.6740 130% 217 2s
* 142 15 20 6144.5279393 -1830.6740 130% 220 2s
Cutting planes:
Gomory: 2
Clique: 1
MIR: 44
Zero half: 29
RLT: 630
Explored 187 nodes (41406 simplex iterations) in 2.32 seconds
Thread count was 8 (of 8 available processors)
Solution count 5: 6144.53 6146.19 6146.46 ... 6154
Optimal solution found (tolerance 1.00e-04)
Best objective 6.144527939316e+03, best bound 6.144527939316e+03, gap 0.0000%
Optimization runtime: 2.322972059249878 s
Target has size 9
--------------------------------
Solution number 1 , objective value (square rooted) 78.38703935801847
Molecule frag_04_c00001 has been picked 1 time(s) ( size 2 , used 2.0 )
1: 1 -> 1, 2 -> 2,
Molecule frag_16_c00001 has been picked 1 time(s) ( size 7 , used 7.0 )
1: 1 -> 3, 2 -> 4, 3 -> 5, 4 -> 6, 5 -> 7, 6 -> 8, 7 -> 9,
--------------------------------
Solution number 2 , objective value (square rooted) 78.39763387904925
Molecule frag_08_c00001 has been picked 1 time(s) ( size 4 , used 2.0 )
1: 1 -> 1, 2 -> 2,
Molecule frag_16_c00001 has been picked 1 time(s) ( size 7 , used 7.0 )
1: 1 -> 3, 2 -> 4, 3 -> 5, 4 -> 6, 5 -> 7, 6 -> 8, 7 -> 9,
--------------------------------
Solution number 3 , objective value (square rooted) 78.39938702794768
Molecule frag_09_c00001 has been picked 1 time(s) ( size 4 , used 2.0 )
1: 1 -> 1, 2 -> 2,
Molecule frag_16_c00001 has been picked 1 time(s) ( size 7 , used 7.0 )
1: 1 -> 3, 2 -> 4, 3 -> 5, 4 -> 6, 5 -> 7, 6 -> 8, 7 -> 9,
--------------------------------
Solution number 4 , objective value (square rooted) 78.4130300347006
Molecule frag_14_c00001 has been picked 1 time(s) ( size 6 , used 2.0 )
1: 5 -> 2, 6 -> 1,
Molecule frag_16_c00001 has been picked 1 time(s) ( size 7 , used 7.0 )
1: 1 -> 3, 2 -> 4, 3 -> 5, 4 -> 6, 5 -> 7, 6 -> 8, 7 -> 9,
--------------------------------
Solution number 5 , objective value (square rooted) 78.44744832097405
Molecule frag_16_c00001 has been picked 2 time(s) ( size 7 , used 9.0 )
1: 3 -> 2, 4 -> 1,
2: 1 -> 3, 2 -> 4, 3 -> 5, 4 -> 6, 5 -> 7, 6 -> 8, 7 -> 9,
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