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The following packages or programs range from loosely organized
collections of programs to perform a wide range of day-to-day
numerical and clerical tasks to
Matlab-like
packages (at least
one of which will actually run programs written in the Matlab
programming language) to other non-Matlab matrix-based
numerical analysis systems to environments designed to help develop
portable scientific programs to full-blown signal and image
processing systems that will take up at least 60 Mb of disk
space. I'd especially recommend trying the
Scilab,
RLaB and
Octave
packages to start. Presently I mostly use Scilab, which
is Matlab-like but, in some ways, an improvement, and you
can't beat the price.
Last updated and checked on Mar. 24, 2004, only 8 short years since the
last update on July 2, 1996.
Go to a specific package or
browse the lot.
A high-level interpreted language for numerical analysis that
borrows ideas from languages like C, MATLAB and APL.
It was developed because of a perceived
need for a free, efficient, and versatile
language capable of handling large problems.
Significant/unique Algae features include:
- speed that is generally (and
often significantly) faster than MATLAB (at least until recent major
improvements in that product),
RLaB and
Octave;
- the capability of
storing arrays in sparse form wherein only the nonzero elements and
their locations are stored;
- persistent labels for each dimension
of a matrix or vector (i.e. a vector element can have a label
such as `mojo rate' to distinguish it from the other 5000 elements);
- scalars, vectors and arrays as distinct data types;
- and a statistical
profiling capability that can show, by file and line number, where
the code spends most of its time.
Algae is distributed as source code and also in binary form for
Linux ELF platforms. Other packages that aren't required but
are quite helpful and will be used by the package if available
are Gnuplot,
BLAS (although the generic
version is supplied with the package),
LAPACK (with the generic
version of this also supplied with the package), and
the GNU Readline library. Algae will also recognize the
proprietary Boeing BCSLIB package. The documentation is
supplied in both HTML and GNU Info formats.
[
http://algae.sourceforge.net/
Basis is the name of the program which results from loading the Basis System with no attached physics. It is a useful program for interactive calculations and graphics. Authors create other programs by specifying one or more packages of variables and modules to be loaded. A package is specified using a Fortran source and a variable description file in which the user specifies the common blocks to be used in the Fortran source and the functions or subroutines that are to be callable from the interactive language parser.
Basis programs are steerable applications, that is, applications whose behavior can be greatly modified by their users. Basis also contains optional facilities to help authors do their jobs more easily. A library of Basis packages is available that can be easily added to a program. The progammable nature of the application simplifies testing and debugging.
The Basis Language includes variable and function declarations, graphics, several looping and conditional control structures, array syntax, operators for matrix multiplication, dot product, transpose, array or character concatenation, and a stream I/O facility. Data types include real, double, integer, complex, logical, character, chameleon, and structure. There are more than 100 built-in functions, including all the Fortran intrinsics.
Basis' interaction with compiled routines is particularly powerful. When calling a compiled routine from the interactive language, Basis verifies the number of arguments and coerces the types of the actual arguments to match those expected by the function. A compiled function can also call a user-defined function passing arguments through common.
The Basis system includes many facilities designed to ease porting of Fortran codes among the supported platforms, including a Fortran preprocessor, MPPL, and a system for creating Makefiles for multi-platform, multi-directory development.
Basis runs on UNIX and Linux operating systems. It requires Perl 5.0 or later. Basis can be built with
NCAR graphics, PGS graphics or with no graphics.
If you build basis with PACT,
then you can use the interface to PACT's PDB portable
self-describing data files.
There's an overview article about this package by the chief author,
Paul Dubois, in Computers in Physics, Vol. 8, 1994,
pp. 70-73.
[
http://basis.llnl.gov/]
Cactus is an open source problem solving environment designed for scientists and engineers. Its modular structure easily enables parallel computation across different architectures and collaborative code development between different groups. Cactus originated in the academic research community, where it was developed and used over many years by a large international collaboration of physicists and computational scientists.
The name Cactus comes from the design of a central core (or
"flesh") which connects to application modules (or "thorns") through
an extensible interface. Thorns can implement custom developed
scientific or engineering applications, such as computational fluid
dynamics. Other thorns from a standard computational toolkit provide
a range of computational capabilities, such as parallel I/O, data
distribution, or checkpointing.
Cactus runs on many architectures. Applications, developed on
standard workstations or laptops, can be seamlessly run on clusters
or supercomputers. Cactus provides easy access to many cutting edge
software technologies being developed in the academic research
community, including the Globus Metacomputing Toolkit, HDF5 parallel
file I/O, the PETSc scientific library, adaptive mesh refinement,
web interfaces, and advanced visualization tools.
[
http://www.cactuscode.org/]
The CCSE Applications Suite consists of:
- two application codes for adaptively solving time-dependent partial differential
equations (a solver for a Hyperbolic system of Conservation Laws (HyperCLaw) and
an incompressible flow solver (IAMR)),
- C++ class libraries (BoxLib,AmrLib, and others),
- a 2- and 3-dimensional visualization system (AmrVis),
- a package for post-processing data generated by the above AMR applications (AmrDerive), and
- a single grid, i.e. non-adaptive, application code for solving incompressible flows
(VarDen in serial, pVarDen in parallel).
The most basic components for building AMR applications are contained in BoxLib and AmrLib;
the most complete applications are the two solvers. The capability to solve elliptic equations
on an adaptive hierarchy of grids with either cell-centered or node-centered data is contained
in two of the multigrid libraries (MGLib and HGProj). Because the applications depend on some
or all of the more fundamental software libraries, users must download the entire package,
AMR uses block-structured refinement, so that the solution to an AMR calculation is composed
of data in multiple non-intersecting rectangular grids at multiple levels with different
resolution. The visualization and post-processing tools are specially constructed to efficiently
handle this type of data set.
