qoro-divi 0.2.0b1__py3-none-any.whl → 0.6.0__py3-none-any.whl

divi/backends/_parallel_simulator.py

@@ -0,0 +1,486 @@
+# SPDX-FileCopyrightText: 2025-2026 Qoro Quantum Ltd <divi@qoroquantum.de>
+#
+# SPDX-License-Identifier: Apache-2.0
+
+import bisect
+import heapq
+import logging
+import os
+import threading
+from functools import partial
+from multiprocessing import Pool, current_process
+from typing import Any, Literal
+from warnings import warn
+
+from qiskit import QuantumCircuit, transpile
+from qiskit.converters import circuit_to_dag
+from qiskit.dagcircuit import DAGOpNode
+from qiskit.providers import Backend
+from qiskit.transpiler.exceptions import TranspilerError
+from qiskit_aer import AerSimulator
+from qiskit_aer.noise import NoiseModel
+
+from divi.backends import CircuitRunner
+from divi.backends._execution_result import ExecutionResult
+
+logger = logging.getLogger(__name__)
+
+# Suppress stevedore extension loading errors (harmless Qiskit v2/provider issue)
+_stevedore_logger = logging.getLogger("stevedore.extension")
+_stevedore_logger.setLevel(logging.CRITICAL)
+
+# Lazy-loaded fake backends dictionary
+_FAKE_BACKENDS_CACHE: dict[int, list] | None = None
+
+
+def _load_fake_backends() -> dict[int, list]:
+    """Lazy load and return the FAKE_BACKENDS dictionary."""
+    global _FAKE_BACKENDS_CACHE
+    if _FAKE_BACKENDS_CACHE is None:
+        # Import only when actually needed
+        import qiskit_ibm_runtime.fake_provider as fk_prov
+
+        _FAKE_BACKENDS_CACHE = {
+            5: [
+                fk_prov.FakeManilaV2,
+                fk_prov.FakeBelemV2,
+                fk_prov.FakeLimaV2,
+                fk_prov.FakeQuitoV2,
+            ],
+            7: [
+                fk_prov.FakeOslo,
+                fk_prov.FakePerth,
+                fk_prov.FakeLagosV2,
+                fk_prov.FakeNairobiV2,
+            ],
+            15: [fk_prov.FakeMelbourneV2],
+            16: [fk_prov.FakeGuadalupeV2],
+            20: [
+                fk_prov.FakeAlmadenV2,
+                fk_prov.FakeJohannesburgV2,
+                fk_prov.FakeSingaporeV2,
+                fk_prov.FakeBoeblingenV2,
+            ],
+            27: [
+                fk_prov.FakeGeneva,
+                fk_prov.FakePeekskill,
+                fk_prov.FakeAuckland,
+                fk_prov.FakeCairoV2,
+            ],
+        }
+    return _FAKE_BACKENDS_CACHE
+
+
+def _find_best_fake_backend(circuit: QuantumCircuit) -> list[type] | None:
+    """Find the best fake backend for a given circuit based on qubit count.
+
+    Args:
+        circuit: QuantumCircuit to find a backend for.
+
+    Returns:
+        List of fake backend classes that support the circuit's qubit count, or None.
+    """
+    fake_backends = _load_fake_backends()
+    keys = sorted(fake_backends.keys())
+    pos = bisect.bisect_left(keys, circuit.num_qubits)
+    return fake_backends[keys[pos]] if pos < len(keys) else None
+
+
+# Public API for backward compatibility with tests
+def __getattr__(name: str):
+    """Lazy load FAKE_BACKENDS when accessed."""
+    if name == "FAKE_BACKENDS":
+        return _load_fake_backends()
+    raise AttributeError(f"module {__name__!r} has no attribute {name!r}")
+
+
+def _default_n_processes() -> int:
+    """Get a reasonable default number of processes based on CPU count.
+
+    Uses most available CPU cores (all minus 1, or 3/4 if many cores), with a
+    minimum of 2 and maximum of 16. This provides good parallelism while leaving
+    one core free for system processes.
+
+    If running in a different thread or process (not the main thread/process),
+    limits to 2 cores to avoid resource contention.
+
+    Returns:
+        int: Default number of processes to use.
