Special issue on new trends in high‐performance computing: Software systems and applications

High-performance computing (HPC) offers the computing power to continuously support the world’s most important discoveries in various scientific and business domains such as chemistry, physics, biology, material science, drug discovery, and financial investment risk analysis. We are now in the exascale era with the Frontier exascale system that has been very recently revealed (June 2022). Researchers from across the HPC community have been developing software systems, tools, libraries, frameworks, application packages, and methods that can fully exploit these extremely powerful computing resources. Such extreme-scale computing will enable the solution of vastly more accurate predictive models and the analysis of massive quantities of data, producing quantum advances in areas of science and technology that are essential to the scientific community. New computational approaches such as machine learning/deep learning have also been heavily explored in recent years and have shown promising evidence for many problems that cannot be resolved by traditional computational simulation and engineering. Training deep neural networks with massive data is an extremely computing-intensive task that heavily relies on HPC power. The upcoming exascale computing era will be the essential basis for supporting new innovations in machine learning/deep learning-based exploration and will lead to new sciences in directions such as smart manufacturing, laboratory automation, and automatic programming. While the hardware architecture can generate extreme computing power, renovation in the software stack plays an essential role in effective performance delivery. The large supercomputers continue to move into the heterogeneous space, while the former fastest ARM-based system, Fugaku, and the many core Sunway Taihulight types of systems are marching towards the heterogeneous space. With systems equipped with GPUs, Advance RISC Machine (ARM) Support Vector Engine (SVEs), and many cores, there is a dire need for innovative software frameworks that can seamlessly migrate scientific code to these systems equipped with rich computing resources. We need innovation at different levels, including compiler tools and techniques, performance analysis tools, novel abstractions of the programming model, redesign of application-level algorithms, and so on. Furthermore, co-design of applications and low-level software frameworks can lead to more efficient use of the opportunities of exascale in many contexts. This special issue has selected 14 papers. We next present the summary of the papers presented in this special issue. The first paper titled “ParTransgrid: A scalable parallel pre-processing tool for unstructured-grid cell-centered Computational Fluid Dynamics (CFD) applications” by Jianqiang et al.1 proposes a parallel pre-processing tool, called ParTransgrid, that translates the general grid format such as the CFD General Notation System into an efficient distributed mesh data format for large-scale parallel computing. Experiment results reveal that ParTransgrid can be easily scaled to billion-level grid CFD applications and that the preparation time for parallel computing with hundreds of thousands of cores is reduced to a few minutes. The second paper titled “Generation of logic designs for efficiently solving ordinary differential equations on FPGAs” by Korch et al.2 proposes a framework that is able to automatically generate specific and optimized solver logic from easy-to-handle configuration files. No manual development and no special Field Programmable Gate Array (FPGA) or programming knowledge are required. The logic generated by this improved approach is up to 43 times faster than its hand-optimized High Level Synthesis (HLS) counterpart, depending on the solution method. The third paper titled “NAS Parallel Benchmarks with Compute Unified Device Architecture (CUDA) and Beyond” by Fernandes et al.3 provides a new CUDA implementation for NASA Parallel Benchmark (NPB). The performance results have shown up to 267% improvements over the best benchmark versions available. The authors also observe the best and worst design choices concerning code size and the performance tradeoff. Lastly, the authors highlight the challenges of