From HP-SEE Wiki

Contents 1 Parellel Programming 2 Workflows 3 Generals Scientific and Numeric Libraries 4 Virtual Research Communities Specific Libraries 4.1 Computational Physics VRC 4.2 Computational Chemistry VRC 4.3 Life Sciences VRC 5 Templates

Parellel Programming

• MPICH-1
• MPICH-2
• OpenMP
• CUDA
• Pthreads

Workflows

• gUSE portal usage guideline

Generals Scientific and Numeric Libraries

• I/O, communication, and general purpose utilities
  • NetCDF
  • charm++
• Math
  • BLACS
  • BLAS
  • GotoBLAS
  • ATLAS
  • FFTW
  • Intel MKL
  • MATLAB
  • ScaLAPACK
  • SciPy
  • SPRNG

Virtual Research Communities Specific Libraries

Computational Physics VRC

• OpenCV
• OpenFOAM
• ROOT

Computational Chemistry VRC

• GAUSSIAN
• GROMACS
• AMBER
• CPMD
• GAMESS
• MMTSB
• NAMD
• NWCHEM
• VMD

Life Sciences VRC

• BioPerl
• libsvm
• NEURON
• RAxML

Templates

• library