+    """
+    # Check if we're running in a worker thread or subprocess
+    is_main_thread = threading.current_thread() is threading.main_thread()
+    is_main_process = current_process().name == "MainProcess"
+
+    if not (is_main_thread and is_main_process):
+        # Running in a different thread/process - limit to 2 cores
+        return 2
+
+    cpu_count = os.cpu_count() or 4
+    if cpu_count <= 4:
+        # For small systems, use all but 1 core
+        return max(2, cpu_count - 1)
+    elif cpu_count <= 16:
+        # For medium systems, use all but 1 core
+        return cpu_count - 1
+    else:
+        # For large systems, use 3/4 of cores, capped at 16
+        return min(16, int(cpu_count * 0.75))
+
+
+class ParallelSimulator(CircuitRunner):
+    def __init__(
+        self,
+        n_processes: int | None = None,
+        shots: int = 5000,
+        simulation_seed: int | None = None,
+        qiskit_backend: Backend | Literal["auto"] | None = None,
+        noise_model: NoiseModel | None = None,
+        _deterministic_execution: bool = False,
+    ):
+        """
+        A parallel wrapper around Qiskit's AerSimulator using Qiskit's built-in parallelism.
+
+        Args:
+            n_processes (int | None, optional): Number of parallel processes to use for transpilation and
+                simulation. If None, defaults to half the available CPU cores (min 2, max 8).
+                Controls both transpilation parallelism and execution parallelism. The execution
+                parallelism mode (circuit or shot) is automatically selected based on workload
+                characteristics.
+            shots (int, optional): Number of shots to perform. Defaults to 5000.
+            simulation_seed (int, optional): Seed for the random number generator to ensure reproducibility. Defaults to None.
+            qiskit_backend (Backend | Literal["auto"] | None, optional): A Qiskit backend to initiate the simulator from.
+            If "auto" is passed, the best-fit most recent fake backend will be chosen for the given circuit.
+            Defaults to None, resulting in noiseless simulation.
+            noise_model (NoiseModel, optional): Qiskit noise model to use in simulation. Defaults to None.
+        """
+        super().__init__(shots=shots)
+
+        if qiskit_backend and noise_model:
+            warn(
+                "Both `qiskit_backend` and `noise_model` have been provided."
+                " `noise_model` will be ignored and the model from the backend will be used instead."
+            )
+
+        if n_processes is None:
+            n_processes = _default_n_processes()
+        elif n_processes < 1:
+            raise ValueError(f"n_processes must be >= 1, got {n_processes}")
+        self._n_processes = n_processes
+        self.simulation_seed = simulation_seed
+        self.qiskit_backend = qiskit_backend
+        self.noise_model = noise_model
+        self._deterministic_execution = _deterministic_execution
+
+    def set_seed(self, seed: int):
+        """
+        Set the random seed for circuit simulation.
+
+        Args:
+            seed (int): Seed value for the random number generator used in simulation.
+        """
+        self.simulation_seed = seed
+
+    @property
+    def n_processes(self) -> int:
+        """
+        Get the current number of parallel processes.
+
+        Returns:
+            int: Number of parallel processes configured.
+        """
+        return self._n_processes
+
+    @n_processes.setter
+    def n_processes(self, value: int):
+        """
+        Set the number of parallel processes (>= 1).
+
+        Controls:
+        - Transpilation parallelism
+        - OpenMP thread limit
+        - Circuit/Shot parallelism (auto-selected based on workload)
+        """
+        if value < 1:
+            raise ValueError(f"n_processes must be >= 1, got {value}")
+        self._n_processes = value
+
+    @property
+    def supports_expval(self) -> bool:
+        """
+        Whether the backend supports expectation value measurements.
+        """
+        return False
+
+    @property
+    def is_async(self) -> bool:
+        """
+        Whether the backend executes circuits asynchronously.
+        """
+        return False
+
+    def _resolve_backend(self, circuit: QuantumCircuit | None = None) -> Backend | None:
+        """Resolve the backend from qiskit_backend setting."""
+        if self.qiskit_backend == "auto":
+            if circuit is None:
+                raise ValueError(
+                    "Circuit must be provided when qiskit_backend is 'auto'"
+                )
+            backend_list = _find_best_fake_backend(circuit)
+            if backend_list is None:
+                raise ValueError(
+                    f"No fake backend available for circuit with {circuit.num_qubits} qubits. "
+                    "Please provide an explicit backend or use a smaller circuit."
+                )
+            return backend_list[-1]()
+        return self.qiskit_backend
+
+    def _create_simulator(self, resolved_backend: Backend | None) -> AerSimulator:
+        """Create an AerSimulator instance from a resolved backend or noise model."""
