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DIPC Supercomputing Center - HPC documentation

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DIPC Supercomputing Center - HPC documentation

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Getting started
Getting started
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Systems
Running jobs
Running jobs
Interactive computing
Interactive computing
Software environment
Software environment
- Environment modules
- Shells and dotfiles
- Python
  Python
  - Your first environment
  - Python on the clusters
- Containers (Apptainer)
  Containers (Apptainer)
  - Getting started
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- GPU computing stack
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  - Nextflow
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Scientific software
Scientific software
- Software catalog
- Applications
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  - ABINIT
  - AIMAll
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    AlphaFold
    
    AlphaFold3
    
    Advanced Usage
    
    Benchmark
  - CASTEP
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    MCX
    
    Overview
    
    Walkthrough: skinvessel
  - NAMD
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  - WIEN2k
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- Scientific libraries
  Scientific libraries
  - ScaLAPACK
  - FFTW
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  - imkl-FFTW
- Machine Learning
  Machine Learning
  - PyTorch
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