Related papers: HPC Containers for EBRAINS: Towards Portable Cross…
HPC-based applications often have complex workflows with many software dependencies that hinder their portability on contemporary HPC architectures. In addition, these applications often require extraordinary efforts to deploy and execute…
Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing. We examine Linux container technology for the distribution of a non-trivial scientific computing software stack…
Building and deploying software on high-end computing systems is a challenging task. High performance applications have to reliably run across multiple platforms and environments, and make use of site-specific resources while resolving…
Container technologies such as Docker have become a crucial component of many software industry practices especially those pertaining to reproducibility and portability. The containerization philosophy has influenced the scientific…
Containers improve the efficiency in application deployment and thus have been widely utilised on Cloud and lately in High Performance Computing (HPC) environments. Containers encapsulate complex programs with their dependencies in isolated…
Containers offer an array of advantages that benefit research reproducibility and portability across groups and systems. As container tools mature, container security improves, and High-performance computing (HPC) and cloud system tools…
High-performance computing (HPC) systems and cloud data centers are converging, and containers are becoming the default method of portable software deployment. Yet, while containers simplify software management, they face significant…
Recent development in lightweight OS-level virtualization, containers, provides a potential solution for running HPC applications on the cloud platform. In this work, we focus on the impact of different layers in a containerized environment…
Containerization approaches based on namespaces offered by the Linux kernel have seen an increasing popularity in the HPC community both as a means to isolate applications and as a format to package and distribute them. However, their…
A computing solution combining the GNU Guix functional package manager with the Apptainer container system is presented. This approach provides fully declarative and reproducible software environments suitable for computational materials…
Software container solutions have revolutionized application development approaches by enabling lightweight platform abstractions within the so-called "containers." Several solutions are being actively developed in attempts to bring the…
High-performance computing (HPC) systems must support fast-moving software stacks, especially in AI/ML, while preserving scheduler control, scalable startup, and production performance. Yet many HPC container solutions rely on specialized…
The HPC community is actively researching and evaluating tools to support execution of scientific applications in cloud-based environments. Among the various technologies, containers have recently gained importance as they have…
High Performance Computing~(HPC) software stacks have become complex, with the dependencies of some applications numbering in the hundreds. Packaging, distributing, and administering software stacks of that scale is a complex undertaking…
Containerization technology offers lightweight OS-level virtualization, and enables portability, reproducibility, and flexibility by packing applications with low performance overhead and low effort to maintain and scale them. Moreover,…
To reproduce eScience, several challenges need to be solved: scientific workflows need to be automated; the involved software versions need to be provided in an unambiguous way; input data needs to be easily accessible; High-Performance…
Edge computing addresses critical limitations of cloud computing such as high latency and network congestion by decentralizing processing from cloud to the edge. However, the need for software replication across heterogeneous edge devices…
Virtual screening (VS) is a computationally intensive process crucial for drug discovery, often requiring significant resources to analyze large chemical libraries and predict ligand-protein interactions. This study evaluates the…
High Energy Physics (HEP) experiments are making increasing use of GPUs and GPU dominated High Performance Computer facilities. Both the software and hardware of these systems are rapidly evolving, creating challenges for experiments to…
The increasing interest in the usage of Artificial Intelligence techniques (AI) from the research community and industry to tackle "real world" problems, requires High Performance Computing (HPC) resources to efficiently compute and scale…