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SUMMARY:HPC Workloads in the Cloud. A practical intro webinar
DESCRIPTION:Register here\n\n\n\n\n\n\nAbout the webinar\n\n\n\nThere is a growing trend of deploying high-performance computing workloads in the cloud\, driven in part by significant investments from cloud providers\, especially in support of AI and machine learning workloads. However\, the tools and software stacks used in traditional on-premise HPC environments often differ from those available in the cloud. This disparity creates unnecessary complexity for users attempting to transition between the two ecosystems\, limiting the portability and scalability of HPC applications. \n\n\n\nOne way to reduce the complexity of transitioning to the cloud is by migrating HPC workflows in a structured and well-defined manner. By clearly defining each step and the specific requirements of the original HPC workload\, it becomes easier to take advantage of the scalability\, flexibility\, and services typically available in cloud environments. \n\n\n\nIn the HPC Workloads in the Cloud webinar\, we will explore the cloud ecosystem through the lens of an HPC specialist\, examining its advantages and limitations. We will also introduce key concepts and tools that can support the creation and management of cloud-based workflows\, including\, but not limited to\, Apache Airflow. \n\n\n\nWho is the webinar for?\n\n\n\nThis webinar is intended for HPC developers\, researchers and similar audience who wants to start introducing their workflows into the cloud\, or to understand the feasibility of doing so. \n\n\n\nKey takeaways\n\n\n\nAfter attending this seminar\, you will be able to: \n\n\n\n\nUnderstand the high-level functioning of containers and orchestrators (e.g.\, Docker and Kubernetes)\, along with their basic concepts and controls;\n\n\n\nBecome familiar with workflow-related concepts\, their advantages\, and one of the popular deployment tools (e.g.\, Apache Airflow);\n\n\n\nDescribe simple workflows in Apache Airflow and make informed decisions regarding workflow deployment.\n\n\n\n\nLesson material\n\n\n\nThe ENCCS Practical Intro webinar series aims to provide concise and condensed introductions to key topics in high-performance computing and related technologies. Webinar materials\, such as notebooks and code examples\, are made available online on GitHub. \n\n\n\nFor more thorough tutorials and self-study materials\, please visit the library of ENCCS lessons. \n\n\n\nSpeaker(s)\n\n\n\nDaniel Medeiros & Yonglei WangFor any practical questions\, please contact training@enccs.se. \n\n\n\nMore events & contact\n\n\n\nCheck out more upcoming events from ENCCS and our European network at https://enccs.se/events\, as well as our lessons\, suitable also for self-learning. \n\n\n\nFor questions regarding this workshop or general questions about ENNCS training events\, please contact training@enccs.se \n\n\n\nSchedules can change!\n\n\n\nTo ensure that everyone has the opportunity to participate\, we kindly request that you let us know as soon as possible if you are unable to attend an event after registering. \n\n\n\nPlease send us an email at training@enccs.se to cancel your attendance. \n\n\n\nWe understand things can change\, but repeated cancellations without notice may unfortunately result in your name being removed from future event registration lists. \n\n\n\n\n\n\n\nRegulations\n\n\n\nDue to EuroCC2 regulations\, we CAN NOT ACCEPT generic or private email addresses. Please use your official university or company email address for registration. \n\n\n\nThis training is for users who live and work in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 HERE.
