Quantum Computer Simulations at Warp Speed: Assessing the Impact of GPU Acceleration: A Case Study with IBM Qiskit Aer, Nvidia Thrust & cuQuantum

Quantum computer simulators are crucial for the development of quantum computing. This work investigates GPU and multi-GPU systems' suitability and performance impact on a widely used simulation tool – the state vector simulator Qiskit Aer. In particular, we evaluate the performance of both Qiskit's default Nvidia Thrust backend and the recent Nvidia cuQuantum backend on Nvidia A100 GPUs. We provide a benchmark suite of representative quantum applications for characterization. For simulations with a large number of qubits, the two GPU backends can provide up to 14× speedup over the CPU backend, with Nvidia cuQuantum providing a further 1.5–3× speedup over the default Thrust backend. Our evaluation on a single GPU identifies the most important functions in Nvidia Thrust and cuQuantum for different quantum applications and their compute and memory bottlenecks. We also evaluate the gate fusion and cache-blocking optimizations on different quantum applications. Finally, we evaluate large-number qubit quantum applications on multi-GPU and identify data movement between host and GPU as the limiting factor for the performance.