DCA ++：一个用现代量子团簇方法求解关联电子问题的软件框架
DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods
摘要：
我们提出了DCA++项目的第一个开放版本，DCA ++项目是一个高性能的研究软件框架，可以用尖端的量子簇算法解决量子多体问题。DCA++实现了动态团簇近似（DCA）及其具有连续自能的DCA $^+$扩展。该算法捕获强关联电子系统中的非局部相关性，从而深入了解高$T_c$超导性。代码的可扩展性允许在所有规模上有效使用系统，从工作站到领导计算机。考虑到现代计算机器日益增加的异构性，DCA++在传统和新兴的新架构上提供可移植的性能，例如混合CPU-GPU，在ORNL的Titan和CSCS的Piz Daint超级计算机上维持多个petaflops。此外，我们展示了如何通过采用软件行业的标准技术来实现代码库的可持续和可扩展开发。这些包括采用分布式版本控制系统，应用测试驱动开发和持续集成。
英文摘要：
We present the first open release of the DCA++ project, a high-performance research software framework to solve quantum many-body problems with cutting edge quantum cluster algorithms. DCA++ implements the dynamical cluster approximation (DCA) and its DCA$^+$ extension with a continuous self-energy. The algorithms capture nonlocal correlations in strongly correlated electron systems, thereby giving insight into high-$T_c$ superconductivity. The code's scalability allows efficient usage of systems at all scales, from workstations to leadership computers. With regard to the increasing heterogeneity of modern computing machines, DCA++ provides portable performance on conventional and emerging new architectures, such as hybrid CPU-GPU, sustaining multiple petaflops on ORNL's Titan and CSCS' Piz Daint supercomputers. Moreover, we show how sustainable and scalable development of the code base has been achieved by adopting standard techniques of the software industry. These include employing a distributed version control system, applying test-driven development and following continuous integration.
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