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run KETCHUP-main.py get EXIT: Restoration Failed! #1

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@lyh-5676

hi there, have a problem when i use KETCHUP-main.py. here's my model_options :

model_options = {
        'input_format': 'kfit',
        'directory_model': os.path.join(base_dir, "data"),
        'filename_model': 'file1.xlsx',
        'filename_mechanism': 'file2.xlsx',
        'directory_data': os.path.join(base_dir, "data"),
        'filename_data': 'file3.xlsx',
        'directory_output': base_dir,
        'model_name': 'file4'
    }

file1.xlsx have 1500+ reactions in total, much larger than models tested in example/data (potential cause 1?).

Additionally, i have some very small flux value, like 1e-50, in file3.xlsx (potential cause 2?). Below is file3.xlsx :

Image

Then i run KETCHUP-main.py, it ran very slow. finally, it exit with this error message :

This is Ipopt version 3.14.0, running with linear solver MUMPS 5.2.1.

Number of nonzeros in equality constraint Jacobian...: 2173369
Number of nonzeros in inequality constraint Jacobian.: 0
Number of nonzeros in Lagrangian Hessian.............: 708044

Total number of variables............................: 647336
variables with only lower bounds: 373926
variables with lower and upper bounds: 238934
variables with only upper bounds: 0
Total number of equality constraints.................: 625085
Total number of inequality constraints...............: 0
inequality constraints with only lower bounds: 0
inequality constraints with lower and upper bounds: 0
inequality constraints with only upper bounds: 0

iter objective inf_pr inf_du lg(mu) ||d|| lg(rg) alpha_du alpha_pr ls
0 1.3999986e-01 2.65e+09 1.00e+00 0.0 0.00e+00 - 0.00e+00 0.00e+00 0
1r 1.3999986e-01 2.65e+09 9.61e+02 3.1 0.00e+00 - 0.00e+00 2.15e-18R 53
2r 1.3999986e-01 2.38e+14 9.62e+02 1.4 3.46e+03 - 1.65e-02 8.49e-48f153
...
...
94r 1.3999986e-01 3.28e+15 4.07e+04 2.5 4.18e+07 - 2.62e-02 6.58e-51f163
95r 1.3999986e-01 3.28e+15 4.07e+04 2.5 4.15e+07 - 0.00e+00 7.25e-34R106
96r 1.3999986e-01 3.28e+15 4.06e+04 2.5 4.15e+07 - 3.33e-02 5.03e-51f163
Cannot call restoration phase at point that is almost feasible for the restoration NLP (violation 1.169741e-06).
Abort in line search due to no other fall back.
Step computation in the restoration phase failed.
...
...
EXIT: Restoration Failed!

now, should i cut down the model scale or what to make it work? i can't fix these small numbers in file3.xlsx.

cordially.

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