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The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…

In high-performance computing (HPC) environments, system monitoring data is often unlabeled and high-dimensional, making it difficult to reliably detect and understand anomalous computing nodes. The growing scale and dimensionality of the…

High Performance Research Desktops are used by HPC centers and research computing organizations to lower the barrier of entry to HPC systems. These Linux desktops are deployed alongside HPC systems, leveraging the investments in HPC compute…

Strong gravitational lensing is a powerful probe of cosmology and the dark matter distribution. Efficient lensing software is already a necessity to fully use its potential and the performance demands will only increase with the upcoming…

Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has…

The escalating computational demands and energy footprint of GPU-accelerated computing systems complicate informed design and operational decisions. We present the first release of Wattlytics (https://wattlytics.netlify.app), an…

The growing energy demands of HPC systems have made energy efficiency a critical concern for system developers and operators. However, HPC users are generally less aware of how these energy concerns influence the design, deployment, and…

This article presents the ALOJA project and its analytics tools, which leverages machine learning to interpret Big Data benchmark performance data and tuning. ALOJA is part of a long-term collaboration between BSC and Microsoft to automate…

The number of satellites, especially those operating in low-earth orbit (LEO), is exploding in recent years. Additionally, the use of COTS hardware into those satellites enables a new paradigm of computing: orbital edge computing (OEC). OEC…

The Lustre parallel file system has been widely adopted by high-performance computing (HPC) centers as an effective system for managing large-scale storage resources. Lustre achieves unprecedented aggregate performance by parallelizing I/O…

Training LLMs in distributed environments presents significant challenges due to the complexity of model execution, deployment systems, and the vast space of configurable strategies. Although various optimization techniques exist, achieving…

A range of computational biology software (GROMACS, AMBER, NAMD, LAMMPS, OpenMM, Psi4 and RELION) was benchmarked on a representative selection of HPC hardware, including AMD EPYC 7742 CPU nodes, NVIDIA V100 and AMD MI250X GPU nodes, and an…

Training and Hyperparameter Optimization (HPO) of deep learning-based AI models are often compute resource intensive and calls for the use of large-scale distributed resources as well as scalable and resource efficient hyperparameter search…

Retrieval-augmented generation (RAG), which combines large language models (LLMs) with retrievals from external knowledge databases, is emerging as a popular approach for reliable LLM serving. However, efficient RAG serving remains an open…

Complex workflows play a critical role in accelerating scientific discovery. In many scientific domains, efficient workflow management can lead to faster scientific output and broader user groups. Workflows that can leverage resources…

Increasing complexity of modern multi-processor system on chip (MPSoC) and the decreasing feature size have introduced new challenges. System designers have to consider now aspects which were not part of the design process in past times.…

We describe the design, implementation and performance of the RADICAL-Pilot task overlay (RAPTOR). RAPTOR enables the execution of heterogeneous tasks -- i.e., functions and executables with arbitrary duration -- on HPC platforms, providing…

Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…

As the popularity of quantum computing continues to grow, quantum machine access over the cloud is critical to both academic and industry researchers across the globe. And as cloud quantum computing demands increase exponentially, the…

Using large-scale multicore systems to get the maximum performance and energy efficiency with manageable programmability is a major challenge. The partitioned global address space (PGAS) programming model enhances programmability by…