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arXiv:2303.00123

QCLAB++: Simulating Quantum Circuits on GPUs

Roel Van Beeumen, Daan Camps, Mehta, Neil

Published Feb 28, 2023• 2 citations
arXivHTMLPDF

Abstract

We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through OpenMP offloading. qclab++ is designed for performance and numerical stability through highly optimized gate simulation algorithms for 1-qubit, controlled 1-qubit, and 2-qubit gates. Furthermore, we also introduce qclab, a quantum circuit toolbox for Matlab with a syntax that mimics qclab++. This provides users the flexibility and ease of use of a scripting language like Matlab for studying their quantum algorithms, while offering high-performance GPU acceleration when required. As such, the qclab++ library offers a unique combination of features. We compare the CPU simulator in qclab++ with the GPU kernels generated by OpenMP and observe a speedup of over $40\times$. Furthermore, we also compare qclab++ to other circuit simulation packages, such as cirq-qsim and qibo, in a series of benchmarks conducted on NERSC's Perlmutter system and illustrate its competitiveness.

DOI
10.48550/arxiv.2303.00123

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We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through OpenMP offloading. qclab++ is designed for performance and numerical stability through highly optimized gate simulation algorithms for 1-qubit, controlled 1-qubit, and 2-qubit gates. Furthermore, we also introduce qclab, a quantum circuit toolbox for Matlab with a syntax that mimics qclab++. This provides users the flexibility and ease of use of a scripting language like Matlab for studying their quantum algorithms, while offering high-performance GPU acceleration when required. As such, the qclab++ library offers a unique combination of features. We compare the CPU simulator in qclab++ with the GPU kernels generated by OpenMP and observe a speedup of over 40×40\times40×. Furthermore, we also compare qclab++ to other circuit simulation packages, such as cirq-qsim and qibo, in a series of benchmarks conducted on NERSC's Perlmutter system and illustrate its competitiveness.
We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for prototyping and testing quantum algorithms. For advanced performance needs, QCLAB++ serves as a complementary C++ package optimized for GPU-accelerated quantum circuit simulations. Together, QCLAB and QCLAB++ form a comprehensive toolkit, balancing the simplicity of MATLAB scripting with the computational power of GPU acceleration. This paper serves as an introduction to the package and its features along with a hands-on tutorial that invites researchers to explore its capabilities right away.
In recent years, quantum computing has undergone significant developments and has established its supremacy in many application domains. While quantum hardware is accessible to the public through the cloud environment, a robust and efficient quantum circuit simulator is necessary to investigate the constraints and foster quantum computing development, such as quantum algorithm development and quantum device architecture exploration. In this paper, we observe that most of the publicly available quantum circuit simulators (e.g., QISKit from IBM, QDK from Microsoft, and Qsim-Cirq from Google) suffer from slow simulation and poor scalability when the number of qubits increases. To this end, we systematically investigate the deficiencies in quantum circuit simulation (QCS) and propose Q-GPU, a framework that leverages GPUs with comprehensive optimizations to allow efficient and scalable QCS. Specifically, Q-GPU features i) proactive state amplitude transfer, ii) zero state amplitude pruning, iii) delayed qubit involvement, and iv) lossless nonzero state amplitude compression. Experimental results across nine representative quantum circuits indicate that Q-GPU significantly reduces the execution time of the state-of-the-art GPU-based QCS by 71.89% (3.55× speedup). Q-GPU also outperforms the state-of-the-art OpenMP CPU implementation, the Google Qsim-Cirq simulator, and the Microsoft QDK simulator by 1.49×, 2.02×, and 10.82×, respectively.
