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From SNIC Documentation
Revision as of 10:36, 2 March 2011 by Rossen Apostolov (PDC) (talk | contribs) (Prominent Software)
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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

System Experts

Scientific Topics

Computational Chemistry

Prominent Software

  • Molecular Dynamics
    1. GROMACS
    2. Namd
    3. Amber
  • Monte Carlo Thermodynamics
  • QSAR

Computational Physics

Prominent Software

Condensed Matter

  • VASP

Astrophysics

Fluid simulations

  • Edge - Edge is an unstructured CFD solver developed at the Swedish Defence Research Agency.
  • Fluent
  • OpenFOAM
  • Sinsom - Simson is a software package that implements an efficient spectral integration technique to solve the Navier-Stokes equations for incompressible channel and boundary layer flows.

Bioinformatics

Bioinformatics is the science of handling information in biology. See also the Bioinformatics category page.

Prominent software

  • Sequence analysis
    • BLAST, FASTA - sequence similarity search and pairwise local alignment.
    • HMMER - pattern recognition for protein families or domains.
    • Multiple sequence alignment - simultaneous alignment of multiple biological sequences.
  • Computational evolutionary biology
    • PHYLIP - Phylogeny.
    • MrBayes - MCMC prediction of phylogenetic trees.
  • Molecular Modeling
    • GROMACS - molecular dynamics, Newtonian simulation of motion.
    • Dalton - Dalton is a powerful molecular electronic structure program, with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.
  • Neurobiology
    • MUSIC - C++ library implementing an API which allows large scale neuronal network simulators to exchange data during runtime.

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

Grid information (SweGrid/Swestore)

SweGrid User's Guide

Swestore

Using This Wiki

Consult the User's Guide for information on using the wiki software. For formatting and mediawiki markup details see Formatting. For adding links see Links. Also have a look at the MediaWiki FAQ.

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