All components of the CCSE Applications Suite except VarDen are designed to execute in parallel
using MPI. However, the user has the option of building executables without MPI
to run on serial platforms.
[
http://seesar.lbl.gov/ccse/Software/index.html]
In 1987, Jack K. Cohen and Shuki Ronen of the Center for Wave Phenomena (CWP) at the Colorado School of Mines (CSM) conceived a bold plan. This plan was to create a seismic processing environment for Unix-based systems, written in the C language, that would extend the Unix operating system to seismic processing and research tasks. Furthermore, they intended that the package be freely available as full source code to anyone who would want it.
The package is not necessarily restricted to seismic processing tasks, however. A broad suite of wave-related processing can be done with SU, making it a somewhat more general package than the word ``seismic'' implies. SU is intended as an extension of the Unix operating system, and therefore shares many characteristics of the Unix, including Unix flexibility and expandibility. The fundamental Unix philosophy is that all operating system commands are programs run under that operating system. The idea is that individual tasks be identified, and that small programs be written to do those tasks, and those tasks alone.
The core of the Seismic Unix program set performs a broad collection of tasks, which may be viewed as being common to a large collection of research and processing disciplines. Many, however, are purely seismic in nature.
The task categories include:
- input/output issues;
- data format conversion;
- setting, viewing and editing trace header fields;
- viewing SU data;
- windowing, sorting and editing data;
- general operations;
- transforming and filtering operations;
- seismic operations on SU data.
[http://www.cwp.mines.edu/cwpcodes/]
A numerical math program that can handle real and complex
numbers, vectors and matrices, can produce 2D/3D graphics, and
has a built-in programming language. The features include
interactive evaluation of numerical expressions, matrix
functions, statistical functions and random numbers, online
help, and more. It's written in C for generic UNIX/X Windows
platforms and the source code is available. An
Euler tutorial is available online. It compiled
and installed easily on my Linux box.
[
http://mathsrv.ku-eichstaett.de/MGF/homes/grothmann/euler/]
A multi-purpose fitting program where columns of numbers can be
manipulated in the form of vector arithmetic. It is also an
expression language interpreter capable of understanding most of
C grammar. It is also a front end for any plotting program
supporting commands from stdin, e.g. Gnuplot. Some features include
Fourier transforms, spline interpolation, smoothing, a built-in
calculator, access to the C math library,
and a collection of fitting routines.
[http://packages.debian.org/stable/math/fudgit]
A program and language for the numerical study of deterministic
and stochastic dynamical systems, which may evolve in continuous
or discrete time. It loads the definition of a dynamical system
in an equation oriented language, translates this into C++,
compiles and links this, and solves the equations numerically
with the speed of a compiled (rather than interpreted)
program. It has a GUI that allows the program to be controlled
and the parameters changed easily. It has been ported to
Sun and SGI platforms for which binaries are available along
with the source code. I'm not sure how easy this is to port
elsewhere.
[ftp://ftp.uu.net/pub/math/gnans/]
The Gnatlab program is designed to be a tool for fast matrix manipulation and calculation using the Matrix Template Library. It is designed to be easily expandable, with a simple programming interface. It uses the Matrix Template Library to do the calculations and it interfaces with the MTL in such a way that updates and changes to the MTL can be quickly incorperated into the program. Gnatlab aims towards the full functionality of similar commercial products.
This software was last updated in 1999.
[
http://www.osl.iu.edu/research/gnatlab/]
[
http://sourceforge.net/projects/gnatlab/]
The GNU Data Language is a planned high-level language and environment
designed to allow flexible and powerful manipulation and plotting
of data. It will provide some of the capabilities of high level
languages for data analysis and plotting (e.g.
Yorick,
Matlab,
Octave, and
IDL, from which GNUDL gets it
name and which the GNUDL author considers the most powerful of such
languages). A primary goal is to eventually provide a vast
library of numerical, signal processing, imaging processing, etc.
routines that can be interactively used within the system.
The useful features of the aforementioned
languages planned for replication include
the immediate availability of graphing operations for data
viewing with well-designed and extensible defaults, the ease
and optimization of array operations, the publication quality
of output graphics, and the availability on many platforms.
General limitations of such languages that the author wants to
circumvent include the special-purpose languages developed for
each package. GNUDL will use
Guile, a
Scheme-based utility, as its
language. This will allow the use of Scheme as well as a variety
of other languages that can be run on top of Scheme to be used
for programming applications. Guile also incorporates the
Tk toolkit, allowing
GUI applications to be custom built.
It is planned to used the
TeXinfo system for documentation, which will allows several
types of documentation formats to be produced from a single
source file.
GNUDL will provide X Window and PostScript rendering of all
plots (perhaps via Ghostview)
to provide publication quality graphical output.
GNUDL is in the prototype stage (with alpha version 0.3
released in 2/96). The source code for the prototype
version is available and is known to compile on Linux,
IRIS and SunOS platforms. Installing GNUDL requires the
prior installation of the aforementioned Guile distribution.
The documentation is currently available online in hypertext
format, having been translated from a TeXinfo source file which
is presumably also available.
Binaries are available for Win NT/95 platforms.
This project was last updated in June 1996.
The author says
that the GNUDL prototype 4 was as far as he got before he switched
to starting and maintaining the
GSL (GNU Scientific Library) project.
[ftp://nis-ftp.lanl.gov/pub/users/rosalia/]
[
http://nis-www.lanl.gov/~rosalia/gnudl-doc/gnudl_toc.html]
The GNU Scientific Library (GSL) is a collection of routines for numerical computing. The routines have been written from scratch in C, and present a modern Applications Programming Interface (API) for C programmers, allowing wrappers to be written for very high level languages.
