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Question on UCCSD with VQEClient/VQEProgram runtime

See original GitHub issue

Environment

Qiskit Nature version: 0.2.2
Python version: 3.9.7
Operating system: x86_64 GNU/Linux

What is happening?

I tried to set up UCCSD ansatz to for VQEProgram, but the ansatz failed to be transpiled in the remote. In particular, I am seeing the following exception being returned:

qiskit.exceptions.QiskitError: "Cannot unroll the circuit to the given basis, [...]. 
Instruction circuit-36_dg not found in equivalence library and no rule found to expand."

Full traceback from the remote runtime

Unable to retrieve job result. Job c6kq1hmgkavn0ge2re20 has failed:
2021-12-03T04:45:09.200181663Z /usr/local/lib/python3.8/site-packages/sympy/core/expr.py:2451: SymPyDeprecationWarning: 
2021-12-03T04:45:09.200348792Z 
2021-12-03T04:45:09.200524237Z expr_free_symbols method has been deprecated since SymPy 1.9. See
2021-12-03T04:45:09.200682015Z https://github.com/sympy/sympy/issues/21494 for more info.
2021-12-03T04:45:09.200831012Z 
2021-12-03T04:45:09.200966077Z   SymPyDeprecationWarning(feature="expr_free_symbols method",
2021-12-03T04:45:09.594976991Z concurrent.futures.process._RemoteTraceback: 
2021-12-03T04:45:09.595027186Z """
2021-12-03T04:45:09.595041516Z Traceback (most recent call last):
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/concurrent/futures/process.py", line 239, in _process_worker
2021-12-03T04:45:09.595041516Z     r = call_item.fn(*call_item.args, **call_item.kwargs)
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/concurrent/futures/process.py", line 198, in _process_chunk
2021-12-03T04:45:09.595041516Z     return [fn(*args) for args in chunk]
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/concurrent/futures/process.py", line 198, in <listcomp>
2021-12-03T04:45:09.595041516Z     return [fn(*args) for args in chunk]
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/site-packages/qiskit/tools/parallel.py", line 93, in _task_wrapper
2021-12-03T04:45:09.595041516Z     return task(value, *task_args, **task_kwargs)
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/site-packages/qiskit/compiler/transpiler.py", line 380, in _transpile_circuit
2021-12-03T04:45:09.595041516Z     result = pass_manager.run(
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/passmanager.py", line 216, in run
2021-12-03T04:45:09.595041516Z     return self._run_single_circuit(circuits, output_name, callback)
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/passmanager.py", line 272, in _run_single_circuit
2021-12-03T04:45:09.595041516Z     result = running_passmanager.run(circuit, output_name=output_name, callback=callback)
2021-12-03T04:45:09.595041516Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/runningpassmanager.py", line 123, in run
2021-12-03T04:45:09.595045032Z     dag = self._do_pass(pass_, dag, passset.options)
2021-12-03T04:45:09.595052061Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/runningpassmanager.py", line 154, in _do_pass
2021-12-03T04:45:09.595058972Z     dag = self._run_this_pass(pass_, dag)
2021-12-03T04:45:09.595065567Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/runningpassmanager.py", line 166, in _run_this_pass
2021-12-03T04:45:09.595072169Z     new_dag = pass_.run(dag)
2021-12-03T04:45:09.595078798Z   File "/usr/local/lib/python3.8/site-packages/qiskit/transpiler/passes/basis/unroll_custom_definitions.py", line 86, in run
2021-12-03T04:45:09.595086892Z     raise QiskitError(
2021-12-03T04:45:09.595094816Z qiskit.exceptions.QiskitError: "Cannot unroll the circuit to the given basis, ['ccx', 'cp', 'cswap', 'csx', 'cu', 'cu1', 'cu2', 'cu3', 'cx', 'cy', 'cz', 'delay', 'diagonal', 'h', 'id', 'initialize', 'mcp', 'mcphase', 'mcr', 'mcrx', 'mcry', 'mcrz', 'mcswap', 'mcsx', 'mcu', 'mcu1', 'mcu2', 'mcu3', 'mcx', 'mcx_gray', 'mcy', 'mcz', 'multiplexer', 'p', 'pauli', 'r', 'rx', 'rxx', 'ry', 'ryy', 'rz', 'rzx', 'rzz', 's', 'sdg', 'swap', 'sx', 'sxdg', 't', 'tdg', 'u', 'u1', 'u2', 'u3', 'unitary', 'x', 'y', 'z', 'kraus', 'roerror', 'save_amplitudes', 'save_amplitudes_sq', 'save_density_matrix', 'save_expval', 'save_expval_var', 'save_probabilities', 'save_probabilities_dict', 'save_stabilizer', 'save_state', 'save_statevector', 'save_statevector_dict', 'set_density_matrix', 'set_stabilizer', 'set_statevector', 'snapshot']. Instruction circuit-36_dg not found in equivalence library and no rule found to expand."
2021-12-03T04:45:09.595118810Z """
2021-12-03T04:45:09.595125597Z 
2021-12-03T04:45:09.595148382Z The above exception was the direct cause of the following exception:
