Material of events hosted by SuperComputing Luxembourg, the National Competence Centre in High-Performance Computinghttps://ncclux.github.io/NCC-Trainings/ https://github.com/NCCLUX/NCC-Trainings/en Mon, 04 May 2026 11:22:02 -0000 Mon, 04 May 2026 11:22:02 -0000 1440 MkDocs RSS plugin - v1.19.0 figures/Logo_SC_Luxembourg.png https://ncclux.github.io/NCC-Trainings/ <p>This webpage contains the training hosted by <a href="https://supercomputing.lu/">SuperComputing Luxembourg</a>, the National Competence Centre in High-Performance Comp...</p> https://ncclux.github.io/NCC-Trainings/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/ <p>Bootcamps are one or two day events designed to teach scientists and researchers how to quickly start developing software for on modern HPC systems (such a...</p> https://ncclux.github.io/NCC-Trainings/bootcamps/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/bootcamps/ <p>The NCC Supercompuing Luxembourg, in collaboration with NVIDIA and OpenACC.org, is hosting online the AI for Science and Engineering Bootcamp during 2 half-...</p> https://ncclux.github.io/NCC-Trainings/bootcamps/ai/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/bootcamps/ai/ <h2>Materials and timeline</h2> <p>This 2-day Bootcamp will be hosted online (CET time). All communication will be done through Zoom, Slack and email.</p> <p>Further more ...</p> https://ncclux.github.io/NCC-Trainings/bootcamps/ai/handson/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/bootcamps/ai/handson/ <h2>1. Login to MeluXina machine</h2> <p>You can find instructions on how to access the MeluXina machine in [MeluXina documentation](https://docs.lxp.lu/first-steps/...</p> https://ncclux.github.io/NCC-Trainings/bootcamps/ai/preparation/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/bootcamps/ai/preparation/ <p>Courses are online trainings designed to be completed in one day. This format is considered a more efficient way of learning for experienced professionals ...</p> https://ncclux.github.io/NCC-Trainings/courses/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/ <h1>Environment management and containers for HPC systems</h1> <p>Environment management and containerization in shared computing resources like HPC systems and works...</p> https://ncclux.github.io/NCC-Trainings/courses/containerization/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/containerization/ <h1>Containers</h1> <p>Operating systems like GNU/Linux consists of 2 components, the kernel and the user space. The kernel contains the hardware drivers and provides...</p> https://ncclux.github.io/NCC-Trainings/courses/containerization/containers/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/containerization/containers/ <h1>The Linux environment</h1> <p>Environment management in shared computing resources like HPC systems and workstations involves a collection of techniques that allo...</p> https://ncclux.github.io/NCC-Trainings/courses/containerization/introduction/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/containerization/introduction/ <h1>Electronic structure methods used in industry from pharmaceuticals materials and beyond</h1> <blockquote> <p>Author: [Ariadni Boziki](https://www.uni.lu/fstm-en/people/ariad...</p> </blockquote> https://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/ <h1>Density Functional Theory (DFT) calculations in PySCF</h1> <p>This set of exercises comprises all the information you need to run a DFT calculation in PySCF. Afte...</p> https://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/DFT_in_PySCF/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/DFT_in_PySCF/ <h1>Hartree-Fock calculations in PySCF</h1> <p>Hartree-Fock calculations in PySCF This set of exercises comprises all the information you need to run a Hartree-Fock c...</p> https://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/Hartree-Fock_in_PySCF/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/Hartree-Fock_in_PySCF/ <h1>High-performance scientific computing using Julia</h1> <p>Have you already heard about <a href="https://julialang.org/">Julia</a>, the high-level, high-performance scientifi...</p> https://ncclux.github.io/NCC-Trainings/courses/julia/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/julia/ <h1>Accelerating Python with Multiple Nodes with MPI for Python</h1> <p>The Luxembourg SuperComputing Competence Center will host a half-day online course on accelera...</p> https://ncclux.github.io/NCC-Trainings/courses/mpi-python/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/mpi-python/ <h1>Introduction to numerical libraries</h1> <p>The Luxembourg SuperComputing Competence Center will host a half-day online course on numerical libraries. The course ...</p> https://ncclux.github.io/NCC-Trainings/courses/numerical-libraries/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/numerical-libraries/ <h1>Introduction to OpenACC for Heterogeneous Computing</h1> <figure markdown> [](... https://ncclux.github.io/NCC-Trainings/courses/openacc/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/openacc/ <h1>ompute Constructs</h1> <p>In this initial exercise, we will explore the process of offloading computational tasks to a device, specifically the GPU (Graphics Proc...</p> https://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-1/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-1/ <h2>Data Clauses</h2> <p>Vector addition is a fundamental operation in linear algebra that involves summing two vectors element-wise. Each component of the resulting...</p> https://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-2/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-2/ <h2>Collapse Clause</h2> <p>The collapse clause is an important feature for optimizing nested loops in parallel computing. When applied, it allows the entire section...</p> https://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-3/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-3/ <p>Unified memory simplifies the explicit data movement from the host to the device for programmers. The OpenACC API automatically manages data transfer between...</p> https://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-4/ Mon, 04 May 2026 11:17:30 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/openacc/exercise-4/