[
http://www.gnu.org/software/gsl/]
Guile-numerics provides Guile bindings for the GNU Scientific Library (GSL), libsndfile, FFTW and LAPACK. Most bindings are automatically generated from the include files of the libraries. This ensures the bindings are up-to-date.
[
http://www.nongnu.org/guile-num/]
JNumeric provides the functionality for Jython that Numerical Python does for Python (CPython). As the Numerical Python documentation states, it is "...a collection of extension modules to provide high-performance multidimensional numeric arrays to the Python programming language." JNumeric provides the same functionality as the core of Numeric module and aims to provide all of the standard extensions to Numeric module (FFT, LinearAlgebra, RandomArray).
In effect, Numerical Python is a free alternative to commercial solutions such as Matlab with the added bonus of the Python language which can be argue to be much better than what can be found in most commercial solution. You have to try Python to understand!
Why Java? Using Python inside a JVM has advantages because you can embed Python programs inside Java software or vice versa. Whereas mixing C and Python must be done with care by people wide awake, mixing Java and Jython is a no brainer. As far as performances are concerned, expect Jython to be as fast or faster than Python.
[
http://jnumerical.sourceforge.net/]
Lush is an object-oriented programming language designed for researchers, experimenters, and engineers interested in large-scale numerical and graphic applications. Lush is designed to be used in situations where one would want to combine the flexibility of a high-level, weakly-typed interpreted language, with the efficiency of a strongly-typed, natively-compiled language, and with the easy integration of code written in C, C++, or other languages.
Lush can be used advantageously for projects where one would otherwise use a combination of an interpreted language like Matlab, Python, Perl, S+, or even (gasp!) BASIC, and a compiled language like C. Lush brings the best of both worlds by wrapping three languages into one: (1) a weakly-typed, garbage-collected, dynamically scoped, interpreted language with a simple Lisp-like syntax, (2) a strongly-typed, lexically-scoped compiled language that uses the same Lisp-like syntax, and (3) the C language, which can be freely mixed with Lush code within a single program, even within a single function. It sounds complicated, but it is not. In fact, Lush is designed to be very simple to learn and easy to use.
If you do research and development in signal processing, image processing, machine learning, computer vision, bio-informatics, data mining, statistics, simulation, optimization, or artificial intelligence, and feel limited by Matlab and other existing tools, Lush is for you. If you want a simple environment to experiment with graphics, video, and sounds, Lush is for you.
The features of Lush include:
- An easy way to interface C functions and libraries, and a powerful dynamic linker/loader for object files or libraries (.o, .a and .so files) written in other compiled languages.
- The ability to freely mix Lisp and C in a single function.
- A powerful set of vector/matrix/tensor operations
- A huge library of over 10,000 numerical routines, including full interfaces to GSL, LAPACK, and BLAS
- A library of image and signal processing routines.
- An extensive set of graphic routines, including an object-oriented GUI toolkit, an interface to OpenGL/GLU/GLUT, and the OpenInventor scene rendering engine.
- An interface to the Simple Directmedia Layer (SDL) multimedia library, including a sprite class with pixel-accurate collision detection (perfect for 2D games).
- Sound and video grabbing (using ALSA and Video4Linux).
- Several libraries for machine learning, neural net, statistical estimation, Hidden Markov Models (gblearn2, Torch, HTK).
- libraries for computer vision (OpenCV, Intel's open source Vision Library), and 3D scene rendering (OpenInventor).
- bindings to the JavaVM API and to the Python C API.
[
http://lush.sourceforge.net/]
Maxima is a full symbolic computation program. It is full featured doing symbolic manipulation of polynomials, matrices, rational functions, integration, Todd-coxeter, graphing, bigfloats. It has a symbolic debugger source level debugger for maxima code. Maxima is based on the original Macsyma developed at MIT in the 1970's. It is quite reliable, and has good garbage collection, and no memory leaks. It comes with hundreds of self tests.
Maxima itself is reasonably feature complete at this stage, with abilities such as symbolic integration, 3D plotting, and an ODE solver, but there is a lot of work yet to be done in terms of bug fixing, cleanup, and documentation. This is not to say there will be no new features, but there is much work to be done before that stage will be reached, and for now new features are not likely to be our focus.
[
http://maxima.sourceforge.net/
NCL is a programming language designed specifically for the analysis and visualization of data.
NCL can be run in interactive mode, where each line is interpreted as it is entered at your workstation, or it can be run in batch mode as an interpreter of complete scripts.
It is especially powerful in the areas of file input and output, data processing and graphical display.
NCL has many features common to modern programming languages, including types, variables, operators, expressions, conditional statements, loops, and functions and procedures.
In addition to common programming features, NCL also has features that are not found in other programming languages, including features that handle the manipulation of metadata, the configuration of the output graphics, the import of data from a variety of data formats, and an algebra that supports array operations.
NCL comes with many useful built-in functions and procedures for processing and manipulating data. There are over 400 functions and procedures that include routines for:
- use specifically with climate and model data
- computing empirical orthogonal functions, Fourier coefficients, singular value decomposition, averages, standard deviations, sin, cosine, log, min, max, etc.
- retrieving and converting date information
- drawing primitives (lines, filled areas, and markers), wind barbs, weather map symbols, isosurfaces, and graphical objects
- file handling
- 1-dimensional, 2-dimensional, and 3-dimensional interpolation, approximation, and regridding
- facilitating computer analysis of scalar and vector global geophysical quantities (most are based on the package known as Spherepack)
- retrieving environment variables and executing system commands
- calling C and Fortran external routines, which makes NCL infinitely configurable
NCL incorporates the functionality of several other freely available packages including:
- HDF,
HDF-EOS and
NetCDF, libraries and formats for storing scientific data;
-
LAPACK, a library for solving linear algebra problems;
-
ngmath - a collection of routines for random data interpolation;
-
Spherepack - a library for the computer modeling of geophysical
processes on spheres;
- UDUNITS, a library
for manipulating units of physical quantities.
