用于便携式、多产和高性能科学计算的容器
Containers for portable, productive and performant scientific computing
摘要：
容器是一种新兴技术，有望提高科学计算的生产力和代码可移植性。我们研究了Linux容器技术，用于分发非平凡的科学计算软件堆栈，并在从膝上计算机到高性能计算（HPC）系统的各种平台上执行。我们在一个工作站和一个领先的HPC系统上显示，当部署得当时，在容器内运行科学程序不会有性能损失。对于在大型并行计算机上运行的Python代码，由于更快的库导入，容器内的运行时间减少了。我们提供的软件分发方法和数据将帮助开发人员和用户决定容器技术是否适合他们。我们还为依赖专有库来提高性能的HPC系统供应商提供指导，说明他们可以做些什么来使容器无缝工作，而不会带来性能损失。
英文摘要：
Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing. We examine Linux container technology for the distribution of a non-trivial scientific computing software stack and its execution on a spectrum of platforms from laptop computers through to high performance computing (HPC) systems. We show on a workstation and a leadership-class HPC system that when deployed appropriately there are no performance penalties running scientific programs inside containers. For Python code run on large parallel computers, the run time is reduced inside a container due to faster library imports. The software distribution approach and data that we present will help developers and users decide on whether container technology is appropriate for them. We also provide guidance for the vendors of HPC systems that rely on proprietary libraries for performance on what they can do to make containers work seamlessly and without performance penalty.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
