A grid site reimagined: Building a fully cloud-native ATLAS Tier 2 on Kubernetes

The University of Victoria (UVic) operates an Infrastructure-asa-Service scientific cloud for Canadian researchers, and a Tier 2 site for the ATLAS experiment at CERN as part of the Worldwide LHC Computing Grid (WLCG). At first, these were two distinctly separate systems, but over time we have taken steps to migrate the Tier 2 grid services to the cloud. This process has been significantly facilitated by basing our approach on Kubernetes, a versatile, robust, and very widely adopted automation platform for orchestrating containerized applications. Previous work exploited the batch capabilities of Kubernetes to run grid computing jobs and replace the conventional grid computing elements by interfacing with the Harvester workload management system of the ATLAS experiment. However, the required functionality of a Tier 2 site encompasses more than just batch computing. Likewise, the capabilities of Kubernetes extend far beyond running batch jobs, and include for example scheduling recurring tasks and hosting long-running externally-accessible services in a resilient way. We are now undertaking the more complex and challenging endeavour of adapting and migrating all remaining services of the Tier 2 site — such as APEL accounting and Squid caching proxies, and in particular the grid storage element — to cloud-native deployments on Kubernetes. We aim to enable fully comprehensive deployment of a complete ATLAS Tier 2 site on a Kubernetes cluster via Helm charts, which will benefit the community by providing a streamlined and replicable way to install and configure an ATLAS site. We also describe our experience running a high-performance self-managed Kubernetes ATLAS Tier 2 cluster at the scale of 8 000 CPU cores for the last two years, and compare with the conventional setup of grid services

An intelligent Data Delivery Service for and beyond the ATLAS experiment

The intelligent Data Delivery Service (iDDS) has been developed to cope with the huge increase of computing and storage resource usage in the coming LHC data taking. iDDS has been designed to intelligently orchestrate workflow and data management systems, decoupling data pre-processing, delivery, and main processing in various workflows. It is an experiment-agnostic service around a workflow-oriented structure to work with existing and emerging use cases in ATLAS and other experiments. Here we will present the motivation for iDDS, its design schema and architecture, use cases and current status, and plans for the future.Comment: 6 pages, 5 figure

ATLAS Data Analysis using a Parallel Workflow on Distributed Cloud-based Services with GPUs

A new type of parallel workflow is developed for the ATLAS experiment at the Large Hadron Collider, that makes use of distributed computing combined with a cloud-based infrastructure. This has been developed for a specific type of analysis using ATLAS data, one popularly referred to as Simulation-Based Inference (SBI). The JAX library is used for the parts of the workflow to compute gradients as well as accelerate program execution using just-in-time compilation, which becomes essential in a full SBI analysis and can also offer significant speed-ups in more traditional types of analysis

The ATLAS experiment software on ARM

With an increased dataset obtained during the Run 3 of the LHC at CERN and the even larger expected increase of the dataset by more than one order of magnitude for the HL-LHC, the ATLAS experiment is reaching the limits of the current data processing model in terms of traditional CPU resources based on x86_64 architectures and an extensive program for software upgrades towards the HL-LHC has been set up. The ARM architecture is becoming a competitive and energy efficient alternative. Some surveys indicate its increased presence in HPCs and commercial clouds, and some WLCG sites have expressed their interest. Chip makers are also developing their next generation solutions on ARM architectures, sometimes combining ARM and GPU processors in the same chip. Consequently it is important that the ATLAS software embraces the change and is able to successfully exploit this architecture. We report on the successful porting to ARM of the Athena software framework, which is used by ATLAS for both online and offline computing operations. Furthermore we report on the successful validation of simulation workflows running on ARM resources. For this we have set up an ATLAS Grid site using ARM compatible middleware and containers on Amazon Web Services (AWS) ARM resources. The ARM version of Athena is fully integrated in the regular software build system and distributed in the same way as other software releases. In addition, the workflows have been integrated into the HEPscore benchmark suite which is the planned WLCG wide replacement of the HepSpec06 benchmark used for Grid site pledges. In the overall porting process we have used resources on AWS, Google Cloud Platform (GCP) and CERN. A performance comparison of different architectures and resources will be discussed

Extending Rucio with modern cloud storage support

Rucio is a software framework designed to facilitate scientific collaborations in efficiently organising, managing, and accessing extensive volumes of data through customizable policies. The framework enables data distribution across globally distributed locations and heterogeneous data centres, integrating various storage and network technologies into a unified federated entity. Rucio offers advanced features like distributed data recovery and adaptive replication, and it exhibits high scalability, modularity, and extensibility. Originally developed to meet the requirements of the high-energy physics experiment ATLAS, Rucio has been continuously expanded to support LHC experiments and diverse scientific communities. Recent R&D projects within these communities have evaluated the integration of both private and commercially-provided cloud storage systems, leading to the development of additional functionalities for seamless integration within Rucio. Furthermore, the underlying systems, FTS and GFAL/Davix, have been extended to cater to specific use cases. This contribution focuses on the technical aspects of this work, particularly the challenges encountered in building a generic interface for self-hosted cloud storage, such as MinIO or CEPH S3 Gateway, and established providers like Google Cloud Storage and Amazon Simple Storage Service. Additionally, the integration of decentralised clouds like SEAL is explored. Key aspects, including authentication and authorisation, direct and remote access, throughput and cost estimation, are highlighted, along with shared experiences in daily operations

