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 Wed, 20 May 2026 10:48:41 -0000 Wed, 20 May 2026 10:48:41 -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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/containerization/introduction/ <h1>Introduction to GPU programming using CUDA</h1> <figure markdown> [](Training-CUDA.pdf... https://ncclux.github.io/NCC-Trainings/courses/cuda/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/ <h2>Hello World</h2> <p>Our first exercise would be to print out "Hello World" from the GPU. To do that, we need to do the following things:</p> <ul> <li>Run a part or the ent...</li> </ul> https://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-1/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-1/ <h2>Vector Addition</h2> <p>In this hands-on session, we will delve into the fundamentals of vector addition on the Graphics Processing Unit (GPU) utilizing the CUDA...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-2/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-2/ <h2>Matrix Multiplication</h2> <p>We will now look into basic matrix multiplication. In this tutorial, we will explore the process of matrix multiplication, a fundam...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-3/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-3/ <h2>Shared Memory - Matrix Multiplication</h2> <p>In this tutorial, we will explore the concept of shared memory matrix multiplication. This technique involves parti...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-4/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-4/ <h2>Unified Memory - Vector Addition</h2> <p>Unified memory streamlines the data transfer process between the host (CPU) and the device (GPU), minimizing the need fo...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-5/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/exercise-5/ <h2>1. Setting up the connetion</h2> <p>Please read the <a href="https://docs.lxp.lu/first-steps/quick_start/">instructions</a> on how to get access to the MeluXina machine.</p> <p>T...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/preparation/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/preparation/ <h2>Time measurement</h2> <p>In CUDA, the execution time can be measured by using the CUDA events. CUDA API events shall be created using <code>cudaEvent_t</code>, for example,...</p> https://ncclux.github.io/NCC-Trainings/courses/cuda/profiling/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/cuda/profiling/ <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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +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/ Wed, 20 May 2026 10:47:11 +0000 SuperComputing Luxembourg - National Competence Centerhttps://ncclux.github.io/NCC-Trainings/courses/electronic_structure_methods/Hartree-Fock_in_PySCF/