Computational Science Resources

You are looking at the resources pages of the Computational Science scientific support unit at the Max Planck Institute for Structure and Dynamics of Matter in Hamburg, Germany.

The material here is meant to provide some guidance for research involving computation. See Introduction.

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Contents:

• 1. Introduction
  • 1.1. About these pages
• 2. Overview IT-related services
  • 2.1. Useful links
  • 2.2. Training Opportunities
• 3. High Performance Computing (HPC)
  • 3.1. Login nodes
  • 3.2. Job submission
  • 3.3. Software
  • 3.4. Jupyter notebooks
  • 3.5. Usage questions and support
• 4. Version control
  • 4.1. GWDG GitLab
  • 4.2. Further reading and training material on version control and Git
• 5. Research Data Management
  • 5.1. What are research data?
  • 5.2. What is research data management?
  • 5.3. Why do we need research data management?
  • 5.4. Research data life cycle
  • 5.5. Research data associated with a publication
  • 5.6. Dealing with data files
  • 5.7. File formats
  • 5.8. Useful links
• 6. Archiving research data
  • 6.1. What data to archive?
  • 6.2. Archival services
  • 6.3. Documenting the data (meta data)?
  • 6.4. Practical aspects storing data for long-term archival
  • 6.5. Using zip to create archive files
  • 6.6. Using 7zip to create archive files
  • 6.7. Using tar to create archive files
  • 6.8. The GWDG Archival service
  • 6.9. Related information
• 7. Keeper
  • 7.1. Features
  • 7.2. Quota (data size)
  • 7.3. Getting started
  • 7.4. Libraries
  • 7.5. Getting data into KEEPER (SeaFile)
  • 7.6. Notifications
  • 7.7. Sharing a library
  • 7.8. Usage experience
• 8. Zulip
  • 8.1. Introduction
  • 8.2. MPSD
  • 8.3. How to get started?
  • 8.4. Public streams
  • 8.5. Desktop and smartphone apps
  • 8.6. Further reading
• 9. Changelog

• Search Page

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1. Introduction