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General HPC usage

These workshops contain information going beyond simply using the cluster. Feel free to dive deeper into the knowledge we offer.

  • Deep Dive Into Containers
    • Practical Course in High-Performance Computing
      • Secure HPC - Parallel Computing with highest security
        • Using Jupyter notebooks on HPC
          Last modified: 2025-05-27 06:59:41
          • Instructor Lead
          • Training
          • Home

          • 1. Start Here
            • Getting An Account
            • Cluster Overview
            • Types of User Accounts
            • Connecting (SSH)
              • Installing SSH Clients
              • Generating SSH Keys
              • Uploading SSH Keys
              • Configuring SSH
              • Logging In
              • SSH Troubleshooting
                • "Corrupted MAC" errors on Windows
                • Error: "permission denied"
                • Warning: unprotected key file
              • SSH FAQ
                • Is password authentication supported?
                • What 2FA methods are available?
                • What type of user account do I have?
                • Why are only ed25519, ed25519-sk, and 4096-bit rsa keys recommended?
            • NHR Application Process
              • Apply for a Compute Project
              • Proposal Format
              • JARDS - Guide to filling out
            • KISSKI Application Process
            • Accounting Core-h
            • Science Domains
              • AI
              • Chemistry
              • Data Science
              • Digital Humanities
              • Earth Science
              • Engineering
              • Forest
              • Mathematics
              • Quantum Computing
          • 2. How to use...
            • Slurm
              • Multiple programs and multiple data
              • GPU Usage
              • Interactive Jobs
              • Job arrays
              • Job runtimes and QoS
              • Multiple concurrent programs on a single node
              • Resource monitoring and Reports
              • Self-Resubmitting jobs
            • Compute Partitions
              • CPU Partitions
              • GPU Partitions
            • Compilers
              • Workflow compiler
              • Hybrid Jobs
              • Linking the MKL version of fftw3
              • MPI and OpenMP
              • Workflow Intel MPI
              • Workflow OpenMP
              • Workflow OpenMPI
            • Spack
              • Spack FAQs
            • Storage Systems
              • Data Stores
                • HOME
                • Project
                • SCRATCH/WORK
                • ARCHIVE/PERM
                • Requestable Storage
              • Cluster Storage Map
              • Quota
                • Checking Usage And Quotas
                • Fixing Quota Issues
                • Increasing Quota
              • Temporary Storage
              • Project Map
              • Optimizing IO Performance
            • Data Transfers
            • Terminal multiplexer
            • SSH
          • 3. Software Stacks
            • Module Basics
            • Software Licensing
            • Spack
            • Available modules
              • Apptainer (formerly Singularity)
              • GWDG Modules (gwdg-lmod)
                • Software Revision 25.04
                  • Emmy Core Modules
                  • Emmy GCC11 Modules
                  • Emmy GCC14 Modules
                  • Emmy Intel Modules
                  • Grete Core Modules
                  • Grete GCC13 Modules
              • NHR Modules (nhr-lmod)
                • Software Revision 24.05
                  • Emmy Core Modules (24.05)
                  • Emmy Intel Modules (24.05)
                  • Grete Core Modules (24.05)
              • SCC Modules (scc-lmod)
              • HLRN Modules (hlrn-tmod)
                • Devtools Compiler Debugger
                  • Anaconda (conda) and Mamba
                  • antlr
                  • Arm DDT
                  • Charm++
                  • Intel oneAPI Compiler Suite
                  • Intel oneAPI MPI
                  • Intel oneAPI Performance Tools
                    • VTune Profiler
                    • VTune Profiler (extended workshop version)
                  • Julia
                  • LIKWID Performance Tool Suite
                  • OpenMPI
                  • Patchelf
                  • Python
                  • Valgrind instrumentation framework
                  • VS Code
                • Legacy Applications
                  • Abaqus
                  • AEC library
                    • Install AEC GNU
