Containers offer an array of advantages that benefit research reproducibility and portability across groups and systems. As container tools mature, container security improves, and High-performance computing (HPC) and cloud system tools converge, supercomputing centers are increasingly integrating containers in their workflows. The technology selection process requires sufficient information on the diverse tools available, yet the majority of research into containers still focuses on cloud environments. We consider an adaptive containerization approach, with a focus on accelerating the deployment of applications and workflows on HPC systems using containers. To this end, we discuss the specific HPC requirements regarding container tools, and analyze the entire containerization stack, including container engines and registries, in-depth. Finally, we consider various orchestrator and HPC workload manager integration scenarios.

翻译：容器技术为跨团队和系统的研究可重复性与可移植性提供了诸多优势。随着容器工具的成熟、容器安全性的提升，以及高性能计算与云系统工具的融合趋势，超算中心正逐步将容器集成到其工作流程中。技术选型过程需要充分了解各类可用工具，然而现有关于容器技术的研究仍主要聚焦于云环境。本文探讨一种适应性容器化方案，重点研究如何利用容器加速高性能计算系统上的应用与工作流部署。为此，我们分析了高性能计算对容器工具的特殊需求，深度解析了包括容器引擎与镜像仓库在内的完整容器化技术栈。最后，我们探讨了多种编排器与高性能计算作业调度器的集成场景。