Numerical Algorithms and Intelligent Software for the Evolving HPC Platform

计算能力的进步扩大了适用于计算处理的应用程序的范围，但是如果要充分利用新的硬件投资来造福社会，软件的改进必须跟上计算技术的进步。数值分析是英国数学的传统优势，但它必须与计算机科学家建立新的合作方式，以适应快速变化的高性能计算平台。在这个得到良好支持和及时的倡议中，爱丁堡大学、赫瑞瓦特大学和斯特拉斯克莱德大学的数值分析人员将与爱丁堡信息学的编译器专家和爱丁堡并行计算中心（EPCC）的并行计算专家一起工作，以改进软件开发范例，以便在多样化和不断发展的多处理器系统上实现数值算法。通过将数学家和计算机科学家与高性能计算专家紧密合作，该计划将解决英国数学和高性能计算的国际评论中提出的关键问题。另外，各大学将作出战略性任命，以提供可持续的长期承诺。先进的数值算法将被开发用于最先进的应用，如用于固体和流体力学的高阶自适应有限元，数值优化，多尺度方法，以及用于分子模拟和数据分析的新的并行方法。算法将使用更好的标记和注释系统进行编码，计算机科学家将引入新的编译技术，并与EPCC的研究人员合作实施。这种范式将实现的细节转移到编译器，但编译器通过注释由算法开发人员告知。所开发的方法将有明显的潜力影响EPSRC交付计划的关键主题，包括能源、健康科学、纳米科学和数字经济。为了加强研究基地对新方法的吸收，将与应用科学家和工程师合作测试算法并评估其性能。该建议包括与主要计算公司（惠普、IBM、SGI）以及高性能计算算法的工业用户（斯伦贝谢、Orange/法国电信、SAS）建立知识交换伙伴关系，为有效利用新软件技术开辟新的途径。还计划与达斯伯里和卢瑟福阿普尔顿等国家实验室建立联系。该项目通过与剑桥大学、华威大学和威尔士数学与计算科学研究所的资助关系得到进一步加强。

Advances in computing power have broadened the spectrum of applications amenable to computational treatment, but software improvements must keep pace with advances in computing technology if new hardware investment is to be fully exploited for the benefit of society. Numerical analysis is a traditional strength of UK mathematics, but it must establish new means of collaboration with computer scientists to be relevant for the fast changing platforms of high performance computing. In this well-supported and timely initiative, numerical analysts at Edinburgh, Heriot-Watt and Strathclyde Universities will work together with compiler experts from Edinburgh Informatics and specialists in parallel computing from the Edinburgh Parallel Computing Centre (EPCC) to improve the software development paradigm for implementation of numerical algorithms on diverse and evolving multiprocessor systems. By bringing mathematicians and computer scientists into close collaboration with HPC specialists, this initiative will address key issues raised in the international reviews of UK mathematics and high performance computing. Additional strategic appointments will be made by the universities, providing a sustainable, long-term commitment. Advanced numerical algorithms will be developed for state-of-the-art applications, such as high order adaptive finite elements for solid and fluid mechanics, numerical optimization, multi-scale methods, and new parallel methods for molecular simulation and data analysis. Algorithms will be coded using better systems of markup and annotation, and new compilation techniques will be introduced by the computer scientists and implemented in collaboration with researchers at EPCC. This paradigm shifts the details of implementation to compilers, but compilers informed by algorithm developers via annotation. The methods developed will have clear potential to impact the key themes of the EPSRC delivery plan, including energy, health sciences, nanoscience, and the digital economy. To strengthen the uptake of new methodology among the research base, algorithms will be tested and their performance evaluated in collaboration with applications scientists and engineers. This proposal includes knowledge exchange partnerships with major computing companies (HP, IBM, SGI) as well as industrial users of HPC algorithms (Schlumberger, Orange/France Telecom, SAS), opening new pathways for effective utilisation of new software techniques. Connections to national laboratories such as Daresbury and Rutherford Appleton are also planned. The project is further enhanced through funded connections with Cambridge University, the University of Warwick, and the Wales Institute for Mathematical and Computational Science.