+        return (
+            AerSimulator.from_backend(resolved_backend)
+            if resolved_backend is not None
+            else AerSimulator(noise_model=self.noise_model)
+        )
+
+    def _execute_circuits_deterministically(
+        self,
+        circuit_labels: list[str],
+        transpiled_circuits: list[QuantumCircuit],
+        resolved_backend: Backend | None,
+    ) -> list[dict[str, Any]]:
+        """
+        Execute circuits individually for debugging purposes.
+
+        This method ensures deterministic results by running each circuit with its own
+        simulator instance and the same seed. Used internally for debugging non-deterministic
+        behavior in batch execution.
+
+        Args:
+            circuit_labels: List of circuit labels
+            transpiled_circuits: List of transpiled QuantumCircuit objects
+            resolved_backend: Resolved backend for simulator creation
+
+        Returns:
+            List of result dictionaries
+        """
+        results = []
+        for i, (label, transpiled_circuit) in enumerate(
+            zip(circuit_labels, transpiled_circuits)
+        ):
+            # Create a new simulator instance for each circuit with the same seed
+            circuit_simulator = self._create_simulator(resolved_backend)
+
+            if self.simulation_seed is not None:
+                circuit_simulator.set_options(seed_simulator=self.simulation_seed)
+
+            # Run the single circuit
+            job = circuit_simulator.run(transpiled_circuit, shots=self.shots)
+            circuit_result = job.result()
+            counts = circuit_result.get_counts(0)
+            results.append({"label": label, "results": dict(counts)})
+
+        return results
+
+    def _configure_simulator_parallelism(
+        self, aer_simulator: AerSimulator, num_circuits: int
+    ):
+        """Configure AerSimulator parallelism options based on workload."""
+        if self.simulation_seed is not None:
+            aer_simulator.set_options(seed_simulator=self.simulation_seed)
+
+        # Default to utilizing all allocated processes for threads
+        options = {"max_parallel_threads": self.n_processes}
+
+        if num_circuits > 1:
+            # Batch mode: parallelize experiments
+            options.update(
+                {
+                    "max_parallel_experiments": min(num_circuits, self.n_processes),
+                    "max_parallel_shots": 1,
+                }
+            )
+        elif self.shots >= self.n_processes:
+            # Single circuit, high shots: parallelize shots
+            options.update(
+                {
+                    "max_parallel_experiments": 1,
+                    "max_parallel_shots": self.n_processes,
+                }
+            )
+        else:
+            # Single circuit, low shots: default behavior (usually serial shots)
+            options.update(
+                {
+                    "max_parallel_experiments": 1,
+                    "max_parallel_shots": 1,
+                }
+            )
+
+        aer_simulator.set_options(**options)
+
+    def submit_circuits(self, circuits: dict[str, str]) -> ExecutionResult:
+        """
+        Submit multiple circuits for parallel simulation using Qiskit's built-in parallelism.
+
+        Uses Qiskit's native batch transpilation and execution, which handles parallelism
+        internally.
+
+        Args:
+            circuits (dict[str, str]): Dictionary mapping circuit labels to OpenQASM
+                string representations.
+
+        Returns:
+            ExecutionResult: Contains results directly (synchronous execution).
+                Results are in the format: [{"label": str, "results": dict}, ...]
+        """
+        logger.debug(
+            f"Simulating {len(circuits)} circuits with {self.n_processes} processes"
+        )
+
+        # 1. Parse Circuits
+        circuit_labels = list(circuits.keys())
+        qiskit_circuits = [
+            QuantumCircuit.from_qasm_str(qasm) for qasm in circuits.values()
+        ]
+
+        # 2. Resolve Backend
+        if self.qiskit_backend == "auto":
+            max_qubits_circ = max(qiskit_circuits, key=lambda x: x.num_qubits)
+            resolved_backend = self._resolve_backend(max_qubits_circ)
+        else:
+            resolved_backend = self._resolve_backend()
+
+        # 3. Configure Simulator
+        aer_simulator = self._create_simulator(resolved_backend)
+        self._configure_simulator_parallelism(aer_simulator, len(qiskit_circuits))
+
+        # 4. Transpile
+        transpiled_circuits = transpile(
+            qiskit_circuits, aer_simulator, num_processes=self.n_processes
+        )
+
+        # 5. Execute
+        if self._deterministic_execution:
+            results = self._execute_circuits_deterministically(
+                circuit_labels, transpiled_circuits, resolved_backend
+            )
+            return ExecutionResult(results=results)
+
+        job = aer_simulator.run(transpiled_circuits, shots=self.shots)
+        batch_result = job.result()
+
+        # Check for non-determinism warnings
+        metadata = batch_result.metadata
+        if (
+            parallel_experiments := metadata.get("parallel_experiments", 1)
+        ) > 1 and self.simulation_seed is not None:
+            omp_nested = metadata.get("omp_nested", False)
+            logger.warning(
+                f"Parallel execution detected (parallel_experiments={parallel_experiments}, "
+                f"omp_nested={omp_nested}). Results may not be deterministic across different "
+                "grouping strategies. Consider enabling deterministic mode for "
+                "deterministic results."
