Equipment: CC Campus Compute: Expansion of GPU Compute Capacity for NC State University HPC to Support Research and Education

该项目扩展了北卡罗来纳州立大学(北卡罗来纳州立大学)的高级计算能力。这些资源使更大的模型、更快的模拟、更准确的人工智能模型的更大数据集以及更快的基因组组装处理成为可能。该资源部署到一个支持性环境--高性能计算(HPC)设施--为初级用户提供扩展、培训、文档、教程、支持和工具，用于访问、可视化、作业执行和入职流程。该项目安装了6个采用最新NVIDA Hopper体系结构的Lenovo SR670节点(具有12x H100和12x L40 NVIDIA GPU)，以便教学、课堂使用和研究(包括科学驱动程序的研究)可以扩展，从而缓解当前GPU卡上的计算拥堵。该系统将支持12种以上的科学应用。应用包括从头算方法，如密度泛函理论和分子动力学、神经网络训练、冷冻-EM、基因组组装和流体模拟。HPC设施为200多个项目提供支持。包括本科生在内的所有学生都可以使用这一系统。教育影响包括HPC用户使用该系统进行教学、课堂使用和研究的能力。很大一部分资源将提供给开放科学网格，为全国范围内的科学用户提供更大的计算能力。这一奖项反映了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 project expands advanced computing capacity at North Carolina State University (NC State). The resources enable larger models, faster simulations, larger datasets for more accurate Artificial Intelligence models, and faster processing of genome assemblies. The resource is deployed into a supportive environment - the High Performance Computing (HPC) facility - which provides outreach, training, documentation, tutorials, support, and tools for access, visualization, job execution, and an onboarding process for beginning users.The project installs six Lenovo SR670 nodes with the latest NVIDA Hopper architecture (with 12x H100 and 12x L40 NVIDIA GPUs) so that teaching, classroom use, and research (including research from the science drivers) can expand, relieving the compute congestion on the current GPU cards. More than twelve science applications will be supported on the system. Applications include ab-initio methods such as Density Functional Theory and Molecular Dynamics, neural network training, cryo-EM, genome assembly, and fluid simulation. More than 200 projects are supported by the HPC facility. Access to this system will be provided for all students, including undergraduates. Educational impacts include access to the system for teaching, classroom use, and research capability for HPC users. A significant portion of the resource will be made available to Open Science Grid, providing increased computing capacity for scientific users nationwide.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.