Job scheduling in a high performance computing environment
Job scheduling in a high performance computing environment
复制标题
高性能计算环境中的作业调度
DOI：
10.1109/hpcsim.2013.6641474
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发表时间：
2013
期刊：
影响因子：
--
通讯作者：
David Nelson
中科院分区：
文献类型：
--
作者：
Robert L. Warrender;J. Tindle;David Nelson
准备作业以在高性能集群环境中运行通常至少需要了解一系列折衷方案，这些折衷方案将影响处理工作和产生有用结果所需的时间。软件通常由针对特定硬件环境设计的领域专家构建。好的、编写良好的软件通常包含可以从外部调用的“调整”或开关，以利用软件可能遇到的不同硬件环境。随着计算机硬件的不断变化，为了在新环境中最大限度地发挥软件的功能，必须解决我们使用软件的方式并不罕见。本文讨论了在半自动批处理集群 (HPC) 环境中尝试使用用于工作站的软件时遇到的一些技术挑战。该论文记录了与计算化学家团队合作部署的努力和解决方案，这些团队积极从事应用于新药发现的突破性工作。
Preparing jobs to run within a high performance cluster environment usually involves at least the understanding of a series of compromises that will affect the time taken to process the work and produce useful results. Software generally is architected by domain specialists who design for a particular hardware environment. Good, well-written software usually incorporates `tweaks' or switches that can be externally invoked to take advantage of the different hardware environments likely to be encountered by the software. With the ever changing landscape of computer hardware, it is not uncommon to have to address the way we work with software in order to maximize the capabilities of the software within a new environment. This paper discusses some of the technical challenges encountered when attempting to use software intended for workstation use within a semi-automatic batch cluster (HPC) environment. The paper chronicles the efforts and solutions deployed working with a team of computational chemists actively engaged on ground-breaking work applied to new drug discovery.