Computing Info

This page started May 19, 2007. All most all links are missing; please suggest. Older versiion is available. Suggestions welecome.

Table of Contents

1. Platforms see group and group/local for in house.
2. Compilers use "module avail" to see inhouse resources.
3. Packages used by group; see group/local for in house.
4. Potentials used by group
5. Wavefunctions et al. used by
6. MPI from OSU DK Panda's group group.

1. Platforms

• OSC
• NCSA
• DOE HPC. See also nersc   ornl   anl   pnnl          
• peta

2. Compilers

3. Packagess

• DFT + addons
  • VASP manul; general
• QMC
  • CHAMP
• TB
  • Kirchhoff
• MD
  • OHMMS

4. Potentials

• DFT
• QMC
• TB
• MD

5. Wavefunctions et al.

• Planewave
• Gaussians