MRI: Acquisition of a GPU Computing Cluster for UMass institute of Applied Life Sciences

这项收购支持图形处理单元(GPU)的高性能计算(HPC)群集的努力，实现了计算密集型活动，目的是利用基本发现来增强翻译影响。高级生命科学研究所处理的是大数据集，其中计算起着不可或缺的作用。马萨诸塞州绿色高性能计算中心(MGHPCC)目前提供的集群不足以满足当前的需求，以支持许多领域的活动，包括原子和粗粒度模拟、机器学习以及下一代生物信息学和数据科学的统计分析。GPU集群将为27个院系和7所学院的250个附属研究实验室提供长期稳定的运营和管理服务。GPU设施提供高速单精度和双精度运算以及极端并行性，以增强当前促进开放科学运动的活动。这一基础设施有助于整合区域教育、外展、多样性和经济活动。图形处理器设施将通过MGHPCC的Internet2链接和区域计算伙伴关系提供给研究人员。混合的GPU/CPU设计、混合精度速度和机器学习优化架构增加了资源，以继续开发和分发开放源码包中强大的分子建模、从头算动力学以及计算和统计工具，从而在重大社会问题上取得快速进展。利用基础设施最有可能带来新的发展和发现，包括可能阐明药物输送分子机制的新型GPU启用的建模和模拟技术、可再生能源和化学合成的计算设计催化剂、用于下一代信息学和大数据的先进计算分析工具，以及更好地了解乳腺癌的风险和耐药性。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

This effort, acquiring a Graphic Processing Unit (GPU)-enabled High-Performance Computing (HPC) cluster, enables computation intensive activities with the aim to leverage fundamental discoveries to enhance translational impacts. The Institute for Advanced Life Science (IALS) deals with big datasets where computation plays an integral role. The current cluster provided by the Massachusetts Green High Performance Computing Center (MGHPCC) is inadequate to meet current demands to support activities in many areas including atomistic and coarse-grained simulations, machine learning, and statistical analysis for next-generation bioinformatics and data science. Providing long-term stability for operation and management, the GPU cluster will serve 250 IALS-affiliated research labs across 27 departments and 7 colleges. The GPU facility offers high speed single and double precision operations as well as extreme parallelism, to enhance current activities that contribute to the open science movement.This infrastructure contributes to efforts to integrate regional education, outreach, diversity, and economic activities. The GPU facilities will be made available to researchers through Internet2 links and regional computing partnerships at MGHPCC. The hybrid GPU/CPU design, mixed precision speed, and machine learning-optimized architecture adds resources to continue development and distribution of powerful molecular modeling, ab initio dynamics and computational and statistical tools in open source packages, enabling rapid progress on problems of great societal import. Utilizing the infrastructure will most likely lead to new developments and discoveries including novel GPU-enabled modeling and simulation technologies that may elucidate molecular mechanism of drug delivery, computational design catalysts for renewable energy and chemical synthesis, advanced computational analysis tools for next generation informatics and big data, and improved understanding of risk and resistance to breast cancer.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.