                    • Install AEC Intel
                  • BLAS
                  • CDO
                  • Chemistry
                    • CP2K
                    • Exciting
                    • GPAW
                    • GROMACS
                    • NAMD
                    • Octopus
                    • Quantum ESPRESSO
                    • RELION
                    • VASP
                    • Wannier90
                  • CP2K
                  • Data Manipulation
                    • AEC library
                      • Install AEC GNU
                      • Install AEC Intel
                    • CDO
                    • ECCODES
                      • Installing ECCODES
                        • Install ecCodes with intel compilers
                        • Install ecCodes with gcc
                    • HDF5 Libraries and Binaries
                      • HDF5 Installation
                        • Enable autotools
                        • HDF5 1.12.2 configuration
                        • HDF5 1.12.2 parallel (impi) installation
                        • HDF5 1.12.2 parallel (ompi) installation
                        • Libaec Installation
                    • Libtiff
                    • NCO
                    • netCDF
                      • Install netCDF
                      • Linking with the netcdf library
                        • Example netcdf program
                    • Octave
                    • pigz
                    • PROJ
                    • R
                      • Installing R and R-packages
                    • Szip
                    • UDUNITS2
                  • ECCODES
                    • Installing ECCODES
                      • Install ecCodes with intel compilers
                      • Install ecCodes with gcc
                  • Engineering
                    • Abaqus
                    • How to bring your own license
                    • STAR-CCM+
                  • Exciting
                  • FFTW3
                    • The Fftw3-Installation at HLRN
                  • GPAW
                  • GROMACS
                  • GSL
                    • Configure and make GSL
                  • HDF5 Libraries and Binaries
                    • HDF5 Installation
                      • Enable autotools
                      • HDF5 1.12.2 configuration
                      • HDF5 1.12.2 parallel (impi) installation
                      • HDF5 1.12.2 parallel (ompi) installation
                      • Libaec Installation
                  • How to bring your own license
                  • libcurl
                  • Libtiff
                  • libz
                  • Miscellaneous
                    • libcurl
                    • libz
                    • nocache
                  • MUMPS
                  • NAMD
                  • NCO
                  • netCDF
                    • Install netCDF
                    • Linking with the netcdf library
                      • Example netcdf program
                  • NFFT
                    • Building NFFT
                  • nocache
                  • Numerics
                    • BLAS
                    • FFTW3
                      • The Fftw3-Installation at HLRN
                    • GSL
                      • Configure and make GSL
                    • MUMPS
                    • NFFT
                      • Building NFFT
                    • ScaLAPACK
                    • Scotch
                  • Octave
                  • Octopus
                  • pigz
                  • PROJ
                  • Quantum ESPRESSO
                  • R
                    • Installing R and R-packages
                  • RELION
                  • ScaLAPACK
                  • Scotch
                  • STAR-CCM+
                  • Szip
                  • UDUNITS2
                  • VASP
                  • Visualization tools
                    • GraDS
                    • NCL
                    • NcView
                    • ParaView
                    • pyfesom2
                  • Wannier90
            • Applications
              • Ansys Suite
                • CFX
                • Fluent
                • LS-DYNA
                • Mechanical
              • Ferret (Apptainer)
              • Foam-extend
              • Gaussian
              • Likwid
              • MATLAB
              • OpenFOAM
              • TURBOMOLE
            • Compilers and Interpreters
              • AMD Optimizing Compilers (AOCC)
              • Conda & Python
                • Tensorflow
              • CPython
              • GCC
              • Go
              • Intel Compilers
              • Julia
              • LLVM (Clang, etc.)