URL:https://enccs.se/events/10-2025-hpc-workloads-in-the-cloud/
CATEGORIES:ENCCS Event
ATTACH;FMTTYPE=image/webp:https://media.enccs.se/2025/06/hpc-cloud-23.webp
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DTSTART;TZID=Europe/Stockholm:20251016T120000
DTEND;TZID=Europe/Stockholm:20251016T133000
DTSTAMP:20260418T225820
CREATED:20250611T061349Z
LAST-MODIFIED:20250912T091141Z
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SUMMARY:[Date changed] Quantum-Accelerated Supercomputing for Materials Science (Webinar)
DESCRIPTION:Register here\n\n\n\n\n\n\nAbout the webinar\n\n\n\nThis webinar introduces quantum-accelerated supercomputing approaches that combine traditional HPC resources with quantum computing accelerators for materials science applications. We’ll demonstrate a workflow for studying example problem from material science using hybrid quantum-classical methods\, showing how quantum embedding techniques can enable running parts of the atomistic simulations systems using quantum simulators\, which then can run on quantum hardware. Participants will learn about the integration of CP2K (classical DFT) with Qiskit-nature (quantum algorithms) through example computational material science workflow. \n\n\n\nWho is the webinar for?\n\n\n\n\nMaterials scientists and computational chemists interested in quantum computing applications\n\n\n\nHPC users working with atomistic simulations and DFT calculations\n\n\n\nResearchers exploring quantum-classical hybrid workflows\n\n\n\nSMEs working on chemistry usecases who are interested to expand their computational means to use quantum accelerators\n\n\n\nPhD students and postdocs in computational materials science\n\n\n\nAnyone curious about the practical applications of quantum computing in materials discovery\n\n\n\n\nKey takeaways\n\n\n\n\nUnderstanding quantum-centric supercomputing concepts and their advantages for materials science including quantum embedding technique\n\n\n\nLearning how quantum embedding reduces computational requirements whilst improving accuracy\n\n\n\nPractical knowledge of hybrid CP2K-Qiskit workflows for surface-adsorbate interactions for example\n\n\n\nInsights into ADAPT-VQE algorithms and their performance benefits\n\n\n\nReal-world application examples: screening eco-friendly corrosion inhibitors\n\n\n\nUnderstanding current limitations and future directions in quantum-accelerated materials science\n\n\n\n\nLesson material\n\n\n\n\nSlides covering quantum embedding theory and implementation\n\n\n\nLive demonstration of CP2K-Qiskit integration workflow\n\n\n\nCode examples and input files for corrosion inhibition calculations\n\n\n\nLinks to open-source repositories\, datasets and publications\n\n\n\nPractical exercises for hands-on learning\n\n\n\n\nSpeaker and moderator\n\n\n\nKarim Elgammal & Yonglei Wang. \n\n\n\n\n\n\n\nMore events & contact\n\n\n\nCheck out more upcoming events from ENCCS and our European network at https://enccs.se/events\, as well as our lessons\, suitable also for self-learning. \n\n\n\nFor questions regarding this workshop or general questions about ENNCS training events\, please contact training@enccs.se \n\n\n\nSchedules can change!\n\n\n\nTo ensure that everyone has the opportunity to participate\, we kindly request that you let us know as soon as possible if you are unable to attend the event after registering. \n\n\n\nPlease send us an email at training@enccs.se to cancel your attendance. \n\n\n\nWe understand things can change\, but repeated cancellations without notice may unfortunately result in your name being removed from future event registration lists. \n\n\n\n\n\n\n\nRegulations\n\n\n\nDue to EuroCC2 regulations\, we CAN NOT ACCEPT generic or private email addresses. Please use your official university or company email address for registration. \n\n\n\nThis training is for users who live and work in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 HERE.
