面向材料科学研究的新型高性能计算平台系统

高性能计算集群作为保证国家科研开展的“基础设施”已上升为国家战略。高性能计算应用广泛，特别在材料科学研究方面，是必不可少的工具。当下为科学计算用户提供高质量的远程化、可视化、图形化的高性能计算平台成为当前高性能服务研究的突破口。本文提出基于材料科学研究的新型高性能计算平台系统，该系统基于Java语言开发，采用B/S架构为用户提供服务，实现主流材料科学研究的计算软件与平台的整合，设计友好的用户操作界面，提供方便的接入方式，并结合OpenPBS优化作业调度方法为平台用户提供优先级更高的计算需求，保证材料科研应用中更高效的计算资源。

A New High-performance Computer Platform Based on Material Science Research

 High-performance computing cluster as the “infrastructure” to ensure scientific research has been upgraded to national strategy. High-performance computing is widely used, especially in materials science. At present, high-performance computing platform which can provide high quality service of remoting, visualization and graphics for computing user has become the breakthrough point for the research of high-performance services. In this paper, a new type of high-performance computing platform system based on materials science research is proposed. The system is developed by Java language, B/S architecture is adopted to provide services. It implements the integration of the mainstream software of materials science research, provides a convenient way of accessing with a friendly user interface design, and combines with OpenPBS to optimize job scheduling method, so as to provide higher priority computing cases for platform users and ensure more efficient computing resources in material scientific research and applications.