SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations

The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub.

百亿亿次超级计算机的兴起推动了图形处理器（Graphics Processing Unit，GPU）厂商间的竞争，促使格点量子色动力学（lattice Quantum Chromodynamics，QCD）开发者编写支持多应用程序编程接口（Application Programming Interface，API）的代码。此外，算法与物理研究的新进展要求对现有软件进行频繁更新。这些挑战需要与持续变动的人员状况相权衡。与此同时，HISQ费米子在量子色动力学研究中有着广泛的应用场景。这一现状推动了兼具灵活性、高性能、开源特性且易于使用与适配的、搭载HISQ作用量的软件的开发。在本技术论文中，我们阐述了SIMULATeQCD的设计策略，给出其实现细节，列出可用的算法与模块，并展示其关键性能指标；该代码是一款面向大规模量子色动力学计算的简易多GPU格点程序，主要由HotQCD合作组开发并使用。该代码已在GitHub平台公开发布。