Repositories of Software
The last four decades have been ones of great success in terms of the development of reliable algorithms for solving the most common computational problems. In the fields of numerical linear algebra – linear equations, linear least squares, eigenvalues, matrix factorisations — and optimisation — nonlinear equations, nonlinear least squares, minimisation subject to constraints, linear programming, nonlinear programming — there is now a substantial core of software modules which the metrologist can exploit.
The scientist has a range of sources for software:
- specialist software developers/collectors such as the NAG library in the UK and IMSL in the US,
- National laboratories, for example NPL, Harwell, Argonne, Oakridge,
- universities,
- industrial laboratories,
- software houses, and
- instrument manufacturers.
Library software, used by many scientists and continually maintained, provides perhaps the best guarantee of reliability.
Library software
Libraries which have routines relevant to the metrologist:
- NAG: A large Fortran Library1 covering most of the computational disciplines including quadrature, ordinary differential equations, partial differential equations, integral equations, interpolation, curve and surface fitting, optimisation, linear algebra (simultaneous linear equations, matrix factorisations, eigenvalues), correlation and regression analysis, analysis of variance and non-parametric statistics.
- IMSL: International Mathematical and Statistical Libraries, Inc. Similar to NAG but based in the US.
- LINPACK: A Fortran library for solving systems of linear equations, including least-squares systems, developed at Argonne National Laboratory (ANL), USA.
- EISPACK: A companion library to LINPACK for solving eigenvalue problems also developed at ANL.
- LAPACK: A replacement for, and further development of, LINPACK and EISPACK. LAPACK also appears as a sub-chapter of the NAG library.
- Harwell: Optimisation routines including those for large and/or sparse problems.
- DASL: Data Approximation Subroutine Library, developed at NPL, for data interpolation and approximation with polynomial and spline curves and surfaces.
- MINPACK: Another Fortran Library developed at ANL for function minimisation. MINPACK contains software for solving nonlinear least-squares problems.
A number of journals also publish the source codes for software. In particular the ACM Transactions on Mathematical Software has published over 700 algorithms for various types of computation. Applied Statistics publishes software for statistical computations.
Most library software has been written in Fortran 77, a language well suited to numerical computation but in other ways limited in comparison with more modern languages. The situation has changed radically with the advent of new versions of the language – Fortran 90/95 – which have all the features that Fortran 77 was perceived as lacking while maintaining full backwards compatibility. Using Fortran 90/95 to create dynamically linked libraries (DLLs), it is relatively straightforward to interface the numerical library software with spreadsheet packages on a PC, for example, or to software written in other languages. Many library subroutines now also appear in Fortran 90/95 implementations.
Scientific software packages
There are a number of scientific software packages, including Matlab, Mathematica, MathCad and S-Plus that are widely used by numerical mathematicians, scientists and engineer.
- Netlib is a comprehensive range of mathematical software can be obtained over the Internet through Netlib. For example, the LINPACK, EISPACK, LAPACK and MINPACK libraries are available through Netlib along with the later algorithms published in ACM Transactions on Mathematical Software. The system is very easy to use and there are also browsing, news and literature search facilities.
- Statlib is similar to Netlib but covers algorithms and software for statistical calculations.
- Guide to Available Mathematical Software (GAMS) developed and maintained by the National Institute of Standards and Technology (NIST), Gaithersburg, MD, provides a comprehensive listing of mathematical software classified into subject areas such as linear algebra, optimisation, etc. It includes the software in Netlib and the NAG and IMSL libraries. Using the search facilities the user can quickly identify modules in the public domain or in commercial libraries.
- e-Handbook of Statistical Methods published online by NIST/SEMATECH.
EUROMETROS
The resources we have listed so far relate to science in general rather than metrology in particular. Certainly, many of the problems in metrology are generic and it is sensible to apply general solutions where they are appropriate. The SSfM programme as a whole aims to bridge the gap between the best computational techniques and the needs of metrology with the main focus of bringing appropriate technology to the metrologist in a usable form.
The EUROMETROS metrology software repository (formerly MetroS) provides the metrologist easy access to modules performing the key functions for metrology. MetroS was developed as part of the Software re-use project of the first SSfM programme; in the second SSfM programme, it was renamed as EUROMETROS to reflect its relationship with the EUROMET organisation and AMCTM European thematic network.
The current content of EUROMETROS is predominantly routines for fitting empirical and geometric models to data, and routines associated with those models or with the fitting problems. These are mainly implementations developed by NPL in SSfM and previous programmes. EUROMETROS also describes functions and algorithms for metrology problems, test data sets for testing solutions to those problems, and reference material (best/good practice guides, papers, case study reports, etc.) related to software for metrology.
Links
- AMCTM, Advanced Mathematical and Computation Tools in Metrology.
- Netlib
- National Instruments, Corp., Austin, TX. LabVIEW.
- NIST, GAMS: guide to available mathematical software.
- NIST/SEMATECH, e-Handbook of Statistical Methods.
- The NAG Fortran Library
- StatLib, Statistics Department, Carnegie-Mellon University - Data, Software and News from the Statistics Community.
- Mathematica - the way the world calculates.
- EUROMETROS
- SSfM





