software

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Software

On the mogon clusters we install a broad variety of software (libraries and applications) for our users. We seek to install all software in optimized form - as far as possible.

Many users feel tempted to install software themselves. This is perfectly fine, yet support for self-installed software cannot be granted.

Particularly, we strongly discourage using any *conda or brew setup on one of our clusters: It has often been a source of messing up an existing environment only to be discovered at a source of interference when switching back our modules.

If some application or library or a flavor of it is missing you can ask us with this little form to install it. We apologize, but at some point the need arose to be a somewhat formal. We use EasyBuild as a framework to install software and control the module building process. In our form we ask to indicate an EasyBuild configuration file, if applicable.

You may install software independently, yet in this case our support has to be limited.

If an EasyBuild configuration is missing, but the desired software is of interest to a handful of people, we might write the missing EasyBuild together. Please approach us in this case.

When looking in the list of installed modules you see abbreviations as foss, gompi or similar. These are the EasyBuid Toolchains, matches of specific compilers and basic library versions bundled together.

When compiling or using software, please ensure that matching compilers and libraries have been used or loaded. Otherwise software might just crash for a variety of reasons. Please report, if a desired library is missing for a given toolchain.

All software installed by the HPC team for users is available within so-called Environment Modules: Little scripts, which set the matching environment variables for the desired application or library. More on Modulefiles can be found on our wiki page covering Modules. This page covers looking for area specific tools, too.

Compilers are available when loading a module file associated with a toolchain. To obtain only a compiler, you can load any module in the compiler trunk of our modulefiles:

\$ module load compiler/[TAB]

Using MPI-Modules can be special. Please refer to our MPI wiki page.

For software which is associated with a restricted software, we have a number of options:

1. if the software anticipates a license server, we can setup the software (install + connect to the license server) for or with you.
2. if the software may be run by anyone who has signed a license, we can install the software (an example would be VMD + NAMD) and make it accessible to a particular user or group.
3. If your case is special and not yet listed, get in touch with us.

In the 2nd case (a software which comes with a license, which prohibits us to “just install and everyone can use it”) we require you (individual users of a group, possible several signs on one form) to print and sign printed licenses. Subsequently, send it via internal mail (“Hauspost”) to “ZDV HPC group”. We will then set the permissions accordingly.