[
http://ngwww.ucar.edu/ncl/]
Numarray provides array manipulation and computational capabilities similar to those found in IDL, Matlab, or Octave. Using numarray, it is possible to write many efficient numerical data processing applications directly in Python without using any C, C++ or Fortran code (as well as doing such analysis interactively within Python or PyRAF). For algorithms that are not well suited for efficient computation using array facilities it is possible to write C functions (and eventually Fortran) that can read and write numarray arrays that can be called from Python.
Numarray is a re-implementation of an older Python array module called Numeric. In general its interface is very similar. It is mostly backward compatible and will be becoming more so in future releases. Numarray offers more capability than numeric though there are some aspects of numarray which are still behind Numeric, namely:
- numarray is efficient for large arrays (>20,000 elements) but is slower than Numeric for small arrays by a factor of 2 to 4.
- numarray lacks a plotting module. A scientific plotting module is under development (chaco) and a basic version should be available in a few months (as well as basic image display capability).
- numarray currently has ports of Numeric packages for linear algebra, random numbers, and fourier transforms. numarray has native packages for convolution and multi-dimensional image processing.
[
http://www.stsci.edu/resources/software_hardware/numarray
NumExp is a family of open-source applications for numeric computation. When it was created, the idea was to make a powerfull tool like Mathematica. Now, we know this is almost impossible without more open-source hackers. Meanwhile, we are trying to make, at least, an usefull tool!
It is based on a server with the NumExp core functionalities. This server comunicates with potencial clients using a simple Corba interface.
[
http://numexp.sourceforge.net/]
Octave is a high-level interactive language, primarily intended for numerical computations that is mostly compatible with MATLAB.
It can do arithmetic for real and complex scalars and matrices, solve sets of nonlinear algebraic equations, integrate functions over finite and infinite intervals, and integrate systems of ordinary differential and differential-algebraic equations.
It uses the GNU readline library to handle reading and editing input. By default, the line editing commands are similar to the cursor movement commands used by GNU Emacs, and a vi-style line editing interface is also available. At the end of each session, the command history is saved, so that commands entered during previous sessions are not lost.
Octave supports 2- and 3-D plotting.
The underlying numerical solvers are currently standard Fortran ones like Lapack, Linpack, Odepack, the Blas, etc., packaged in a library of C++ classes. If possible, the Fortran subroutines are compiled with the system's Fortran compiler, and called directly from the C++ functions. If that's not possible, you can still compile Octave if you have the free Fortran to C translator f2c.
Further Octave features include:
- support for organizing data in structures, e.g. associative
arrays with indices limited to strings;
- variable-length argument and return lists;
- built-in ODE and DAE solvers.
[
http://www.octave.org/]
Omega is a joint project with the goal of providing a variety of open-source software for statistical applications. The Omega project began in July, 1998, with discussions among designers responsible for three current statistical languages (S, R, and Lisp-Stat), with the idea of working together on new directions with special emphasis on web-based software, Java, the Java virtual machine, and distributed computing. We encourage participation by anyone wanting to extend computing capabilities in one of the existing languages, to those interested in distributed or web-based statistical software, and to those interested in the design of new statistical languages.
[
http://www.omegahat.org/]
Ox is an object-oriented matrix language with a comprehensive mathematical and statistical function library. Matrices can be used directly in expressions, for example to multiply two matrices, or to invert a matrix. Use of the object oriented features is optional, but facilitates code re-use. The syntax of Ox is similar to the C, C++ and Java languages. This similarity is most clear in syntax items such as loops, functions, arrays and classes.
The console versions of Ox may be used free of charge for educational and research purposes.
[http://www.nuff.ox.ac.uk/Users/Doornik/]
PACT (Portable Application Code Toolkit) is a comprehensive, integrated, and portable software development environment created for applications having unique requirements not met with available software. By defining a single, higher level, standard programming interface, it shields appplication developers from the plethora of different hardware architectures and operating systems and their non-standard features. PACT is a set of libraries and utilities that easily integrates into your software project.
PACT is an effort to implement a software development environment which is itself portable and promotes the design and construction of portable applications. PACT does not include such important tools as editors and compilers. Well built tools of that kind are readily available across virtually all computer platforms. The areas that PACT addresses are at a higher level involving issues such as data portability, portable inter-process communication, and graphics.
In its current conception, PACT is a set of nine tools. Eight of these are implemented as libraries, and two of them provide both libraries and executable applications. PACT is entirely coded in C but was designed with a view toward support of other languages, notably FORTRAN.
The design of PACT was and is functionally driven. The main idea is to identify generic blocks of functionality independent of considerations of language and specific applications. When that has been done, the application program interface (API) for a particular block of functionality, e.g. inter-process communication, naturally emerges. With the API specified, the implementation proceeds fairly naturally. The most important concept in making this approach work is that of abstraction barriers. The API defines an abstraction barrier between the general purpose functionality and the applications built on top of it. The underlying implementation can be changed without necessitating changes to the applications using it. This goal has not always been achieved, but the fact is that it remains as a goal and PACT is always evolving toward that goal.
PACT includes the following software libraries and applications:
- SCORE, a low-level environment balancing library;
- PML, a math library;
- PPC, a process control library;
- PDB, a portable binary database management library;
- SCHEME, an interpreter for the Scheme dialect of the LISP language;
- PGS, a graphics library;
- PANACEA, a simulation code development system;
- ULTRA, a 1-D data representation, analysis and manipulation tool; and
- SX, Scheme with extensions.
