Parallel Paradigms in Modern HPC: A Comparative Analysis of MPI, OpenMP, and CUDA (2506.15454v1)

Abstract: This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture (CUDA). Selecting optimal programming approaches for modern heterogeneous HPC architectures has become increasingly critical. We systematically analyze these models across multiple dimensions: architectural foundations, performance characteristics, domain-specific suitability, programming complexity, and recent advancements. We examine each model's strengths, weaknesses, and optimization techniques. Our investigation demonstrates that MPI excels in distributed memory environments with near-linear scalability for communication-intensive applications, but faces communication overhead challenges. OpenMP provides strong performance and usability in shared-memory systems and loop-centric tasks, though it is limited by shared memory contention. CUDA offers substantial performance gains for data-parallel GPU workloads, but is restricted to NVIDIA GPUs and requires specialized expertise. Performance evaluations across scientific simulations, machine learning, and data analytics reveal that hybrid approaches combining two or more models often yield optimal results in heterogeneous environments. The paper also discusses implementation challenges, optimization best practices, and emerging trends such as performance portability frameworks, task-based programming, and the convergence of HPC and Big Data. This research helps developers and researchers make informed decisions when selecting programming models for modern HPC applications, emphasizing that the best choice depends on application requirements, hardware, and development constraints.