MRI: Acquisition of High Performance Computing Instrument for Collaborative Data-Enabled Science

提案编号：12- 28312 PI：Apon，Amy W. 吉尔·杰米尔;沃尔特·利贡B;作者：Melissa C. Stuart，Steven J.机构：克莱姆森大学职称： MRI/采集：高性能计算仪器协作数据使能科学项目建议：该项目，获得一个高性能计算（HPC）的协作数据使能科学，旨在使基础和应用研究领域的实验HPC，包括可扩展的文件系统，加速器技术，中间件架构和集群调度策略。该仪器将被用作生产资源，以支持材料和生物分子建模，生物信息学（和其他）的几个引人注目的科学应用，并将有助于该机构的一个重要的新组成部分？的完善和管理的棕榈群集，同时提供急需的文件存储和加速器系统，目前还没有。支持的项目包括：- 可扩展的文件系统实现，-在异构计算环境中开发和分析并发性，-高性能集群建模，分析和表征，-文件复制和一致性维护，-云架构，-先进材料和生物分子系统的特性，-多点的分子动态模拟研究，新的发光纳米颗粒，-生物分子进化，-优化用于水的直接化学修复的催化剂，-蛋白质-表面相互作用，-用于下一代测序数据组装的Map/Reduce框架，-搜索显著保守的蛋白质块的识别，-数字制造，- 生产的非参数模型中的统计推断，-医院和银行业结构的分析，-多重散射渲染，-数字奖学金，及─计算在地球科学中的应用：科学小组定期提供有计划的投入，预计将有助于制定政策，将该仪器用作实验性高性能的试验台更广泛的影响：该仪器作为合作团队的工具，包括来自4个机构的20多名教师和250多名研究生和本科生。该系统还将用于已建立的？桌面到Teragrid？该计划覆盖了EPSCoR州南卡罗来纳州的十几所大学，并与区域合作伙伴合作。该提案小组包括6名女性高级人员。该机构有外联、教育和培训活动，并与SC？它是唯一的公共HBCU，南卡罗来纳州州立大学，以及该地区的其他少数民族机构。跨学科课程的开发将支持计算和数据支持的科学和工程。

Proposal #: 12-28312PI(s): Apon, Amy W. Gemmill, Jill; Ligon, Walter B.; Smith, Melissa C.; Stuart, Steven J.Institution: Clemson UniversityTitle: MRI/Acq.: High Performance Computing Instrument for Collaborative Data-Enabled ScienceProject Proposed:This project, acquiring a high performance computing (HPC) for collaborative data-enabled science, aims to enable fundamental and applied research in areas of experimental HPC, including scalable file systems, accelerator technologies, middleware architectures, and cluster scheduling policies. The instrument will be used as a production resource to support several compelling science applications in materials and biomolecular modeling, bioinformatics (and others) and will contribute a significant new component of the institution?s well established and managed Palmetto cluster while providing critically needed file storage, and accelerator systems not currently available. Supported projects include:- Scalable file system implementation,- Exploiting and analyzing concurrency in heterogeneous computing environments,- High performance cluster modeling, analysis, and characterization,- File replication and consistency maintenance,- Cloud architecture,- Properties of advanced materials and biomolecular systems,- Molecular dynamic simulation studies of poly-dots, new light-emitting nanoparticles,- Biomolecular evolution,- Optimizing catalysts for direct chemical remediation from water,- Protein-surface interactions,- Map/Reduce framework for next generation sequencing data assembly,- Searching for identification of significantly conserved protein blocks,- Digital manufacturing,- Statistical inference in nonparametrics models of production,- Analysis of the structures of hospital and banking industries,- Multiple scatter rendering,- Digital scholarship, and- Applications of computing to the geosciences.Regular planned input from the scientific team is expected to facilitate the development of policies for use of the instrument as a test bed for experimental high performance computing systems research as well as a shared production resource for scientific applications.Broader Impacts: The instrument serves as a tool for the collaborative team that includes more than 20 faculty from 4 institutions, and more than 250 graduate and undergraduate students. The system will also be utilized by the already established ?Desktop to Teragrid? program that reaches more than a dozen universities across South Carolina, an EPSCoR state, and with regional partners. The proposal team includes 6 women senior personnel. The institution has outreach, education, and training activities, and has engaged SC?s only public HBCU, South Carolina State University, as well as other minority institutions within the region. Development of interdisciplinary curricula will support computational and data-enabled science and engineering.