              • MATLAB PARALLEL SERVER ON THE SCC
              • Nvidia HPC Compilers
              • R
              • rustc
            • Parallelization
              • MPI
                • OpenMPI
                • Intel MPI
              • OpenACC
              • OpenCL
                • Nvidia Driver
                • PoCL
              • OpenMP
              • Apache Spark
          • 4. Services
            • Arcana/RAG
              • AI Transparency Statement
              • Datenschutzhinweis
              • Terms of use
              • Setting up an Arcana
              • How to use Arcana
              • Docling process
              • Public Arcana links
              • RAG Service
              • Support and FAQ
            • Chat AI
              • Available Models
              • Chat AI FAQ
              • Personas
              • Data Privacy Notice
              • Datenschutzhinweis
              • Terms of use
            • CoCo AI
            • Data Pool
              • Validator
            • GöDL - Data Catalog
            • Image AI
              • Image-AI FAQ
              • Data Privacy Notice
              • Datenschutzhinweis
              • Terms of use(English)
              • Terms of use(German)
            • JupyterHub
              • Creating your own JuypterHPC container
            • Neuromorphic Computing
              • Neuromorphic Computing Tools and Libraries
              • SpiNNaker
            • Protein-AI
              • Protein-AI FAQ
              • Terms of use
            • Quantum Computing Simulators
              • QC Simulators FAQ
              • Qibo
              • Qiskit
              • Qsim and Cirq
              • Qulacs
              • QuTip
            • RStudio-JupyterHub
            • SAIA
            • Secure HPC
              • Getting Started
              • Success stories
              • User Guide
            • Software Performance Engineering
            • Voice-AI
              • Voice-AI FAQ
              • Data Privacy Notice
              • Datenschutzhinweis
              • Terms of use
          • 5. Project Management
            • Project Portal
            • User Perspective
            • Managing a Project
            • Applying for projects on the SCC
            • Data Migration Guide
            • NHR/HLRN Project Migration
            • Project Structure
          • 6. Training
            • Community Events
              • NHR Roadshow
            • GWDG Academy
              • HPC Beginners Courses
                • Getting started with Linux Bash
                • How to KISSKI
                • Supercomputing for every scientist
                • Using the GWDG Scientific Compute Cluster
              • General HPC usage
                • Deep Dive Into Containers
                • Practical Course in High-Performance Computing
                • Secure HPC - Parallel Computing with highest security
                • Using Jupyter notebooks on HPC
              • Advanced HPC Topics
                • High Performance Data Analytics: Big Data meets HPC
                • Monitoring HPC Systems in the GWDG
                • Practical: High-Performance Computing System Administration
                • Quantum Computing with Simulators on HPC
                • System, User and Developer Perspectives on Parallel I/O
              • Performance Engineering
                • Introduction to Performance Engineering
                • Parallel Programming with MPI
                • Performance Analysis of AI and HPC Workloads
              • Artificial Intelligence / GPU Programming
                • Deep Learning Bootcamp: Building and Deploying AI Models
                • Deep Learning with GPU Cores
                • Effectively Utilize AI Tools in Research
                • Fundamentals of Accelerated Computing with CUDA Python
                • GPU Programming with CUDA
                • KI in der Verwaltung: Eine Einführung in die Nutzung für alle Mitarbeiter*innen
              • Data Management in HPC
                • Data Management Concepts for Efficient and User-Friendly HPC
                • Using the GöDL Data Catalog for Semantic Data Access on the GWDG HPC Systems
                • Using the GWDG Data Pools for Scientific Data Sharing
              • Application Science / Science Domains
                • Ansys on Cluster and Post-Processing of Simulation Results
                • Debugging Scientific Applications - Illustration on OpenFOAM
                • Introduction to AlphaFold
                • Introduction to Research Software Development with MATLAB
                • Parallel Computing with MATLAB Part I: Parallelize on your local machine
                • Parallel Computing with MATLAB Part II: Scaling up to the GWDG Scientific Compute Cluster
                • Snakemake for HPC Workflows
            • HPC Workshops
            • Self Paced tutorials
              • Linux bash tutorial
              • Slurm tutorial
          • 7. Support
            • Known issues
          • Citing us

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