Here's some further detail on the particularly interesting/useful
components.
- PANACEA
PANACEA provides a collection of services to facilitate the production of numerical simulation codes and to increase the reusability and shareability of simulation packages. By attempting to provide services to do everything that is generic to ?all? simulation codes, PANACEA also provides some standards of data exchange, management, and visualization.
Although coded in C, PANACEA is coded in an object-oriented style. The most important ramification of this is that abstract objects (e.g., packages, variables, and mappings) have a relatively faithful concrete representation. This puts PANACEA on a sound conceptual basis and helps to delineate the generic from the specific in simulation code systems.
As an additional benefit, the modularization that follows from this style lends itself to natural coarse-grained parallelization of code systems. In practice, packages can also be organized so as to make fine grained parallelization possible because the controlling structures and the data objects of PANACEA do not really intrude into the detailed workings of the simulation algorithms. Therefore, while PANACEA helps modularize a code system so that packages or large parts of packages might be run in parallel, it does not interfere with parallelizing individual routines which permit it.
The encapsulation of abstract objects in concrete representations facilitates the process of manipulating these objects symbolically. I have used PANACEA with the PACT SCHEME interpreter to give users of one PANACEA code the ability to manipulate the code in very broad and general ways.
This technique allows the manipulation of the packages? execution sequences, the examination of the state of the running code, and the changes in the state of the code. When carried to its logical conclusion, this method will also permit the prototyping of algorithms at the LISP level before investing the effort in writing more efficient code at a lower level.
Finally, PANACEA can bind simulation packages generated by a tool, such as ALPAL, into entire code systems. PANACEA complements ALPAL very neatly by attending to large control and data flow issues, while ALPAL uses the PANACEA services rather than getting loaded down with these issues.
[
http://pact.llnl.gov/]
PDL (``Perl Data Language'') gives standard Perl the ability to compactly store and speedily manipulate the large N-dimensional data arrays which are the bread and butter of scientific computing.
PDL turns perl into a free, array-oriented, numerical language similar to such commerical packages as IDL and MatLab. One can write simple perl expressions to manipulate entire numerical arrays all at once.
The PDL distribution for Perl is free Software and provides extensive numerical and semi-numerical functionality with support for two- and three-dimensional visualisation as well as a variety of I/O formats. The goal is to allow PDL to interact with a variety of external numerical packages, graphics and visualisation systems. Easy interfacing to such systems is one of the core design features of PDL.
[
http://pdl.perl.org/]
PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific
applications modeled by partial differential equations. It employs the MPI
standard for all message-passing communication.
PETSc is intended for use in large-scale application projects, and several ongoing computational science projects are built around the PETSc libraries. With strict attention to component interoperability, PETSc facilitates the integration of independently developed application modules, which often most naturally employ different coding styles and data structures.
PETSc is easy to use for beginners. Moreover, its careful design allows advanced users to have detailed control over the solution process. PETSc includes an expanding suite of parallel linear and nonlinear equation solvers that are easily used in application codes written in C, C++, and Fortran. PETSc provides many of the mechanisms needed within parallel application codes, such as simple parallel matrix and vector assembly routines that allow the overlap of communication and computation. In addition, PETSc includes growing support for distributed arrays.
The features of PETSc include:
- Parallel vector scatters and gathers;
- Parallel matrices, including several sparse storage formats and
easy, efficient assembly;
- Scalable parallel preconditioners;
- Krylov subspace methods;
- Parallel Newton-based nonlinear solvers;
- Parallel timestepping (ODE) solvers;
- Automatic profiling of floating point and memory usage;
- Consistent interface;
- Intensive error checking;
- Over one hundred examples;
- Complete documentation;
- Portable to UNIX and Windows.
[
http://www-unix.mcs.anl.gov/petsc/petsc-2/
PsiLAB has been developed for scientific research and data analysis. It is freely distributed in source code format under Gnu Public License, version 2. PsiLAB is written mainly in the functional language O'CaML developed at INRIA research laboratories. It's mainly made of three parts:
- An interpreter, of course O'CaML itself
- Libraries written in O'CaML
- External libraries written in Fortran and C
The features of PsiLAB include:
- support for all O'CaML functions and data types;
- an extensive matrix package;
- a 2- and 3-D plot package with interactive or PostScript output;
- various generic and special mathematical functions;
- a linear algebra package;
- linear regression;
- nonlinear least squares fit routines;
- FFTs;
- image processing functions; and
- an online help system.
[
http://psilab.sourceforge.net/]
The Ptolemy project studies modeling, simulation, and design of concurrent, real-time, embedded systems. The focus is on assembly of concurrent components. The key underlying principle in the project is the use of well-defined models of computation that govern the interaction between components. A major problem area being addressed is the use of heterogeneous mixtures of models of computation.
Ptolemy II is a set of Java packages supporting heterogeneous, concurrent modeling and design. Its kernel package supports clustered hierarchical graphs, which are collections of entities and relations between those entities. Its actor package extends the kernel so that entities have functionality and can communicate via the relations. Its domains extend the actor package by imposing models of computation on the interaction between entities. Examples of models of computation include discrete-event systems, dataflow, process networks, synchronous/reactive systems, and communicating sequential processes. Ptolemy II includes a number of support packages, such as graph, providing graph-theoretic manipulations, math, providing matrix and vector math and signal processing functions, plot, providing visual display of data, data, providing a type system, data encapsulation and an expression parser, etc.
Ptolemy Classic is a heterogeneous simulation and design environment supporting multiple models of computation. It is written in C++, and has a (now rather old) graphical user interface for constructing models visually as block diagrams. It supports dataflow, discrete-event, process networks, synchronous/reactive, and finite-state machine models of computation. It can generate implementations in C and assembly code for at least two programmable DSPs from certain dataflow descriptions of systems.
