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

要求的设备：在过去的15年里，生物信息学和计算化学研究已经分别通过高通量基因组学方法和新的计算建模算法的重大进展而发生了革命性的变化。这些方法围绕着大数据，需要强大的计算资源来进行生产和分析，即包含最先进的GPU（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个7年的GPU，由于组件故障和处理速度缓慢，该GPU将在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生物信息学和计算化学的快速发展领域的国际舞台上保持竞争力。研究活动和用户群：由于计算机建模的影响早已被认识到，UofL在2007年招募了Wetmore博士作为计算化学的加拿大第二层研究主席（CRC）。她现在是一级理事会研究主席谁领导一个国际知名的和充满活力的研究计划，旨在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未回答的问题，她的工作将有助于设计用于医学和生物技术应用的新核酸。随后，UofL于2016年从哈佛招募了Zovoilis博士作为二级CRC，以建立生物信息学项目。作为南阿尔伯塔基因组科学中心的主任和BioNet阿尔伯塔（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（PromethION测序仪）研究非编码RNA的一位崭露头角的领导者，这是加拿大西部的第一个。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获得基于GPU的计算的科学家密切合作，包括3个UofL部门，4个UofL研究机构和一个泛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。用户组中的所有学员都对来自各种来源的数据（基因组或分子模拟）进行计算分析，并将帮助加拿大在不同计算领域发展劳动力。延迟的影响：两位共同申请人及其在几个研究机构的同事都使用需要GPU的技术（机器学习和生物分子模拟）。如果无法访问最先进的GPU节点，他们高效的研究计划将被暂停，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.*****