MRI: Acquisition of a GPU-Accelerated Parallel Supercomputer for Computational Science and Engineering Research at the University of New Mexico

我们将在新墨西哥州大学（UNM）获得一台基于图形处理单元（GPU）的32节点并行高性能计算机，以支持科学和工程研究。这台机器将被安置在UNM高级研究计算中心（CARC），这是一个校园范围内的共享设施。这台机器将大大扩展校园超级计算机中心（CARC）的能力，将总可用计算周期从5 TFlops峰值增加到41 TFlops峰值，相应的在线存储容量从23 TB增加到55 TB。 新机器和相关软件被配置为紧密耦合的“胖节点”集群，将使研究人员能够以本质上并行（多线程，10 - 50倍GPU加速）的单节点共享内存作业运行计算，并通过多节点消息传递并行实现进一步的可扩展性。 这个新系统将支持纳米生物材料科学的研究，包括分子生物物理学、化学和凝聚态物理学、材料物理学、数学生物学、分子生物学、催化、新型传感器材料和结构材料;先进的图形、图像处理和可视化，包括使用量子点的生物物理成像、三维动画和渲染、功能磁共振成像图像分析和三维计算机断层扫描;和地球物理学，包括计算电磁学和地质建模。它还将为学生和研究人员提供机会，让他们保持在计算技术曲线上，并获得抢先体验变革性的下一代架构。 CARC技术人员将提供外展和培训课程，以显着扩大用户群，特别是与UNM的两个NSF IGERT培训计划相关的“纳米生物”研究人员（学生和教师），纳米科学和微系统，将纳米技术与细胞生物学和神经科学相结合，以及最大化学生多样性的倡议（IMSD）计划。IMSD旨在增加生物医学研究中代表性不足的少数群体的人数，学生来自生物学、生物化学、化学、计算机科学、计算机工程、化学工程和心理学。来自MIND研究网络（神经科学）和NSF资助的地球数据观测网络（DataOne）项目（环境科学）的学生和研究人员也将获得并受益于该机器。作为EPSCoR和少数民族服务机构，UNM有一个独特的人口构成：它是美国唯一的卡内基研究/博士扩展机构也是西班牙裔服务机构，有32%的西班牙裔，6%的美洲原住民和3%的非洲裔美国学生。这种下一代超级计算架构作为共享的校园资源的可用性将提供一个特殊的机会，让学生参与计算科学和工程研究的最前沿，其中包括许多传统上代表性不足的少数民族。

We will acquire a graphical processing unit (GPU)-based 32-node parallel high-performance computer in support of science and engineering research at the University of New Mexico (UNM). The machine will be housed at the UNM Center for Advanced Research Computing (CARC), a campus-wide shared facility. The machine will significantly expand the capabilities of the campus supercomputer center (CARC), increasing total available compute cycles from 5 to 41 TFlops peak, and corresponding online storage capacity from 23 to 55 TB. Configured as a tightly-coupled cluster of "fat nodes", the new machine and associated software will enable researchers to run calculations as intrinsically parallel (multi-threaded, 10-50x GPU-accelerated) single-node, shared-memory jobs, with further scalability achievable through multi-node message-passing parallelism.The seventeen collaborating faculty on this proposal span nine departments and three Colleges. This new system will support research in nano-bio-materials science, including molecular biophysics, chemical and condensed matter physics, materials physics, mathematical biology, molecular biology, catalysis, novel sensor materials, and structural materials; advanced graphics, image processing and visualization, including biophysical imaging using quantum dots, 3D animation and rendering, fMRI image analysis and 3D computed tomography; and geophysics, including computational electromagnetics and geological modeling. It will also provide the opportunity for students and researchers to remain on the computing technology curve and gain early access to a transformative next- generation architecture. Outreach and training classes will be provided by CARC technical staff to significantly expand the user base, particularly to 'nano-bio' researchers (students and faculty) associated with the two NSF IGERT training programs at UNM, Nanoscience and Microsystems and Integrating Nanotechnology with Cell Biology and Neuroscience, as well as the Initiatives to Maximize Student Diversity (IMSD) program. IMSD is aimed at increasing the number of under-represented minorities in biomedical research and has students from Biology, Biochemistry, Chemistry, Computer Science, Computer Engineering, Chemical Engineering and Psychology. Students and researchers from the MIND Research Network (neuroscience) and the NSF-funded Data Observation Network for Earth (DataOne) project (environmental sciences) will also have access to and benefit from the machine. As an EPSCoR and Minority-Serving Institution, UNM has a unique demographic makeup: it is the only Carnegie Research/Doctoral Extensive institution in the U.S. that is also a Hispanic Serving Institution, with 32% Hispanic, 6% Native American and 3% African American students. The availability of this next-generation supercomputing architecture as a shared, campus-wide resource will provide an exceptional opportunity to engage students, including many from traditionally underrepresented minorities, at the forefront of computational science and engineering research.