URL:https://enccs.se/events/quantum-accelerated-sc-materials-science/
CATEGORIES:ENCCS Event
ATTACH;FMTTYPE=image/webp:https://media.enccs.se/2025/06/quantum-accelerated-materials-science.webp
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DTSTART;TZID=Europe/Stockholm:20251029T090000
DTEND;TZID=Europe/Stockholm:20251030T170000
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CREATED:20251010T141516Z
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SUMMARY:Performance monitoring with TAU and E4S on LUMI and Cloud HPC platforms
DESCRIPTION:Register here\n\n\n\n\n\n\nOverview\n\n\n\nKTH\, ParaTools\, the University of Oregon\, and ENCCS (EuroCC National Competence Centre Sweden) come together for the organization of this hybrid workshop. The event brings together code developers\, researchers\, and research software engineers working on high-performance computing (HPC). It provides an excellent opportunity for sharing innovative ideas and best practices for performance monitoring and software management on supercomputers and cloud platforms. This workshop includes: \n\n\n\n\nIntroduction to TAU\, TAU Performance System and the E4S project.\n\n\n\nPerformance Evaluation on LUMI and Commercial Cloud Platforms.\n\n\n\nInstrumentation of MPI and GPU (ROCm and CUDA) Applications.\n\n\n\nPerformance Data Management with TAUdb (TAU Database)\n\n\n\nAnalyzing performance data with ParaProf and PerfExplorer.\n\n\n\nContainers and Spack Package Managers in HPC with E4S.\n\n\n\nE4S (e4s-cl and e4s-alc) Tools on Commercial Cloud HPC Platforms.\n\n\n\nAI tools with Jupyter Notebooks\, Codium\, PyTorch\, JAX\, NVIDIA NeMo and BioNeMo.\n\n\n\n\nThe theoretical optimization of complex code is somewhat limited\, and great progress in scientific computing has been achieved through performance analysis tools. Indeed\, advances in massively parallel systems like the LUMI supercomputer and cloud HPC platforms have further boosted our understanding of complex phenomena at unprecedented resolutions. To leverage these resources effectively\, robust tools for performance monitoring\, debugging\, and software management are required. These tools enable the development of key applications for science\, industry\, and society.knowledge and enabling key applications for science\, industry\, and society. \n\n\n\nPerformance Monitoring with TAU and E4S\n\n\n\nThe TAU Performance System® is a state-of-the-art\, robust suite of tools for performance measurement\, analysis\, and visualization in high-performance computing (HPC). It is highly portable and supports the full range of HPC systems\, software\, and applications. TAU provides profiling and tracing capabilities for performance analysis of parallel programs written in Fortran\, C\, C++\, UPC\, Java\, and Python. \n\n\n\nTAU (Tuning and Analysis Utilities) can instrument code at the level of functions\, methods\, basic blocks\, or statements\, or via event-based sampling\, thereby capturing detailed performance data. It supports instrumentation inserted automatically (via the Program Database Toolkit)\, dynamically (for example with DyninstAPI)\, during runtime in the Java Virtual Machine\, or manually via its API. Its visualization tool\, ParaProf\, presents performance data graphically in both aggregate and per node/context/thread form\, allowing users to rapidly identify performance bottlenecks. TAU can also produce event traces compatible with Vampir\, Paraver\, or JumpShot trace viewers. \n\n\n\nThe E4S (Extreme-scale Scientific Software Stack) project is an open-source software ecosystem designed for developing\, deploying\, and running scientific and HPC/AI applications. It is a community effort to curate and maintain a collection of software packages\, enabling both from-source builds and containerized deployments across a broad spectrum of platforms. \n\n\n\nE4S provides container images\, pre-installed binaries\, and source builds of over a hundred HPC and AI software packages\, including libraries\, runtimes\, tools\, and frameworks\, ensuring performance portability across CPU and GPU architectures. It leverages the Spack package manager as its core delivery mechanism\, enabling reproducible\, customized\, and interoperable builds. \n\n\n\nThe E4S software distribution is rigorously tested on a wide range of platforms\, from laptops and departmental clusters