Fast execution of complex quantum circuit simulations are crucial for verification of theoretical algorithms paving the way for their successful execution on the quantum hardware. However, the main stream CPU-based platforms for circuit simulation are well-established but slower. Despite this, adoption of GPU platforms remains limited because different hardware architectures require specialized quantum simulation frameworks, each with distinct implementations and optimization strategies. Therefore, we introduce Q-Gear, a software framework that transforms Qiskit quantum circuits into Cuda-Q kernels. By leveraging Cuda-Q seamless execution on GPUs, Q-Gear accelerates both CPU and GPU based simulations by respectively two orders of magnitude and ten times with minimal coding effort. Furthermore, Q-Gear leverages Cuda-Q configuration to interconnect GPUs memory allowing the execution of much larger circuits, beyond the memory limit set by a single GPU or CPU node. Additionally, we created and deployed a Podman container and a Shifter image at Perlmutter (NERSC/LBNL), both derived from NVIDIA public image. These public NERSC containers were optimized for the Slurm job scheduler allowing for close to 100% GPU utilization. We present various benchmarks of the Q-Gear to prove the efficiency of our computation paradigm.
Classical simulation of quantum circuits remains indispensable for algorithm development, hardware validation, and error analysis in the noisy intermediate-scale quantum (NISQ) era. However, state-vector simulation faces exponential memory scaling, with an n-qubit system requiring O(2^n) complex amplitudes, and existing simulators often lack the flexibility to exploit heterogeneous computing resources at runtime. This paper presents a GPU-accelerated quantum circuit simulation framework that introduces three contributions: (1) an empirical backend selection algorithm that benchmarks CuPy, PyTorch-CUDA, and NumPy-CPU backends at runtime and selects the optimal execution path based on measured throughput; (2) a directed acyclic graph (DAG) based gate fusion engine that reduces circuit depth through automated identification of fusible gate sequences, coupled with adaptive precision switching between complex64 and complex128 representations; and (3) a memory-aware fallback mechanism that monitors GPU memory consumption and gracefully degrades to CPU execution when resources are exhausted. The framework integrates with Qiskit, Cirq, PennyLane, and Amazon Braket through a unified adapter layer. Benchmarks on an NVIDIA A100-SXM4 (40 GiB) GPU demonstrate speedups of 64x to 146x over NumPy CPU execution for state-vector simulation of circuits with 20 to 28 qubits, with speedups exceeding 5x from 16 qubits onward. Hardware validation on an IBM quantum processing unit (QPU) confirms Bell state fidelity of 0.939, a five-qubit Greenberger-Horne-Zeilinger (GHZ) state fidelity of 0.853, and circuit depth reduction from 42 to 14 gates through the fusion pipeline. The system is designed for portability across NVIDIA consumer and data-center GPUs, requiring no vendor-specific compilation steps.
Abstract We present Qibo , a new open-source software for fast evaluation of quantum circuits and adiabatic evolution which takes full advantage of hardware accelerators. The growing interest in quantum computing and the recent developments of quantum hardware devices motivates the development of new advanced computational tools focused on performance and usage simplicity. In this work we introduce a new quantum simulation framework that enables developers to delegate all complicated aspects of hardware or platform implementation to the library so they can focus on the problem and quantum algorithms at hand. This software is designed from scratch with simulation performance, code simplicity and user friendly interface as target goals. It takes advantage of hardware acceleration such as multi-threading Central Processing Unit (CPU), single Graphics Processing Unit (GPU) and multi-GPU devices.
The rapid execution of complex quantum circuit simulations is essential for validating theoretical algorithms, thereby facilitating their successful implementation on quantum hardware. Although mainstream CPU-based platforms for circuit simulations are well established, they tend to be slower. Conversely, the adoption of GPU platforms remains limited because of the necessity for specialized quantum simulation frameworks tailored to different hardware architectures, each requiring distinct implementation and optimization strategies. Therefore, we introduced Q-Gear, a platform-agnostic framework that transforms Qiskit quantum circuits into Cuda-Q kernels. By leveraging Cuda-Q seamless execution on GPUs, Q-Gear accelerates both CPU- and GPU-based simulations by two orders of magnitude and ten times, respectively, with minimal coding effort. Furthermore, Q-Gear leverages the Cuda-Q configuration to interconnect the memory of GPUs, allowing the execution of much larger circuits beyond the memory limit set by a single GPU or CPU node. Additionally, we created and deployed a Podman container and Shifter image at Perlmutter (NERSC/LBNL), both derived from an NVIDIA public image. These public NERSC containers were optimized for the Slurm job scheduler, allowing approximately 100% utilization of up to 1,024 GPUs. We present various benchmarks for Q-Gear to demonstrate the efficiency of our computational paradigm.