Related papers: Evaluating performance and portability of high-lev…
Hierarchical $\mathcal{H}^2$-matrices are asymptotically optimal representations for the discretizations of non-local operators such as those arising in integral equations or from kernel functions. Their $O(N)$ complexity in both memory and…
Large language models show promise for automated CUDA programming, however even the strongest coding models (e.g., Claude-Opus-4.6) may still fall short of expert-level, architecture-aware optimization. We introduce CUDAHercules, a…
Multicore systems present on-board memory hierarchies and communication networks that influence performance when executing shared memory parallel codes. Characterising this influence is complex, and understanding the effect of particular…
Ranging from NVIDIA GPUs to AMD GPUs and Intel GPUs: Given the heterogeneity of available accelerator cards within current supercomputers, portability is a key aspect for modern HPC applications. In Octo-Tiger, we rely on Kokkos and its…
The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization.The PETSc design for performance…
This work elaborates on a High performance computing (HPC) architecture based on Simple Linux Utility for Resource Management (SLURM) [1] for deploying heterogeneous Large Language Models (LLMs) into a scalable inference engine. Dynamic…
We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…
In recent history, GPUs became a key driver of compute performance in HPC. With the installation of the Frontier supercomputer, they became the enablers of the Exascale era; further largest-scale installations are in progress (Aurora, El…
The presence of GPU from different vendors demands the Lattice QCD codes to support multiple architectures. To this end, Open Computing Language (OpenCL) is one of the viable frameworks for writing a portable code. It is of interest to find…
In the realm of scientific computing, both Julia and Python have established themselves as powerful tools. Within the context of High Energy Physics (HEP) data analysis, Python has been traditionally favored, yet there exists a compelling…
The Aurora supercomputer, which was deployed at Argonne National Laboratory in 2024, is currently one of three Exascale machines in the world on the Top500 list. The Aurora system is composed of over ten thousand nodes each of which…
This paper proposes a versatile high-performance execution model, inspired by systolic arrays, for memory-bound regular kernels running on CUDA-enabled GPUs. We formulate a systolic model that shifts partial sums by CUDA warp primitives for…
This study presents a benchmarking analysis of the Qualcomm Cloud AI 100 Ultra (QAic) accelerator for large language model (LLM) inference, evaluating its energy efficiency (throughput per watt), performance, and hardware scalability…
This study systematically tests a computational power reuse scheme proposed by the open source community disabling specific instruction sets (Fused Multiply Add instructions) through CUDA source code modifications on the NVIDIA CMP 170HX…
Concurrent priority queues are widely used in important workloads, such as graph applications and discrete event simulations. However, designing scalable concurrent priority queues for NUMA architectures is challenging. Even though several…
NVIDIA has been the main provider of GPU hardware in HPC systems for over a decade. Most applications that benefit from GPUs have thus been developed and optimized for the NVIDIA software stack. Recent exascale HPC systems are, however,…
In this paper, the performance characteristics of different solution techniques and program packages to solve a large number of independent ordinary differential equation systems is examined. The employed hardware are an Intel Core i7-4820K…
High-performance computing (HPC) is a major driver accelerating scientific research and discovery, from quantum simulations to medical therapeutics. While the increasing availability of HPC resources is in many cases pivotal to successful…
Sustaining exascale performance in production requires engineering choices and operational practices that emerge only under real deployment constraints and demand coordination across system layers. This paper reports experience from three…
We characterize the GPU energy usage of two widely adopted exascale-ready applications representing two classes of particle and mesh solvers: (i) QMCPACK, a quantum Monte Carlo package, and (ii) AMReXCastro, an adaptive mesh astrophysical…