+            )
+
+        # 6. Format Results
+        results = [
+            {"label": label, "results": dict(batch_result.get_counts(i))}
+            for i, label in enumerate(circuit_labels)
+        ]
+        return ExecutionResult(results=results)
+
+    @staticmethod
+    def estimate_run_time_single_circuit(
+        circuit: str,
+        qiskit_backend: Backend | Literal["auto"],
+        **transpilation_kwargs,
+    ) -> float:
+        """
+        Estimate the execution time of a quantum circuit on a given backend, accounting for parallel gate execution.
+
+        Parameters:
+            circuit: The quantum circuit to estimate execution time for as a QASM string.
+            qiskit_backend: A Qiskit backend to use for gate time estimation.
+
+        Returns:
+            float: Estimated execution time in seconds.
+        """
+        qiskit_circuit = QuantumCircuit.from_qasm_str(circuit)
+
+        if qiskit_backend == "auto":
+            if not (backend_list := _find_best_fake_backend(qiskit_circuit)):
+                raise ValueError(
+                    f"No fake backend available for circuit with {qiskit_circuit.num_qubits} qubits. "
+                    "Please provide an explicit backend or use a smaller circuit."
+                )
+            resolved_backend = backend_list[-1]()
+        else:
+            resolved_backend = qiskit_backend
+
+        transpiled_circuit = transpile(
+            qiskit_circuit, resolved_backend, **transpilation_kwargs
+        )
+
+        total_run_time_s = 0.0
+        durations = resolved_backend.target.durations()
+
+        for node in circuit_to_dag(transpiled_circuit).longest_path():
+            if not isinstance(node, DAGOpNode) or not node.num_qubits:
+                continue
+
+            try:
+                idx = tuple(q._index for q in node.qargs)
+                duration = durations.get(node.name, idx, unit="s")
+                total_run_time_s += duration
+            except TranspilerError:
+                if node.name != "barrier":
+                    warn(f"Instruction duration not found: {node.name}")
+
+        return total_run_time_s
+
+    @staticmethod
+    def estimate_run_time_batch(
+        circuits: list[str] | None = None,
+        precomputed_durations: list[float] | None = None,
+        n_qpus: int = 5,
+        **transpilation_kwargs,
+    ) -> float:
+        """
+        Estimate the execution time of a quantum circuit on a given backend, accounting for parallel gate execution.
+
+        Parameters:
+            circuits (list[str]): The quantum circuits to estimate execution time for, as QASM strings.
+            precomputed_durations (list[float]): A list of precomputed durations to use.
+            n_qpus (int): Number of QPU nodes in the pre-supposed cluster we are estimating runtime against.
+
+        Returns:
+            float: Estimated execution time in seconds.
+        """
+
+        # Compute the run time estimates for each given circuit, in descending order
+        if precomputed_durations is None:
+            with Pool() as p:
+                estimated_run_times = p.map(
+                    partial(
+                        ParallelSimulator.estimate_run_time_single_circuit,
+                        qiskit_backend="auto",
+                        **transpilation_kwargs,
+                    ),
+                    circuits,
+                )
+            estimated_run_times_sorted = sorted(estimated_run_times, reverse=True)
+        else:
+            estimated_run_times_sorted = sorted(precomputed_durations, reverse=True)
+
+        # Optimization for trivial case
+        if n_qpus >= len(estimated_run_times_sorted):
+            return estimated_run_times_sorted[0] if estimated_run_times_sorted else 0.0
+
+        # LPT (Longest Processing Time) scheduling using a min-heap of processor finish times
+        processor_finish_times = [0.0] * n_qpus
+        for run_time in estimated_run_times_sorted:
+            heapq.heappush(
+                processor_finish_times, heapq.heappop(processor_finish_times) + run_time
+            )
+
+        return max(processor_finish_times)