Main Page

Welcome to the SNIC knowledge base and documentations site.

NOTE: This site is under constant development and is still in the early days of it's existence!

The aim of this site is that you should be able to get information, help, tips-and-tricks, etc. regarding the most widely used computational tools.

Application Experts

• Rossen Apostolov, PDC
• Lilit Axner, PDC
• Chandan Basu, NSC
• Mattias Chevalier, PDC
• Michael Djurfeldt, PDC
• Torgny Faxén, NSC
• Anders Hast, Uppmax
• Joel Hedlund, NSC
• Joachim Hein, Lunarc
• Jonas Lindemann, Lunarc
• Johan Raber, NSC
• Torben Rasmussen, NSC
• Åke Sandgren, HPC2N
• Mattias Slabanja, C3SE
• Ola Spjuth, Uppmax
• Daniel Spångberg, Uppmax
• Olav Vahtras, PDC
• Jonathan Vincent, PDC

Scientific Topics

Computational Chemistry

Prominent Software

• Quantum Chemistry
  1. Gaussian
  2. NWChem

• Molecular Dynamics
  1. GROMACS
  2. Namd
  3. Amber

• Monte Carlo Thermodynamics
• QSAR

Computational Physics

Prominent Software

Condensed Matter

• VASP

Bioinformatics

• Sequence analysis
  • Blast
  • HMMER
  • Multiple sequence alignment
• Computational evolutionary biology
  • MrBayes
• Docking
• Molecular Modeling

Meteorology and Climatology

• ECEARTH
• RCA
• RCO
• NEMO

Visualization and post-processing

• Grace
• Gnuplot

Software Development

• Compilers and Libraries
  1. Intel, PGI, GNU Compilers
  2. MPI
  3. BLAS
  4. MKL
• Profiling and Debugging
  1. TotalView
  2. Vampir
  3. Valgrind
  4. Intel trace analyzer

Using This Wiki

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Please do not upload or otherwise publish copyrighted material on this wiki.