在RISC-V矢量架构上共同设计初始电子结构方法
Rogeli Grima Torres1, Pablo Vizcaíno1, Filippo Mantovani1
1Barcelona Supercomputing Center (BSC), Plaça Eusebi Güell, 1-3, Barcelona, 08034, Spain.
Open research Europe
|August 30, 2024
概括
将高性能计算 (HPC) 电子结构代码移植到RISC-V矢量处理单元 (VPU) 显示出有希望的结果. 不同的矢量化策略显著减少了计算瓶,为超级架构铺平了道路.
科学领域:
- 计算物理和化学 计算物理和化学
- 高性能计算 (HPC) 是一种高性能计算.
- 新兴的计算机架构正在出现.
背景情况:
- 电子结构计算对于材料和分子科学至关重要,但计算密集.
- 固有价值问题是这些科学应用中常见的瓶.
- 高性能计算 (HPC) 平台对于处理这些苛刻的计算是必不可少的.
研究的目的:
- 研究将电子结构代码从一开始移植到RISC-V矢量处理单元 (VPU) 的可行性.
- 评估不同的矢量化策略,以优化RISC-V原型的性能.
- 为未来的超级系统提供硬件和软件联合设计的反.
主要方法:
- 开发了一个基于ELPA eigensolver库中的小应用程序的软件测试器.
- 在FPGA上测试了一个用户空间模拟器 (Vehave) 和一个RISC-V矢量架构.
- 实施并比较各种矢量化技术,包括自动矢量化,循环融合和内在化.
主要成果:
- 观察到矢量化指令,执行指令和计算周期的逐渐减少,矢量化复杂度增加.
- 证明了在固有值问题计算中大幅加快速度的潜力.
- 在RISC-V原型上验证了不同向量化策略的性能.
结论:
- 将电子结构代码移植到RISC-V VPU是加速科学计算的可行方法.
- 这些发现支持在欧盟开发的RISC-V技术上推进计算材料和分子科学.
- 这项工作为参与RISC-V联合设计工作的硬件设计师,工程师和编译器开发人员提供了宝贵的见解.
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