一种具有混合核的二阶分布式Trotter-Suzuki求解器
A Second-Order Distributed Trotter-Suzuki Solver with a Hybrid Kernel
摘要：
Trotter-Suzuki近似导致求解含时薛定谔方程的有效算法。使用现有的高度优化的CPU和GPU内核，我们开发了一个分布式版本的算法，有效地运行在集群上。我们的实现还提高了单节点性能，并能够在一个节点内使用多个GPU。使用CPU内核的缩放接近线性，而GPU内核的效率随着矩阵的增大而提高。我们还介绍了一个混合内核，同时使用多核CPU和GPU的分布式系统。当矩阵大小不适合GPU内存时，该内核被证明是有效的。较大的量子系统在节点数量较多的情况下扩展得特别好。该代码在开源许可证下可用。
英文摘要：
The Trotter-Suzuki approximation leads to an efficient algorithm for solving the time-dependent Schrödinger equation. Using existing highly optimized CPU and GPU kernels, we developed a distributed version of the algorithm that runs efficiently on a cluster. Our implementation also improves single node performance, and is able to use multiple GPUs within a node. The scaling is close to linear using the CPU kernels, whereas the efficiency of GPU kernels improve with larger matrices. We also introduce a hybrid kernel that simultaneously uses multicore CPUs and GPUs in a distributed system. This kernel is shown to be efficient when the matrix size would not fit in the GPU memory. Larger quantum systems scale especially well with a high number nodes. The code is available under an open source license.
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