Utilizing Distributed Heterogeneous Computing with PanDA in ATLAS

In recent years, advanced and complex analysis workflows have gained increasing importance in the ATLAS experiment at CERN, one of the large scientific experiments at LHC. Support for such workflows has allowed users to exploit remote computing resources and service providers distributed worldwide, overcoming limitations on local resources and services. The spectrum of computing options keeps increasing across the Worldwide LHC Computing Grid (WLCG), volunteer computing, high-performance computing, commercial clouds, and emerging service levels like Platform-as-a-Service (PaaS), Container-as-a-Service (CaaS) and Function-as-a-Service (FaaS), each one providing new advantages and constraints. Users can significantly benefit from these providers, but at the same time, it is cumbersome to deal with multiple providers, even in a single analysis workflow with fine-grained requirements coming from their applications’ nature and characteristics. In this paper, we will first highlight issues in geographically-distributed heterogeneous computing, such as the insulation of users from the complexities of dealing with remote providers, smart workload routing, complex resource provisioning, seamless execution of advanced workflows, workflow description, pseudointeractive analysis, and integration of PaaS, CaaS, and FaaS providers. We will also outline solutions developed in ATLAS with the Production and Distributed Analysis (PanDA) system and future challenges for LHC Run4

Distributed Machine Learning Workflow with PanDA and iDDS in LHC ATLAS

Machine Learning (ML) has become one of the important tools for High Energy Physics analysis. As the size of the dataset increases at the Large Hadron Collider (LHC), and at the same time the search spaces become bigger and bigger in order to exploit the physics potentials, more and more computing resources are required for processing these ML tasks. In addition, complex advanced ML workflows are developed in which one task may depend on the results of previous tasks. How to make use of vast distributed CPUs/GPUs in WLCG for these big complex ML tasks has become a popular research area. In this paper, we present our efforts enabling the execution of distributed ML workflows on the Production and Distributed Analysis (PanDA) system and intelligent Data Delivery Service (iDDS). First, we describe how PanDA and iDDS deal with large-scale ML workflows, including the implementation to process workloads on diverse and geographically distributed computing resources. Next, we report real-world use cases, such as HyperParameter Optimization, Monte Carlo Toy confidence limits calculation, and Active Learning. Finally, we conclude with future plans

Accelerating science: The usage of commercial clouds in ATLAS Distributed Computing

The ATLAS experiment at CERN is one of the largest scientific machines built to date and will have ever growing computing needs as the Large Hadron Collider collects an increasingly larger volume of data over the next 20 years. ATLAS is conducting R&D projects on Amazon Web Services and Google Cloud as complementary resources for distributed computing, focusing on some of the key features of commercial clouds: lightweight operation, elasticity and availability of multiple chip architectures. The proof of concept phases have concluded with the cloud-native, vendoragnostic integration with the experiment’s data and workload management frameworks. Google Cloud has been used to evaluate elastic batch computing, ramping up ephemeral clusters of up to O(100k) cores to process tasks requiring quick turnaround. Amazon Web Services has been exploited for the successful physics validation of the Athena simulation software on ARM processors. We have also set up an interactive facility for physics analysis allowing endusers to spin up private, on-demand clusters for parallel computing with up to 4 000 cores, or run GPU enabled notebooks and jobs for machine learning applications. The success of the proof of concept phases has led to the extension of the Google Cloud project, where ATLAS will study the total cost of ownership of a production cloud site during 15 months with 10k cores on average, fully integrated with distributed grid computing resources and continue the R&D projects

Managing the ATLAS Grid through Harvester

ATLAS Computing Management has identified the migration of all resources to Harvester, PanDA’s new workload submission engine, as a critical milestone for Run 3 and 4. This contribution will focus on the Grid migration to Harvester. We have built a redundant architecture based on CERN IT’s common offerings (e.g. Openstack Virtual Machines and Database on Demand) to run the necessary Harvester and HTCondor services, capable of sustaining the load of O(1M) workers on the grid per day. We have reviewed the ATLAS Grid region by region and moved as much possible away from blind worker submission, where multiple queues (e.g. single core, multi core, high memory) compete for resources on a site. Instead we have migrated towards more intelligent models that use information and priorities from the central PanDA workload management system and stream the right number of workers of each category to a unified queue while keeping late binding to the jobs. We will also describe our enhanced monitoring and analytics framework. Worker and job information is synchronized with minimal delays to a CERN IT provided Elastic Search repository, where we can interact with dashboards to follow submission progress, discover site issues (e.g. broken Compute Elements) or spot empty workers. The result is a much more efficient usage of the Grid resources with smart, built-in monitoring of resources