to leadership-class supercomputers\, and supports container runtimes such as Docker\, Singularity\, Shifter\, and CharlieCloud. Releases of E4S are designed to expand support for evolving hardware architectures (for example\, new GPU platforms) and to incorporate widely used AI/ML frameworks and scientific applications. \n\n\n\nWhat you will learn\n\n\n\nAfter attending this workshop\, you will: \n\n\n\n• Understand core features of performance evaluation tools• Understand performance evaluation tools and techniques for CPU and GPU platforms• Understand how to optimize applications on AMD GPUs on LUMI and NVIDIA GPUs on Commercial Cloud Platforms• Use a comprehensive software stack for HPC and AI applications \n\n\n\nPrerequisites\n\n\n\n\nPhD students\, postdocs\, industry engineers\n\n\n\nBasic familiarity with general physics and plasma physic\n\n\n\nSome previous practical experience running some plasma code\n\n\n\nBasic familiarity with Unix shell\n\n\n\nBasic familiarity with HPC environment is helpful but not mandatory\n\n\n\n\nFormat/venue\n\n\n\nThe event is going to be held at the Stockholm RISE offices on KTH campus Drottning Kristinas väg 61 in room Sundblassalen. The closest metro station (marked T) is Tekniska Högskolan. However\, we will also broadcast the seminars and hands-on sessions live for online participants who will be able to participate actively in the workshop through live Q&A and chat.  \n\n\n\nAgenda\n\n\n\nFriday\, 24 October 2025 (14.00-18.00): HPC onboarding session (Online) \n\n\n\n\n~2 hour online session to help participants log into the LUMI cluster\n\n\n\n~2 hour online session to help participants log into the Cloud HPC cluster\n\n\n\n\nTuesday\, 28 October 2025 (10.00-12.00): HPC onboarding session (Online) \n\n\n\n\n~2 hour online Q&A session to clear unanswered HPC cluster questions.\n\n\n\n\nWednesday\, 29 October 2025: Working with TAU Performance System® \n\n\n\n\n\n\n	Time (CET)Topic\n\n\n\n\n	08.30-09.00Reception\n\n\n	09.00-09.15Welcome\, logistics and introductions\n\n\n\n	09.15-10.00Introduction to TAU (Tuning and Analysis Utilities)\n\n\n\n	10.00-10.30– TAU performance system setup on LUMI and Cloud HPC platforms \n– Hands-on: Simple MPI Examples\n\n\n\n	10.30-11.00Coffee break\n\n\n\n	11.00-12.00– Instrumentation: MPI\, GPU runtimes\, tau_exec\n– Hands-on: AWS examples using TAU and ParaProf\n– Performance Application Programming Interface (PAPI)\n\n\n\n	12.00-14.00Lunch\n\n\n\n	14.00-15.30– Hands-on: TAU and GPU (ROCm and CUDA) Runtime examples\n– Perfetto.dev trace visualiser\n\n\n\n	15.30-15.45Coffee break\n\n\n\n	15.45-16.45– TAUdb (TAU’s performance database)\n– PerfExplorer (TAU’s perfomance data mining environment)\n\n\n\n	16.45-17.00-Q&A and concluding remarks\n\n\n\n\n\n\n\nThursday\, 30 October 2025: Working with the E4S Project \n\n\n\n\n\n\n	Time (CET)Topic\n\n\n\n\n	08.30-09.00Reception\n\n\n	09.00-09.15Welcome\, logistics and introductions\n\n\n\n	09.15-10.00Introduction to E4S (Exascale Scientific Software Stack)\n\n\n\n	10.00-10.30– E4S system setup on LUMI and Cloud HPC platforms\n– Simple Docker and Singularity examples\n\n\n\n	10.30-11.00Coffee break\n\n\n\n	11.00-12.00– Containers in HPC\n– Spack package manager\n– Hands-on: MPI examples on LUMI and Cloud HPC platforms\n– Introduction to E4S tools\n\n\n\n	12.00-14.00Lunch\n\n\n\n	14.00-15.30– AI tools\n– Jupyter notebooks\n– Codium\n– Pytorch\, JAX\n– NVIDIA Nemo\n– NVIDIA BioNemo\n\n\n\n\n	15.30-15.45Coffee break\n\n\n\n	15.45-16.45– E4S e4s-cl and e4s-alc tools on commercial cloud HPC platforms\n– Hands-on: HPC and AI tools\n\n\n\n	16.45-17.00 Q&A and concluding remarks\n\n\n\n\n\n\n\nDisclaimer\n\n\n\nDue to EuroCC2 regulations\, we cannot except generic or private email addresses. Please use your official university or company email address. \n\n\n\nThis training is for users that live and work in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_e \n\n\n\nAdditional lesson materials\n\n\n\nDo you want to learn more about MPI\, GPU programming and other supercomputing-related fields? Take a look on our lessons page.
URL:https://enccs.se/events/performance-monitoring-with-tau-e4s/
LOCATION:Innoversum at Drottning Kristinas väg 61\, Drottning Kristinas väg 61\, Stockholm\, 114 28\, Sweden
CATEGORIES:Collaboration Event,ENCCS Event
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