Software on Iridis
Software Available
The following table gives a summary of the main software packages installed on Iridis. Follow the links from each package name for more information. See the section below on Software Environment Settings for information on how to select different versions of packages
| Name | Versions | Description |
|---|---|---|
| Intel compiler suite | 11.1 | F90, F77, C, C++ compilers |
| Portland Group compilers | 9.03 | F90, F77, HPF, C, C++ compilers, debugger and profiler |
| GCC | 4.1.2, 4.3.3 | Gnu compiler collection for C, C++ & Fortran 77 |
| OpenMPI | 1.3.3 | Message Passing Interface implementation |
| Intel MPI | 3.2.1 | Message Passing Interface implementation |
| Intel MKL | 10.2.1 | Intel Maths Kernel Library |
| ddd | 3.3.9 | Graphical Debugger |
| Abaqus | 6.9.1 | Finite Element Software |
| Ansys | 12.1,12.0 | Engineering Analysis Package |
| Castep | 5.0.1 | Chemistry density functional theory code |
| CFX | 12.1,12.0 | CFD Application |
| Comsol | 3.5a, 4.0a, 4.1 | Multi-Physics simulations |
| FFTW | 3.2.2 | efficient FFT library |
| Fluent | 12.1, 12.0, 6.3.26 | CFD Application |
| Gaussian | G09 | Electronic structure analysis |
| Gnuplot | 4.0 | Graphing/Plotting tool |
| Grace | 5.1.22 | WYSIWYG 2D plotting tool |
| Grass | 6.3.0 | GIS software |
| Gromacs | 3.3.3 | Molecular Dynamics package |
| Java 2 | 1.6.0 | Java 2 Platform, Standard Edition |
| Mathematica | 7.0 | Technical Computing |
| Matlab | 2008b,2009b | Technical computing/visualisation |
| Molpro | 2010.1,2009.1 | Ab-initio molecular electronic structure calculations |
| OpenFoam | 1.6.x | Open Source CFD |
| R | 2.9.1,2.10.0 | Statistical and graphics environment |
| Stata | 9 | Statistics |
Software Environment settings
Traditionally software packages have been accessed by "wrapper scripts" in the /local/bin-64 these act effectively as commands which you can type at the command line to run the software. Eg. to run the default version of matlab you would type matlab. If you wanted to run the more recent Matlab 2007a, you would use the command matlab2007a. If you want to find out which matlab related commands exist you could use the command ls /local/bin-64/matlab*. These scripts will normally set up any environment variables needed to run the application, but some environment variables are still set at login time - eg. for the default PGI 5.2.-2 compilers.
More recently Software Environment Modules have been introduced into the existing software environment framework. Modules offer a much more powerful way of managing the software environment, particularly if multiple versions or dependencies between packages are involved. At present Modules are an optional extra which can be used to select mostly more recent versions of applications. As modules are created for some of the older software packages, and the current Iridis documentation is revised, we will move to a situation where modules are the dominant means of accessing software packages.
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