[
http://ptolemy.eecs.berkeley.edu/]
Quantian is a remastering of Knoppix, the self-configuring and directly bootable cdrom that turns any pc or laptop (provided it can boot from cdrom) into a full-featured Linux workstation. The more recent versions of Quantian are based on clusterKnoppix and add support for openMosix, including remote booting of light clients in an openMosix terminal server context.
However, Quantian differs from Knoppix by adding a set of programs of interest to applied or theoretical workers in quantitative or data-driven fields. The added quantitative, numerical or scientific programs comprise:
- R, including several add-on packages (such as tseries, RODBC, coda, mcmcpack, gtkdevice, rgtk, rquantlib, qtl, dbi, rmysql), out-of-the box support for the powerful ESS modes for XEmacs as well as the Ggobi visualisation program;
- Octave, with add-on packages octave-forge, octave-sp, octave-epstk, matwrap and Inline::Octave;
- Computer-algebra systems Maxima (including the X11 front-end and emacs support), Pari/GP, GAP, GiNaC and YaCaS;
- GSL, the Gnu Scientific Library (GSL) including example binaries;
- the QuantLib quantitative finance library including its Python interface;
- the Grass geographic information system;
- the OpenDX and Mayavi data visualisation systems;
- TeXmacs for wysiwyg scientific editing as well as LyX and kile for wysiwyg (La)TeX editing;
- various Python modules including Scientific and Numeric Python;
- and various other programs such as apcalc, aplus, aribas, autoclass, euler, evolver, freefem, gambit, geg, geomview, ghemical, glpk, gnuplot, gperiodic, gri, gmt, gretl, lp-solve, mcl, mpqc, multimix, rasmol, plotutils, pgapack, pspp, pdl, rcalc, yorick, XLisp-Stat and xppaut.
[
http://dirk.eddelbuettel.com/quantian.html]
R is a language and environment for statistical computing and graphics. It is a GNU project which is similar to the S language and environment which was developed at Bell Laboratories (formerly AT&T, now Lucent Technologies) by John Chambers and colleagues. R can be considered as a different implementation of S. There are some important differences, but much code written for S runs unaltered under R.
R provides a wide variety of statistical (linear and nonlinear modelling, classical statistical tests, time-series analysis, classification, clustering, ...) and graphical techniques, and is highly extensible. The S language is often the vehicle of choice for research in statistical methodology, and R provides an Open Source route to participation in that activity.
One of R's strengths is the ease with which well-designed publication-quality plots can be produced, including mathematical symbols and formulae where needed. Great care has been taken over the defaults for the minor design choices in graphics, but the user retains full control.
R is an integrated suite of software facilities for data manipulation, calculation and graphical display. It includes:
- an effective data handling and storage facility,
- a suite of operators for calculations on arrays, in particular matrices,
- a large, coherent, integrated collection of intermediate tools for data analysis,
- graphical facilities for data analysis and display either on-screen or on hardcopy, and
- a well-developed, simple and effective programming language which includes conditionals, loops, user-defined recursive functions and input and output facilities.
R, like S, is designed around a true computer language, and it allows users to add additional functionality by defining new functions. Much of the system is itself written in the R dialect of S, which makes it easy for users to follow the algorithmic choices made. For computationally-intensive tasks, C, C++ and Fortran code can be linked and called at run time. Advanced users can write C code to manipulate R objects directly.
[
http://www.r-project.org/]
-
RPy
RPy is a very simple, yet robust, Python interface to the R Programming Language. It can manage all kinds of R objects and can execute arbitrary R functions (including the graphic functions). All errors from the R language are converted to Python exceptions. Any module installed for the R system can be used from within Python.
[
http://rpy.sourceforge.net/]
"Our"-lab is
an interactive, interpreted scientific programming
environment. This is a very high level language intended
to provide fast prototyping and program development along
with easy data visualization and processing. It is not a
Matlab (i.e. it wasn't
designed to run Matlab programs) but possesses similar operators
and concepts due to a similar purpose, i.e. creating an
experimental environment or laboratory for scientific
programming.
RLaB is called a high level language because typing and dimensioning
of variables aren't performed by the user but rather are
inferred by the program from usage context. It is also high
level due to its interactivity which allows the user to
set up, perform, and visualize experiments in real time in
the context of a single environment. The structured language
in RLaB is similar to C in that a program is sequence of
functions acting on variables, with the functions being either
built-in or user defined. It also features strongly typed
objects in classes. The classes are numeric, string, function,
and list with the numeric class encompassing scalars, vectors and
matrices. Functions are also objects and as such can call or
be called by other functions, including themselves.
The build-in functions generally are those that operate on
either scalars, vectors or matrices. Scalar functions include
trig functions, rounding, absolute values, square roots, etc.
Vector functions include sum, products, means, max/min, FFT,
sort, etc. Matrix functions include Cholesky decomposition,
eigenvalue determination, determinants, inverses, norms,
and much more. Plotting is performed using either the
PLplot library or
Gnuplot. This allows
the creation, viewing and printing of the usual range of
2- and 3-D and histogram plots.
The source code for RLaB
is available as well as binaries for Linux, DOS, OS/2,
Mac and Acorn platforms. Installation from source
requires other packages such as
BLAS,
LAPACK,
FFTPACK,
RANLIB, and
either PLplot or Gnuplot as mentioned above.
The documentation includes a tutorial and
a manual for the built-in functions in both HTML and
PostScript format.
The June 1996 issue
of the Linux Journal
has an article about RLaB written by its creator, Ian
Searle.
