Parallel Computing and Visualization Infrastructure for Scientific Computation

加州大学圣地亚哥分校数学系的计算与应用数学小组提议购买一台位、33节点的刀片机架系统，使用基于NPACI Rock Linux的软件，以改进和升级他们目前的并行计算能力。拟议的设备将支持计算科学的基础研究和教育。本课题组的研究包括但不限于五个核心项目：(1)自适应多层有限元并行计算的新算法。(2)计算密集型环境下的水平集方法。(3)带偏微分方程约束的优化问题。(4)有限元建模在生物化学和物理中的应用。(5)材料科学中应力驱动界面动力学的混合有限元水平集方法。这些项目中的每一个都是计算密集型的，并且需要广泛使用并行计算。研究人员结合了应用数学、数值优化、数值偏微分方程式和并行计算方面的专业知识。对最先进的并行计算机的访问在CAM小组提供的研究和教育计划中发挥了至关重要的作用。拟议的设备将使该小组的计算能力得到数量级的提高，并使他们能够考虑更具挑战性的计算问题和应用。研究人员正在参与广泛的外部研究项目，包括计算科学在近海石油勘探、蛋白质建模、黑洞数值模拟、晶体生长和生物膜建模、捕获波的绕射效应和路径规划中的应用。CAM小组的一个重要目标是开发用于计算科学的软件，并在制造业、工程界和科学界进行传播。作为项目的一部分开发的软件将提供一种有效的技术转移方法，并将扩大加州大学圣迭戈分校研究人员开发的现有代码PLTMG、FETK、SNOPT和IOTR的范围和有效性。该项目的软件组件将对涉及复杂系统建模的研究产生重大影响，因为它将为科学家和工程师提供即时访问最先进的方法。CAM小组成员提供一个教学和研究计划，强调计算科学在制定、建模和解决来自不同和不断变化的领域的问题中的作用。拟议设备支持的研究和教育活动将有助于吸引高级研究生进入计算科学领域，该领域在研究制造业、工程学和自然科学中出现的系统方面发挥着至关重要的作用。

The Computational and Applied Mathematics (CAM) group in the Department of Mathematics at the University of California, San Diego is proposing the purchase of a 64-bit, 33-node blade rack system, using NPACI Rocks Linux-based software, to improve and upgrade their current parallel computing capabilities. The proposed equipment will support fundamental research and education in computational science. The research of the group includes, but is not restricted to, five core projects: (1) New algorithms for parallel computation with adaptive multilevel finite-element methods. (2) The level-set method in computationally intensive environments. (3) Optimization with partial differential equation constraints. (4) Finite element modeling applications in biochemistry and physics. (5) Hybrid finite-element level-set methods for stress-driven interface dynamics in materials science.Each of these projects is computationally intensive and requires theextensive use of parallel computation. The Investigators have combined expertise in applied mathematics, numerical optimization, numerical partial differential equations and parallel computation. Access to state-of-the-art parallel computers has played a vital and formative role in the research and educational program offered by the CAM group.The proposed equipment will provide an order-of-magnitude improvement in the computing capabilities of the group and will allow them to consider even more challenging computational problems and applications.The Investigators are participating in a wide range of outside research projects that include applications of computational science in off-shore petroleum exploration, protein modeling, the numerical modeling of black holes, the modeling of crystal growth and biomembranes, the capture of diffraction effects of waves, and path planning. An important goal of the CAM group is the development of software for computational science and its dissemination within the manufacturing, engineering andscientific community. Software developed as part of the project willprovide an effective method of technology transfer and will extend thescope and effectiveness of the existing codes PLTMG, FETK, SNOPT and IOTR that have been developed by the investigators at UC San Diego.The software component of the project will have a substantial impact on research involving the modeling of complex systems as it will provide scientists and engineers with instant access to state-of-the-art methods.The members of the CAM group offer a program of instruction and research that emphasizes the role of computational science in the formulation, modeling, and solution of problems from diverse and changing areas. The research and educational activities supported by the proposed equipment will help attract advanced graduate students into the area of computational science, which plays a vital role in the study of systems arising in manufacturing, engineering and the natural sciences.