mirror of https://github.com/Qiskit/qiskit-aer.git
92 lines
3.3 KiB
Python
92 lines
3.3 KiB
Python
# This code is part of Qiskit.
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#
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# (C) Copyright IBM 2018, 2019, 2020.
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#
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# This code is licensed under the Apache License, Version 2.0. You may
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# obtain a copy of this license in the LICENSE.txt file in the root directory
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# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
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#
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# Any modifications or derivative works of this code must retain this
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# copyright notice, and modified files need to carry a notice indicating
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# that they have been altered from the originals.
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"""
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Base class of Qiskit Aer Benchmarking
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"""
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import sys
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import numpy as np
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import multiprocessing
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from time import time
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from qiskit.aqua.algorithms import VQE
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from qiskit.aqua.components.optimizers import SLSQP
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from qiskit.chemistry.applications import MolecularGroundStateEnergy
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from qiskit.chemistry.components.initial_states import HartreeFock
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from qiskit.chemistry.components.variational_forms import UCCSD
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from qiskit.chemistry.drivers import PySCFDriver, UnitsType
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from qiskit_aer import AerProvider
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class UCCSDBenchmarkSuite:
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def __init__(self, name="uccsd_benchmark"):
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self.mol_strings = {
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"H2": ("H .0 .0 .0; H .0 .0 0.735", 2), # qubits: 2
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"LiH": ("H .0 .0 .0; Li .0 .0 2.5", 10), # qubits: 10
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"HF": ("H .0 .0 .0; F .0 .0 1.25", 10), # qubits: 10
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}
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self.timeout = 60 * 60
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self.__name__ = name
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self.params = [mol_name for mol_name in self.mol_strings]
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self.param_names = ["mol"]
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def _run_uccsd_vqe(self, mol_string, method, threads):
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driver = PySCFDriver(
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atom=mol_string, unit=UnitsType.ANGSTROM, charge=0, spin=0, basis="sto3g"
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)
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def cb_create_solver(
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num_particles, num_orbitals, qubit_mapping, two_qubit_reduction, z2_symmetries
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):
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initial_state = HartreeFock(
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num_orbitals,
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num_particles,
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qubit_mapping,
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two_qubit_reduction,
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z2_symmetries.sq_list,
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)
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var_form = UCCSD(
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num_orbitals=num_orbitals,
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num_particles=num_particles,
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initial_state=initial_state,
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qubit_mapping=qubit_mapping,
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two_qubit_reduction=two_qubit_reduction,
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z2_symmetries=z2_symmetries,
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)
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vqe = VQE(
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var_form=var_form,
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include_custom=True,
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optimizer=SLSQP(maxiter=5000),
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max_evals_grouped=256,
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)
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vqe.quantum_instance = AerProvider.get_backend("qasm_simulator")
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vqe.quantum_instance.backend_options["backend_options"] = {
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"max_parallel_experiments": threads,
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"method": method,
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}
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return vqe
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mgse = MolecularGroundStateEnergy(driver)
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result = mgse.compute_energy(cb_create_solver)
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def time_statevector(self, mol_name):
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threads = multiprocessing.cpu_count()
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mol_string = self.mol_strings[mol_name][0]
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qubit = self.mol_strings[mol_name][1]
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self._run_uccsd_vqe(mol_string, "statevector", threads)
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def time_statevector_gpu(self, mol_name):
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threads = 1
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mol_string = self.mol_strings[mol_name][0]
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qubit = self.mol_strings[mol_name][1]
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self._run_uccsd_vqe(mol_string, "statevector_gpu", threads)
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