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ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.
MIT License
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SCIP Solver Error #410

Open stephaniewankowicz opened 3 months ago

stephaniewankowicz commented 3 months ago

Getting the following error for resi I,138 in the attached PDB:

2024-03-24 10:35:45,221 [CRITICAL] MainProcess qfit.qfit_protein : multiprocessing.pool.RemoteTraceback: """ Traceback (most recent call last): File "/wynton/home/fraserlab/swankowicz/anaco 8P6V_box.pdb.txt nda3/envs/qfit_open/lib/python3.10/multiprocessing/pool.py", line 125, in worker result = (True, func(*args, *kwds)) File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/qfit/qfit_protein.py", line 853, in _run_qfit_residue qfit.run() File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/qfit/qfit.py", line 653, in run self._sample_sidechain() File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/qfit/qfit.py", line 1112, in _sample_sidechain self._solve_miqp( File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/qfit/qfit.py", line 345, in _solve_miqp solver.solve_miqp(cardinality=cardinality, threshold=threshold) File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/qfit/solvers.py", line 224, in solve_miqp prob.solve(solver="SCIP") File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/cvxpy/problems/problem.py", line 503, in solve return solve_func(self, args, **kwargs) File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/cvxpy/problems/problem.py", line 1086, in _solve self.unpack_results(solution, solving_chain, inverse_data) File "/wynton/home/fraserlab/swankowicz/anaconda3/envs/qfit_open/lib/python3.10/site-packages/cvxpy/problems/problem.py", line 1411, in unpack_results raise error.SolverError( cvxpy.error.SolverError: Solver 'SCIP' failed. Try another solver, or solve with verbose=True for more information. """

The above exception was the direct cause of the following exception:

cvxpy.error.SolverError: Solver 'SCIP' failed. Try another solver, or solve with verbose=True for more information.