GPGPU architectures have become significantly more diverse in recent years, which has led to an emergence of a variety of specialized programming models and software stacks to support them. Portable programming models exist, but they require significant developer effort to port to and optimize for different hardware architectures. Large language models (LLMs) may help to reduce this programmer burden. In this paper, we present a novel benchmark and testing framework, ParEval-Repo, which can be used to evaluate the efficacy of LLM-based approaches in automatically translating entire codebases across GPGPU execution models. ParEval-Repo includes several scientific computing and AI mini-applications in a range of programming models and levels of repository complexity. We use ParEval-Repo to evaluate a range of state-of-the-art open-source and commercial LLMs, with both a non-agentic and a top-down agentic approach. We assess code generated by the LLMs and approaches in terms of compilability, functional correctness, categories of build errors, and the cost of translation in terms of the number of inference tokens. Our results demonstrate that LLM translation of scientific applications is feasible for small programs but difficulty with generating functional build systems and cross-file dependencies pose challenges in scaling to larger codebases.

Ensuring high productivity in scientific software development necessitates developing and maintaining a single codebase that can run efficiently on a range of accelerator-based supercomputing platforms.While prior work has investigated the performance portability of a few selected proxy applications or programming models, this paper provides a comprehensive study of a range of proxy applications implemented in the major programming models suitable for GPU-based platforms.We present and analyze performance results across NVIDIA and AMD GPU hardware currently deployed in leadership-class computing facilities using a representative range of scientific codes and several programming models -CUDA, HIP, Kokkos, RAJA, OpenMP, OpenACC, and SYCL.Based on the specific characteristics of applications tested, we include recommendations to developers on how to choose the right programming model for their code.We find that Kokkos and RAJA in particular offer the most promise empirically as performance portable programming models.These results provide a comprehensive evaluation of the extent to which each programming model for heterogeneous systems provides true performance portability in real-world usage.

This reproducibility report provides details about the artifact evaluation done with regards to the Artifact Description and Evaluation appendix of SC25 paper "MANS: Efficient and Portable ANS Encoding for Multi-Byte Integer Data on CPUs and GPUs" by Jinwu Yang et al. The work was done as part of the Reproducibility Initiative of SC25. The author is a member of the SC25 Reproducibilty Committee.

Large language models are increasingly becoming a popular tool for software development. Their ability to model and generate source code has been demonstrated in a variety of contexts, including code completion, summarization, translation, and lookup. However, they often struggle to generate code for complex programs. In this paper, we study the capabilities of state-of-the-art language models to generate parallel code. In order to evaluate language models,we create a benchmark, ParEval, consisting of prompts that represent 420 different coding tasks related to scientific and parallel computing. We use ParEval to evaluate the effectiveness of several state-of-the-art open- and closed-source language models on these tasks. We introduce novel metrics for evaluating the performance of generated code, and use them to explore how well each large language model performs for 12 different computational problem types and six different parallel programming models.

Many scientific and engineering applications require repeated calculations of derivatives of output functions with respect to input parameters. Automatic Differentiation (AD) is a method that automates derivative calculations and can significantly speed up code development. In Computational Fluid Dynamics (CFD), derivatives of flux functions with respect to state variables (Jacobian) are needed for efficient solutions of the nonlinear governing equations. AD of flux functions on graphics processing units (GPUs) is challenging as flux computations involve many intermediate variables that create high register pressure and require significant memory traffic because of the need to store the derivatives. This paper presents a forward-mode AD method based on multivariate dual numbers that addresses these challenges and simultaneously reduces the floating-point operation count. The dimension of the multivariate dual numbers is optimized for performance. The flux computations are restructured to minimize the number of temporary variables and reduce register pressure. For effective utilization of memory bandwidth, shared memory is used to store the local flux Jaco-bian. This AD implementation is compared with several other Jacobian implementations on an NVIDIA V100 GPU (V100). For three-dimensional perfect-gas compressible-flow equations implemented in a practical CFD code, the AD implementation of a flux Jacobian based on multivariate dual numbers of dimension 5 outperforms all other GPU AD implementations on V100. Its performance is comparable with the optimized hand-differentiated version. The implementation achieves 75% of the peak floating-point throughput and 61 % of the peak global device memory bandwidth usage.

Accurate modeling of turbulent hypersonic flows has tremendous scientific and commercial value, and applies to atmospheric flight, supersonic combustion, materials discovery and climate prediction. In this paper, we describe our experiences in extending the capabilities of and modernizing CRoCCo, an MPI-based, CPU-only compressible computational fluid dynamics code. We extend CRoCCo to support block-structured adaptive mesh refinement using a highly-scalable AMR library, AMReX, and add support for a fully curvilinear solver. We also port the computational kernels in CRoCCo to GPUs to enable scaling on modern exascale systems. We present our techniques for overcoming performance challenges and evaluate the updated code, CRoCCo v2.0, on the Summit system, demonstrating a 6× to 44× speedup over the CPU-only version.