2021-12-03T04:45:09.595159003Z 
2021-12-03T04:45:09.595170745Z Traceback (most recent call last):
2021-12-03T04:45:09.595182298Z   File "/code/program_starter.py", line 78, in <module>
2021-12-03T04:45:09.595192361Z     final_result = main(backend, messenger, **user_params)
2021-12-03T04:45:09.595203801Z   File "/code/program.py", line 1072, in main
2021-12-03T04:45:09.595374269Z     result, history = vqe.compute_minimum_eigenvalue(operator, aux_operators)
2021-12-03T04:45:09.595385749Z   File "/code/program.py", line 904, in compute_minimum_eigenvalue
2021-12-03T04:45:09.595395474Z     opt_params, opt_value, nfev = optimizer.optimize(
2021-12-03T04:45:09.595401207Z   File "/code/program.py", line 646, in optimize
2021-12-03T04:45:09.595407494Z     return self._minimize(objective_function, initial_point)
2021-12-03T04:45:09.595413165Z   File "/code/program.py", line 525, in _minimize
2021-12-03T04:45:09.595417922Z     get_learning_rate, get_perturbation = self.calibrate(loss_callable, initial_point)
2021-12-03T04:45:09.595424860Z   File "/code/program.py", line 325, in calibrate
2021-12-03T04:45:09.595434722Z     delta = loss(initial_point + c * pert) - \
2021-12-03T04:45:09.595436303Z   File "/code/program.py", line 511, in loss_callable
2021-12-03T04:45:09.595451383Z     return self._sampler.convert(loss, params=value_dict).eval().real
2021-12-03T04:45:09.595461759Z   File "/usr/local/lib/python3.8/site-packages/qiskit/opflow/converters/circuit_sampler.py", line 218, in convert
2021-12-03T04:45:09.595474656Z     sampled_statefn_dicts = self.sample_circuits(circuit_sfns=circs, param_bindings=p_b)
2021-12-03T04:45:09.595516125Z   File "/usr/local/lib/python3.8/site-packages/qiskit/opflow/converters/circuit_sampler.py", line 329, in sample_circuits
2021-12-03T04:45:09.595528665Z     results = self.quantum_instance.execute(
2021-12-03T04:45:09.595541801Z   File "/usr/local/lib/python3.8/site-packages/qiskit/utils/quantum_instance.py", line 398, in execute
2021-12-03T04:45:09.595546844Z     circuits = self.transpile(circuits)
2021-12-03T04:45:09.595546844Z   File "/usr/local/lib/python3.8/site-packages/qiskit/utils/quantum_instance.py", line 345, in transpile
2021-12-03T04:45:09.595605722Z     transpiled_circuits = compiler.transpile(
2021-12-03T04:45:09.595622338Z   File "/usr/local/lib/python3.8/site-packages/qiskit/compiler/transpiler.py", line 293, in transpile
2021-12-03T04:45:09.595640749Z     circuits = parallel_map(_transpile_circuit, list(zip(circuits, transpile_args)))
2021-12-03T04:45:09.595654453Z   File "/usr/local/lib/python3.8/site-packages/qiskit/tools/parallel.py", line 164, in parallel_map
2021-12-03T04:45:09.595654453Z     raise error
2021-12-03T04:45:09.595696117Z   File "/usr/local/lib/python3.8/site-packages/qiskit/tools/parallel.py", line 154, in parallel_map
2021-12-03T04:45:09.595709633Z     results = list(future)
2021-12-03T04:45:09.595715634Z   File "/usr/local/lib/python3.8/concurrent/futures/process.py", line 484, in _chain_from_iterable_of_lists
2021-12-03T04:45:09.595724927Z     for element in iterable:
2021-12-03T04:45:09.595732138Z   File "/usr/local/lib/python3.8/concurrent/futures/_base.py", line 619, in result_iterator
2021-12-03T04:45:09.595740561Z     yield fs.pop().result()
2021-12-03T04:45:09.595740561Z   File "/usr/local/lib/python3.8/concurrent/futures/_base.py", line 437, in result
2021-12-03T04:45:09.595740561Z     return self.__get_result()
2021-12-03T04:45:09.595740561Z   File "/usr/local/lib/python3.8/concurrent/futures/_base.py", line 389, in __get_result
2021-12-03T04:45:09.595740561Z     raise self._exception
2021-12-03T04:45:09.595740561Z qiskit.exceptions.QiskitError: "Cannot unroll the circuit to the given basis, ['ccx', 'cp', 'cswap', 'csx', 'cu', 'cu1', 'cu2', 'cu3', 'cx', 'cy', 'cz', 'delay', 'diagonal', 'h', 'id', 'initialize', 'mcp', 'mcphase', 'mcr', 'mcrx', 'mcry', 'mcrz', 'mcswap', 'mcsx', 'mcu', 'mcu1', 'mcu2', 'mcu3', 'mcx', 'mcx_gray', 'mcy', 'mcz', 'multiplexer', 'p', 'pauli', 'r', 'rx', 'rxx', 'ry', 'ryy', 'rz', 'rzx', 'rzz', 's', 'sdg', 'swap', 'sx', 'sxdg', 't', 'tdg', 'u', 'u1', 'u2', 'u3', 'unitary', 'x', 'y', 'z', 'kraus', 'roerror', 'save_amplitudes', 'save_amplitudes_sq', 'save_density_matrix', 'save_expval', 'save_expval_var', 'save_probabilities', 'save_probabilities_dict', 'save_stabilizer', 'save_state', 'save_statevector', 'save_statevector_dict', 'set_density_matrix', 'set_stabilizer', 'set_statevector', 'snapshot']. Instruction circuit-36_dg not found in equivalence library and no rule found to expand."

