RM600 Information


OVERVIEW

Getting Started


SOFTWARE

1) Compilers and Tools for Developing Applications

CDS++          (C/C++ Development System)
EPC C++ v.5.0 OnLine Manual
CDS++ online doc
CDS++ pdf doc
C/C++ Manuals & references

epcf90   -   Edinburgh Portable Compilers' Fortran 90 compiler
F90 EPC compiler directives
EPC edb Debugger OnLine Manual

fort77  - SNI  FORTRAN77 Compiler

gcc, g++ - GNU project C and C++ Compiler

JDK  v1.6  - Java Development Kit

PERL5  - Practical Extraction and Report Language

TCL/TK 8.0

2) Parallel software development tools

MPI   (Message Passing Interface)

MPE

ADAPTOR  (Automatic DAta Parallelism TranslatOR) is a tool that transforms
data parallel programs written in High Performance Fortran or Connection
Machine Fortran to parallel programs with explicit message passing.

Jumpshot - Graphical Visualization Tool for Parallel Programs

DCE     Distributed Computing Environment
 

3) Numerical algebra

BLAS    (Basic Linear Algebra Subprograms)  are high quality "building block" routines for performing basic vector and
matrix operations. Level 1 BLAS do vector-vector operations, Level 2 BLAS do matrix-vector operations, and Level 3
BLAS do matrix-matrix operations.

PBLAS  (Parallel Basic Linear Algebra Subprograms)

BLACS  (Basic Linear Algebra Communication Subprograms)

LAPACK  - is a library of Fortran 77 subroutines for solving  the most commonly occurring problems in numerical linear algebra.
lapack_RM600.a
LAPACK Users' Guide

ScaLAPACK  -  library of high performance linear
algebra routines   supporting MPI. ScaLAPACK, version 1.5, includes routines for the solution of dense, band, and tridiagonal linear systems of equations, condition estimation and   iterative refinement, for LU and Cholesky factorization, matrix inversion,    full-rank linear least squares problems, orthogonal and generalized orthogonal factorizations, orthogonal transformation routines, reductions to upper     Hessenberg, bidiagonal and tridiagonal form, reduction of a symmetric-definite/Hermitian-definite generalized eigenproblem to standard form, the   symmetric/Hermitian, generalized symmetric/Hermitian and the nonsymmetric   eigenproblem, and the singular value decomposition.  With the exception  of the symmetric/Hermitian eigenproblem and the singular value decomposition, all routines are available in four types: single precision real, double   precision real, single precision complex, and double precision complex.
ScaLAPACK tutorial
ScaLAPACK Users' Guide
 

4) Quantum chemistry  & visualization programs

Gamess

Mopac93
Downlaod user manuel and background material on theoretical techniques used in Mopac 93 mopac93.pdf

NDDO

Moldy - general-purpose molecular dynamics simulation program
Moldy User's Manual

bz    General Brillouin Zone plotting program.
The main functions within BZ are:
1. To calculate the eigenvalue spectrum at specified points in  the BZ, and to determine the space-group irreducible representatio
2. To plot the eigenvalue spectrum along lines within the BZ.
3. To plot eigenvalue surfaces within a BZ.

draw

esplot     A graphical program for drawing Parametric Electrostatic Potential contours using MOPAC output  of a Ford-Wang calculation

makpol

meplot     A graphical program for drawing Parametrized  Electrostatic Potential contours using MOPAC output  of an Orozco-Luque calculation.

gnuplot


PC-USER PROGRAMS

Exceed. It transforms your computer into a fully functional X Windows System workstation. It also allows you to accese UNIX-based applications from within the Windows3.1/95/98/NT/2000 enviroment.
Quick installation & configuration guide


Download Port applications to Reliant Unix
Download Portguide

SNI in Russia, Lynx Co.
Benchmarks