Replacement of High-Performance GPU Compute Nodes at the University of Lethbridge

所需设备：在过去的15年里，生物信息学和计算化学研究分别因高通量基因组学方法和新的计算建模算法的重大进步而发生了革命性的变化。这些方法围绕着大数据，这需要强大的计算资源来进行生产和分析，即包含最先进的图形处理器(图形处理单元)的计算机集群。莱斯布里奇大学(UofL)的研究人员正在使用一款已有7年历史的GPU，由于组件故障和处理速度慢，该处理器将于2020年退役。这笔赠款将支持这些急需但过时的GPU计算节点的关键更换，使UofL的研究人员和合作者在快速发展的生物信息学和计算化学领域保持在国际舞台上的竞争力。*研究活动和用户组：由于计算机建模的影响早已得到认识，UofL于2007年聘请Wetmore博士担任计算化学第二层加拿大研究主席(CRC)。她现在是Tier I理事会的研究主席，领导着一个享誉国际的、充满活力的研究计划，该计划寻求更好地了解核酸的化学。通过解决有关化学修饰的影响和酶在我们体内的催化能力的悬而未决的问题，她的工作将有助于设计用于医疗和生物技术应用的新核酸。随后，UofL于2016年从哈佛大学聘请Zovoilis博士担任二级CRC，以建立一个生物信息学项目。作为南艾伯塔省基因组科学中心主任和Bionet Alberta(加拿大基因组支持的生物信息学家网络)的学术带头人，他是使用尖端测序平台(Prometion Sequencer)研究非编码RNA的后起之秀，这在加拿大西部是第一个。这两位研究人员还与许多需要他们在生物信息学/计算化学方面的专业知识并能够使用基于GPU的计算的科学家密切合作，包括在3个UofL部门、4个UofL研究所和一个跨省研究网络的研究人员。*研究的意义：所有用户的基础生物信息学和计算化学研究有可能推动新的生物材料和药物的开发，这将对加拿大人的生活产生积极影响。用户组中的所有受训人员都对来自不同来源的数据进行计算分析(基因组或分子模拟)，并将帮助加拿大在不同的计算领域增加劳动力。*延迟的影响：共同申请者和他们在几个研究机构的同事都使用需要图形处理器的技术(机器学习和生物分子模拟)。如果不能接触到前沿的GPU节点，他们的高生产率研究计划将被暂停，生命科学家的培训将受到负面影响。*

Requested Equipment: Over the last 15 years, bioinformatics and computational chemistry research has been revolutionized by major advancements in high-throughput genomics approaches and new computational modeling algorithms, respectively. These approaches revolve around big data' that requires powerful computing resources for production and analysis, namely a computer cluster that contains state-of-the-art GPUs (graphics processing units). Researchers at the University of Lethbridge (UofL) are using a 7-yr old GPUs that will be decommissioned in 2020 due to failing components and slow processing speeds. This grant will support the critical replacement of these much needed but obsolete GPU compute nodes, allowing UofL researchers and collaborators to remain competitive on the international stage in the quickly evolving fields of bioinformatics and computational chemistry.***Research Activities and User Group: Since the impact of computer modeling has been long recognized, UofL recruited Dr. Wetmore as a Tier II Canada Research Chair (CRC) in computational chemistry in 2007. She is now a Tier I Board of Governors Research Chair who leads an internationally renowned and vigorous research program that seeks to better understand the chemistry of nucleic acids. By addressing unanswered questions about the impact of chemical modifications and the catalytic power of enzymes in our bodies, her work will aid in the design of new nucleic acids for medicinal and biotechnological applications. Subsequently, UofL recruited Dr. Zovoilis as a Tier II CRC from Harvard in 2016 to establish a bioinformatics program. As the director of the Southern Alberta Genome Sciences Centre and academic lead of BioNet Alberta (a Genome Canada supported network of bioinformaticians), he is an up-and-coming leader in the study of non-coding RNA using a cutting-edge sequencing platform (PromethION sequencer), the first in Western Canada. Both researchers also have close collaborations with many scientists who need their expertise in bioinformatics/computational chemistry and access to GPU-based computing, including researchers in 3 UofL departments, 4 UofL research institutes and a pan-provincial research network.***Significance of the Research: The fundamental bioinformatics and computational chemistry research of all users has the potential to advance the development of new biomaterials and medicines, which will positively impact the lives of Canadians. All trainees in the user groups perform computational analyses of data from various sources (genomic or molecular simulations) and will help grow Canada's workforce in diverse computational fields.***Impact of Delay: Both co-applicants and their colleagues in several research institutes use techniques (machine learning and biomolecular simulations) that require GPUs. Without access to cutting-edge GPU nodes, their highly productive research programs will be suspended and the training of life scientists negatively impacted.*****