How can we reproduce the issue?

Here's my main setup (click to expand)

from qiskit_nature.drivers import Molecule                                         
from qiskit_nature.drivers.second_quantization import PSI4Driver                   
                                                                                   
molecule = Molecule(geometry=                                                      
    [['H', [0., 0., 0.]],
     ['H', [0., 0., 0.735]]],                                                      
    charge=0, multiplicity=1)
        
basis = "sto-3g"                                                                   
driver = PSI4Driver.from_molecule(molecule=molecule, basis=basis)                  
        
        
from qiskit.utils import QuantumInstance                                           
from qiskit import IBMQ
        
IBMQ.load_account()                                                                
provider = IBMQ.get_provider(group='open')                                         
backend = provider.get_backend("ibmq_qasm_simulator")                              
qins = QuantumInstance(
    backend=backend,
    shots=1024,                                                                    
    optimization_level=2,
)                                                                                  


# VQEClientUCCFactory is adapted from VQEUCCFactory; see below                     
solver = VQEClientUCCFactory(
    quantum_instance=qins,
    provider=provider,                                                             
    optimizer=dict(
        name="QN-SPSA", 
        maxiter=100,                                                               
        resamplings={1: 100},
    ),  
    measurement_error_mitigation=True,
)

def solve(driver, solver):                                                         
    from qiskit_nature.problems.second_quantization.electronic import ElectronicStructureProblem
    problem = ElectronicStructureProblem(driver)                                   
        
    from qiskit_nature.mappers.second_quantization import ParityMapper             
    from qiskit_nature.converters.second_quantization import QubitConverter        
    mapper = ParityMapper()
    converter = QubitConverter(mapper=mapper, two_qubit_reduction=True)            
        
    from qiskit_nature.algorithms import GroundStateEigensolver                    
    calc = GroundStateEigensolver(converter, solver)

    r = calc.solve(problem)
    return r.total_energies[0],

if __name__ == "__main__":
    print(solve(driver, solver))

The VQEClientUCCFactory mentioned in the code above is a copy of VQEUCCFactory with method get_solver modified

https://github.com/Qiskit/qiskit-nature/blob/8d2b0eb1606620ed45211653ed20ab78335a39bc/qiskit_nature/algorithms/ground_state_solvers/minimum_eigensolver_factories/vqe_ucc_factory.py#L187-L233

the VQE constructor part of VQEUCCFactory.get_solver is changed to:

        vqe = VQEProgram(
            ansatz=ansatz,
            optimizer=self.optimizer,
            initial_point=self.initial_point,
            backend=self.quantum_instance.backend,
            #gradient=self.gradient,
            #expectation=self.expectation,
            #include_custom=self.include_custom,
            callback=self.callback,
            shots=self.quantum_instance._run_config.shots,
            **self._kwargs, # provider, measurement_error_mitigation
        )

        return vqe

What should happen?

It should run and return the final total energy.

Any suggestions?

Not sure why there is a gate named circuit-36_dg found during the transpilation (see the exception above).

Issue Analytics

State:
Created 2 years ago
Comments:6 (3 by maintainers)

Top GitHub Comments

1reaction

Cryoriscommented, Dec 20, 2021

The source of it was Qiskit/qiskit-terra#7429, which still persists, but since Qiskit 0.33 the UCCSD ansatz uses the new PauliEvolutionGate which doesn’t construct a circuit with empty gates anymore. So in brief, this bug shouldn’t exist anymore.

I tried it myself but, @Contextualist, would you mind trying with the latest Qiskit versions as well?

1reaction

Contextualistcommented, Dec 3, 2021

I just tried it out. I can confirm that the basis gate transpilation workaround works. Thanks!