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Category :: Software_stacks

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  • Software Stacks
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  • 1. Start Here
    • Getting An Account
    • Connecting (SSH)
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        • "Corrupted MAC" errors on Windows
        • Error: "permission denied"
      • 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
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    • Accounting Core-h
    • Science Domains
      • AI
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  • 2. How to use...
    • The Clusters
    • Slurm
      • GPU Usage
      • Multiple concurrent programs on a single node
      • Job arrays
      • Self-Resubmitting jobs
      • Multiple programs and multiple data
    • 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
      • 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
    • Spack
    • Available modules
      • Apptainer (formerly Singularity)
      • 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
          • Ansys Suite
            • CFX
            • Fluent
            • LS-DYNA
            • Mechanical
          • BLAS
          • CDO
          • Chemistry
            • CP2K
            • Exciting
            • Gaussian
            • GPAW
            • GROMACS
            • NAMD
            • Octopus
            • Quantum ESPRESSO
            • RELION
            • TURBOMOLE
            • 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
            • Ansys Suite
              • CFX
              • Fluent
              • LS-DYNA
              • Mechanical
            • Foam-extend
            • How to bring your own license
            • OpenFOAM
            • STAR-CCM+
          • Exciting
          • Ferret (Apptainer)
          • FFTW3
            • The Fftw3-Installation at HLRN
          • Foam-extend
          • Gaussian
          • 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
            • Singularity
          • 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
          • OpenFOAM
          • pigz
          • PROJ
          • Quantum ESPRESSO
          • R
            • Installing R and R-packages
          • RELION
          • ScaLAPACK
          • Scotch
          • Singularity
          • STAR-CCM+
          • Szip
          • TURBOMOLE
          • UDUNITS2
          • VASP
          • Visualization tools
            • Ferret - Data Visualization and Analysis
            • GraDS
            • NCL
            • NcView
            • ParaView
            • pyfesom2
          • Wannier90
    • Applications
    • Compilers and Interpreters
      • AMD Optimizing Compilers (AOCC)
      • Conda & Python
      • CPython
      • GCC
      • Go
      • Intel Compilers
      • Julia
      • LLVM (Clang, etc.)
      • Nvidia HPC Compilers
      • R
      • rustc
    • Parallelization
      • MPI
        • OpenMPI
        • Intel MPI
      • OpenACC
      • OpenCL
        • Nvidia Driver
        • PoCL
      • OpenMP
  • 4. Services
    • Chat AI
      • Available Models
      • Chat AI FAQ
      • Personas
      • Terms of use
    • CoCo AI
    • JupyterHub
    • Protein-AI
      • Protein-AI FAQ
      • Terms of use
    • RStudio-JupyterHub
    • SAIA
    • Secure HPC
      • Getting Started
      • User Guide
    • Voice-AI
      • Voice-AI FAQ
      • Terms of use
  • 5. Project Management
    • Project Structure
    • User Perspective
    • Managing a Project
    • Data Migration Guide
    • Project Portal
    • NHR/HLRN Project Migration
  • 6. Training
    • Community Events
    • HPC Workshops
  • 7. Support
    • Known issues
  • Citing us
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