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Application Science / Science Domains

These courses cover specific scientific domains as well as specific pieces of software.

  • 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
                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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