[
http://rlab.sourceforge.net/]
The ROOT system provides a set of OO frameworks with all the functionality needed to handle and analyse large amounts of data in a very efficient way. Having the data defined as a set of objects, specialised storage methods are used to get direct access to the separate attributes of the selected objects, without having to touch the bulk of the data. Included are histograming methods in 1, 2 and 3 dimensions, curve fitting, function evaluation, minimisation, graphics and visualization classes to allow the easy setup of an analysis system that can query and process the data interactively or in batch mode.
Thanks to the builtin CINT C++ interpreter the command language, the scripting, or macro, language and the programming language are all C++. The interpreter allows for fast prototyping of the macros since it removes the time consuming compile/link cycle. It also provides a good environment to learn C++. If more performance is needed the interactively developed macros can be compiled using a C++ compiler.
The system has been designed in such a way that it can query its databases in parallel on MPP machines or on clusters of workstations or high-end PC's. ROOT is an open system that can be dynamically extended by linking external libraries. This makes ROOT a premier platform on which to build data acquisition, simulation and data analysis systems.
The backbone of the ROOT architecture is a layered class hierarchy with, currently, around 310 classes grouped in about 24 frameworks divided in 14 categories. This hierarchy is organized in a mostly single-rooted class library, that is, most of the classes inherit from a common base class.
The class categories include:
- the basic ROOT classes containing the low-level building blocks;
- container classes for general purpose data structures;
- physics classes;
- matrix and vector classes;
- histogram and minimization classes;
- tree and ntuple classes containing the tree system;
- 2-D graphics classes;
- 3-D graphics classes;
- image processing classes;
- detector geometry classes;
- graphical user interface (GUI) classes;
- interactive interface classes with a C++ interpreter;
- operating system interface classes;
- networking classes;
- interface to MySQL classes; and
- documentation classes.
[
http://root.cern.ch/]
SciCraft is a data analysis software which allows the user to access advanced methods in statistics, chemometrics and artificial intelligence through an easy-to-use graphical user interface (GUI).
Many scientific fields experience an enormous increase in produced data and thus need the availability of effective data analysis software.
Commercial data analysis software packages exist that can be used, however they are often expensive, have a limited number of methods available and are very restrictive with their licenses. Combining the methods with external software usually requires time-consuming data format and interface handling that hinders the investigator.
SciCraft is an open source data analysis software which solves these problems through an intuitive and user friendly framework where existing methods written in any programming language can easily be combined. It provides integration of a large number of methods from multiple sources such that the user does not need to be concered with problems related to data imports/exports, file formats and automation. The user can concentrate on the scientific aspects of data analysis without technical distractions.
Even though SciCraft can communicate in principle with any type of computer language, we have found it useful to concentrate on high level languages that are suited for rapid development of data analysis algorithms. Examples of such languages are Octave, SciLab (Matlab clones) and R (S-PLUS clone). Currently, SciCraft supports Octave, R and Python.
[
http://www.scicraft.org/]
Scilab is a scientific software package for numerical computations providing a powerful open computing environment for engineering and scientific applications. Developed since 1990 by researchers from INRIA and ENPC, it is now maintained and developed by Scilab Consortium since its creation in May 2003.
Distributed freely and open source (see the license) via the Internet since 1994, Scilab is currently being used in educational and industrial environments around the world.
Scilab includes hundreds of mathematical functions with the possibility to add interactively programs from various languages (C, Fortran...). It has sophisticated data structures (including lists, polynomials, rational functions, linear systems...), an interpreter and a high level programming language.
Scilab has been designed to be an open system where the user can define new data types and operations on these data types by using overloading.
The toolboxes available with Scilab include:
- 2-D and 3-D graphics, animation
- Linear algebra, sparse matrices
- Polynomials and rational functions
- Simulation: ODE solver and DAE solver
- Scicos: a hybrid dynamic systems modeler and simulator
- Classic and robust control, LMI optimization
- Differentiable and non-differentiable optimization
- Signal processing
- Metanet: graphs and networks
- Parallel Scilab using PVM
- Statistics
- Interface with Computer Algebra (Maple, MuPAD)
- Interface with Tcl/Tk
[
http://scilabsoft.inria.fr/]
a
SCIRun is a problem solving environment (PSE) that allows
the interactive construction, debugging, and steering of
large-scale scientific computations.
The mission of the project is to release state-of-the-art
software, data sets, and documentation for researchers
investigating bioelectric field problems.
SCIrun provides a component model, based on generalized
dataflow programming, that allows different computational
components and visualization components to be connected
together in a tightly integrated fashion.
SCIrun facilitates the interactive construction, debugging
and steering of large-scale, typically parallel, scientific
computations. It can be envisioned as a computational
workbench, in which a scientist can design and modify simulations
interactively via a component-based visual programming
model. It allows scientists to modify geometric models and
interactively change numerical parameters and boundary
conditions, as well as to modify the level of mesh adaptation
needed for an accurate numerical solution.
[
http://software.sci.utah.edu/scirun.html]
A library of general purpose mathematical and statistical
routines written in Fortran 77. The latest version (4.1) was
released in 1993 and contains 902 routines. SLATEC is the result
of a project to develop portable, non-proprietary mathematical
software for several government research sites. The library
is described in greater detail in the
SLATEC Guide and the contents can be perused in the
SLATEC Table of Contents. The entire library can be snagged
in one large compressed file or individual routines can be
accessed in a subdirectory at the Web site.
[http://www.netlib.org/slatec/]
The TEnsor LAnguage is a scientific
computing language and environment mainly targeted for prototyping
and performing pre- and post-processing tasks for large-scale
numerical simulations. As such its features are biased towards
those needed to solve partial differential equations. This is
indeed a prototyping package so even though modest-sized 2-D
simulations can be done in a reasonable amount of time it
probably wouldn't be a good idea to attempt large 2-D or
3-D simulations.
