An Agentic Workflow for Legacy HPC Modernization: Converting the Two-Electron-Integral Core of GAMESS· 遗留 HPC 现代化代理工作流
Modernizing legacy Fortran is a problem of volume: the transformations are individually routine, but the codebases can be enormous, and across much of computational science the work simply goes undone. We propose an agentic workflow that takes this work on at production scale, and we set out to measure how far such delegation can reach. In this work, three prompt-specialized agent roles operate under a version-controlled specification that the agents themselves authored and revised, while humans hold a small number of gates. The arrangement is kept safe by an exact verification oracle inherited from the domain, and the boundary of safe delegation lies exactly where that oracle stops seeing. We apply the proposed workflow in a case study, converting the two-electron-integral routines of GAM
提出了一种用于现代化遗留 Fortran 代码的代理工作流方法。
- 核心方法
- 通过三个专门设计的代理角色，使用版本控制的规范进行代码转换，人类仅在少数关键点进行审核，同时利用领域内的精确验证机制确保安全性。
- 适合谁读
- 研究者、工程师
- 要解决的问题
- 遗留 Fortran 代码库庞大，但代码转换工作量巨大且经常被忽略，导致很多计算科学项目无法现代化。
- 关键实验
- 通过将 GAMESS 软件中的两电子积分核心部分进行现代化转换，展示了代理工作流的实际应用效果。
- 主要贡献
- 提出了一种可大规模生产的遗留 HPC 现代化代理工作流，证明了该方法的有效性和安全性，并通过案例研究展示了其在实际项目中的应用。
- 意义与局限
- 该方法为解决遗留 Fortran 代码现代化问题提供了一个可行的解决方案，但其适用范围可能受限于特定领域的验证机制。