Software Applications

The primary use of LoBoS is to allow computational chemistry applications to be run in a massively parallel environment. The most common applications to date have been quantum and classical simulations of biological systems, neural network analysis of experimental neuron signal data and parallelization methods development.

Application Software

CHARMM Molecular Modeling documentation
Benchmarks on different parallel platforms
AMBER Molecular Modeling documentation
AMBER Home Page
GAMESS-UK Ab initio documentation (at Daresbury Labs)
GAMESS-UK Home Page
GAMESS (US) Ab initio documentation
GAMESS (US) Home Page

Enabling Parallelization Software

MPI Message Passing Interface Standard Various Implementations
MPICH Home Page
MPICHdocumentation
MPICHman pages

MP_Lite Implementation
VIA Virtual Interface Architecture Standard M-VIA Implementation
M-VIA documentation

Compilers

PGI documentation
Portland Group, Inc. Home page

MySQL

MySQL2

Operating System Software

Linux Freely available and robust implementation of UNIX
RedHat distribution
Debian distribution

10,100, Gigabit Ethernet Drivers Freely available and reliable