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Having built up Linux clusters to more than 1000 nodes over the past five years, we already have practical experience confronting some of the LHC scale computing challenges: scalability, automation, hardware diversity, security, and rolling…
Computer systems have evolved over the years starting from sizable, single-user, slow, and expensive machines to multi-user, fast, cheaper, and small-sized machines. The use of multi-user computer networks has given rise to a new paradigm…
Research processes often rely on high-performance computing (HPC), but HPC is often seen as antithetical to "reproducibility": one would have to choose between software that achieves high performance, and software that can be deployed in a…
In most High Performance Computing (HPC) projects nowadays, there is a lot of data obtained from different sources, depending on the project's objectives. Some of that data is very huge in terms of size, so copying such data sometimes is an…
pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…
Application containers, such as Docker containers, have recently gained popularity as a solution for agile and seamless deployment of applications. These light-weight virtualization environments run applications that are packed together…
Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…
The recent influx of open scientific data has contributed to the transitioning of scientific computing from compute intensive to data intensive. Whereas many Big Data frameworks exist that minimize the cost of data transfers, few scientific…
The rapid development of cloud-native architecture has promoted the widespread application of container technology, but the optimization problems in container scheduling and resource management still face many challenges. This paper…
Variations in High Performance Computing (HPC) system software configurations mean that applications are typically configured and built for specific HPC environments. Building applications can require a significant investment of time and…
We conducted a systematic survey of emerging quantum-HPC platforms, which integrate quantum computers and High-Performance Computing (HPC) systems through co-location. Currently, it remains unclear whether such platforms provide tangible…
The Accelerator Control System at Fermilab has evolved to enable this relatively large control system to be encapsulated into a "box" such as a laptop. The goal was to provide a platform isolated from the "online" control system. This…
High-performance computing (HPC) clusters are widely used in-house at scientific and academic research institutions. For some users, the transition from running their analyses on a single workstation to running them on a complex,…
In the expanding field of Quantum Computing (QC), efficient and seamless integration of QC and high performance computing (HPC) elements (e.g., quantum hardware, classical hardware, and software infrastructure on both sides) plays a crucial…
Over recent years heterogeneous systems have become more prevalent across HPC systems, with over 100 supercomputers in the TOP500 incorporating GPUs or other accelerators. These hardware platforms have different performance characteristics…
Containers are used by an increasing number of Internet service providers to deploy their applications in multi-access edge computing (MEC) systems. Although container-based virtualization technologies significantly increase application…
Many scientific applications opt for particles instead of meshes as their basic primitives to model complex systems composed of billions of discrete entities. Such applications span a diverse array of scientific domains, including molecular…
The ability to understand how a scientific application is executed on a large HPC system is of great importance in allocating resources within the HPC data center. In this paper, we describe how we used system performance data to identify:…
HEP Cluster is designed and implemented in Scientific Linux Cern 5.5 to grant High Energy Physics researchers one place where they can go to undertake a particular task or to provide a parallel processing architecture in which CPU resources…
Containerization, driven by Docker, has transformed application development and deployment by enhancing efficiency and scalability. However, the rapid adoption of container technologies introduces significant security challenges that…