Large language models (LLMs) have shown remarkable capabilities in code translation, yet their performance deteriorates in low-resource programming domains such as Fortran and emerging frameworks like CUDA, where high-quality parallel data are scarce. We present an automated dataset generation pipeline featuring a dual-LLM Questioner–Solver design that incorporates external knowledge from compilers and runtime feedback. Beyond traditional source–target code pair datasets, our approach additionally generates (1) verified translations with unit tests for assessing functional consistency, and (2) multi-turn dialogues that capture the reasoning process behind translation refinement. Applied to Fortran→C++ and C++→CUDA, the pipeline yields 3.64k and 3.93k dialogues, respectively. Fine-tuning on this data yields dramatic improvements in functional correctness, boosting unit test success rates by over 56% on the challenging C++-to-CUDA task. We show that the generated data enables a 7B open-weight model to significantly outperform larger proprietary systems on key metrics like compilation success.

Parallel programming is central to HPC and AI, but producing code that is correct and fast remains challenging, especially for OpenMP GPU offload, where data movement and tuning dominate. Autonomous coding agents can compile, test, and profile on target hardware, but outputs are brittle without domain scaffolding.We present ParaCodex, an HPC-engineer workflow that turns a Codex-based agent into an autonomous OpenMP GPU offload system using staged hotspot analysis, explicit data planning, correctness gating, and profiling-guided refinement. We evaluate translation from serial CPU kernels to OpenMP GPU offload kernels on HeCBench, Rodinia, and NAS. After excluding five kernels, ParaCodex succeeded on all 31 valid kernels. In 27/31 (87%) of these valid cases, the generated kernels improved GPU time over reference implementations, a result that holds independently on both the A100 and RTX 4060. The resulting OpenMP kernels achieve geometric-mean speedups of 3.1 (A100) and 3.6 (RTX 4060) on HeCBench and 1.5 and 1.1 on Rodinia, and outperform a zero-shot Codex baseline on all suites. We also evaluate CUDA -> OpenMP offload translation on ParEval, where ParaCodex maintains high compilation and validation rates in code-only and end-to-end settings.ParaCodex is available at https://github.com/Scientific-Computing-Lab/ParaCodex

In-Context Learning (ICL) has been shown to be a powerful technique to augment the capabilities of LLMs for a diverse range of tasks. This work proposes AutoParLLM, a novel way to generate context using guidance from graph neural networks (GNNs) to generate efficient parallel codes. We evaluate AutoParLLM on 12 applications from two well-known benchmark suites of parallel codes: NAS Parallel Benchmark and Rodinia Benchmark. Our results show that AutoParLLM improves the state-of-the-art LLMs (e.g., GPT-4) by 19.9% in NAS and 6.48% in Rodinia benchmark in terms of CodeBERTScore for the task of parallel code generation. Moreover, AutoParLLM improves the ability of the most powerful LLM to date, GPT-4, by achieving 17% (on NAS benchmark) and 16% (on Rodinia benchmark) better speedup. In addition, we propose OMPScore for evaluating the quality of the parallel code and show its effectiveness in evaluating parallel codes.