The features of Tela include a copmlete Fortran 90 style array
language, fast execution in interpreted mode (with a translator
to C++ in the works), a full suite of linear algebra tools,
a full set of fast Fourier transform routines, the capability of
running UNIX system commands from within Tela, the capability
of working with files in HDF, netCDF, ASCII, MATLAB, and PBM formats,
and several built-in numerical analysis routines, e.g. linear
interpolation, integration, root finding, nonlinear fitting, etc.
The graphics capabilities, accomplished via a linkage with a
separate program
PlotMTV,
included 2-D and 3-D line and curve, contour, density, vector field,
and surface plots as well as bar charts and histograms.
Plots and be overlaid and stacked and saved in PostScript or
GIF format.
Tela is written in C++ and has been compiled on SGI, Linux,
Sun, Cray, IBM, HP, Sun and DEC platforms. The available
source code can be compiled usingGCC/G++ and also with some
native C++ compilers. Binaries are available for Cray, HP,
IBM, Linux, SGI and Sun machines. Documentation includes
a user's guide in PostScript format as well as
online help files, man pages and
some selected PlotMTV documentation.
[http://sumppu.fmi.fi/prog/tela.html]
VisAD is a Java component library for interactive and collaborative visualization and analysis of numerical data. The name VisAD is an acronym for "Visualization for Algorithm Development". The system combines:
- The use of pure Java for platform independence and to support data sharing and real-time collaboration among geographically distributed users. Support for distributed computing is integrated at the lowest levels of the system using Java RMI distributed objects.
- A general mathematical data model that can be adapted to virtually any numerical data, that supports data sharing among different users, different data sources and different scientific disciplines, and that provides transparent access to data independent of storage format and location (i.e., memory, disk or remote). The data model has been adapted to netCDF, HDF-5, FITS, HDF-EOS, McIDAS, Vis5D, GIF, JPEG, TIFF, QuickTime, ASCII and many other file formats.
- A general display model that supports interactive 3-D, data fusion, multiple data views, direct manipulation, collaboration, and virtual reality. The display model has been adapted to Java3D and Java2D and used in an ImmersaDesk virtual reality display.
- Data analysis and computation integrated with visualization to support computational steering and other complex interaction modes.
- Support for two distinct communities: developers who create domain- specific systems based on VisAD, and users of those domain-specific systems. VisAD is designed to support a wide variety of user interfaces, ranging from simple data browser applets to complex applications that allow groups of scientists to collaboratively develop data analysis algorithms.
- Developer extensibility in as many ways as possible.
[
http://www.ssec.wisc.edu/~billh/visad.html]
An extensible statistical computing environment for
data analysis, statistical instruction and research with
an emphasis on providing a framework for exploring the
use of dynamic graphical methods.
Extensibility was achieved by building it on top of
the XLisp language, a Lisp dialect that is most closely
related to Common Lisp although it also contains some
extensions to support object oriented programming.
The window system interface was designed to work identically
in different GUI environments (e.g. Mac OS, X Windows and
MS Windows)
The prototype object-oriented programming system is
used to implement the graphics system as well as to
implement statistical model representations such as
linear and nonlinear regression and generalized linear
models. The statistical modeling features were
enhanced by adding extensions to standard Lisp arithmetic
operations to perform element-wise operations on lists
and vectors and also by adding a variety of basic statistical
and linear algebra functions. The statistical functions include
functions to return the density and quantiles for a number of
types of distributions, to compute means and medians, to
perform max/min tasks, to compute lists of random numbers, and
many more. Plotting functions include those to create boxplots,
histograms, x-y plots, scatter plots, probability and contour
plots, and to rotate plots in 3-D space.
Implementations of XLispStat are available for Macintosh,
Ms Windows and UNIX/X11 systems, with the first two available
in binary and the latter in source form. I had no problems
compiling and installing it on my Linux platform.
The available
documentation includes a somewhat dated book, a more up-to-date
tutorial introduction and several technical reports. All but
the book are available in both HTML and PostScript format.
The XLisp language implementation is included in the
XLispStat package but is also available separately.
[
http://www.stat.uiowa.edu/~luke/xls/xlsinfo/xlsinfo.html]
An interpreted language for scientific computation.
It includes scientific visualization functions, text and
binary input/output functions for reading and writing huge
amounts of numbers, and basic linear algebra functions adapted
from the
LAPACK library.
Interpreted programs can run at speeds up to 20% of optimized
compiled speed, which makes it fast enough to do reasonably
large calculations by itself or to be used as a pre- and
post-processor for large, complicated physics simulation
codes, e.g. it can be used to create complicated input files
for a simulation or to compare the results of several
simulations.
The features of Yorick include C-like syntax for the interpreted
language with declarative statements, explicit array
operations that don't require creating explicit loops,
an X Window system interactive graphics package that
concentrates on x-y plots and filling and contouring
quadrilateral meshes, hardcopy output to binary CGM or
PostScript files (with a separate CGM browser), a binary
file package that can read or write floating point formats
foreign to the machine on which it is running, a growing
library of functions written in the native language (e.g.
Bessel and gamma functions; fitting by least squares, spline
or rational functions; reading and writing
NetCDF files, etc.),
and provisions for embedding compiled subroutines and functions
within the Yorick interpeter (for which an example package
is provided).
The source code (written in ANSI C)
is available with a configure script that
recognizes Sun, HP, SGI, Cray, IBM, DEC Alpha and Linux
platforms, and a Mac port is available in binary form.
The documentation available includes PostScript and
HTML versions of a user's manual as well as some flat
ASCII files containing descriptions of the available
functions and the graphics package.
[
http://wuarchive.wustl.edu/languages/yorick/doc/]
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