Skip to content

Software on Devana

Devana provides a wide range of pre-installed scientific software, libraries, and tools to support high-performance computing (HPC) workloads. This page explains how to use the available software, manage dependencies, and request additional applications.

Software Stack Update

In order to keep the software environment up-to-date, secure, and performant, the Devana software stack was fully rebuilt in Q3 2025. This rebuild ensures compatibility with the system upgrade performed in Q2 2025 and improves runtime performance across applications.

As part of this update, several outdated compilers and libraries were removed to simplify maintenance and increase reliability.

Key Changes

  • Default modules in /storage-apps/Modules have been removed
  • Default modules in /storage-apps/intel-v.2023/oneapi/modulefiles have been removed
  • Compiler support for GCC 10.2.x and older has been dropped
  • Several deprecated or redundant modules were removed

Action required

Users are encouraged to migrate their workflows to the new software stack as soon as possible.

Accessing the Legacy Software Stack

The previous software stack is still available for compatibility purposes.

Devana provides the command-line tool ssx (Software Stack eXchange) which allows users to switch between the old and new software environments.

Example usage:

ssx

Legacy software support

If you require modules from the older stack (for example to finish calculations for an ongoing publication), please contact the HPC support team. We will assist where possible.

Using Software Modules

To manage software efficiently, Devana uses the Environment Modules system. This allows users to dynamically modify their environment by loading and unloading software modules without changing system configurations.

Basic Module Commands

To list all available modules:

module avail

To load a specific module:

module load <module_name>

To check which modules are currently loaded:

module list

To unload a module:

module unload <module_name>

To remove all currently loaded modules and reset the environment:

module purge

Tip

If you are unsure which module to load, use module spider <software_name> to search for all available versions.

For more information see the Environment Modules guide.

Available Software Categories

Devana hosts a diverse collection of software for scientific computing, including:

  • Computational chemistry and materials science
  • Bioinformatics and life sciences
  • Mathematical and statistical tools
  • Artificial intelligence and machine learning
  • General programming and development tools

Note

The full list of available software can be viewed using the module avail command. If you are searching for a specific application, use module spider <software_name>.

Requesting New Software

Before submitting a request, first check whether the software is already available:

module avail

If you need additional software installed on Devana, submit a request to the administration support team via Helpdesk.

Please include the following information:

  1. Software name (required)
  2. Website or source (required)
  3. Software type (e.g. open-source, commercial) (required)
  4. Required version (specific version or latest) (required)
  5. Dependencies required for your use case
  6. Installation guide (required)
  7. Instructions for testing the installation
  8. License server information (hostname and port), if applicable
  9. Preferred toolchain (e.g. intel/2020a)
  10. Whether the software should be restricted to a specific user group
    • No – installation can be public
    • Yes – specify the user group

Warning

Some software requires a valid license. Ensure that you have the appropriate permissions before requesting installation.

Best Practices for Software Usage

To ensure efficient use of computational resources:

  • Use modules instead of manually modifying environment paths
  • Load specific versions when necessary using module load software/version
  • Use virtual environments such as venv or conda for Python workflows
  • Use containerized environments such as Singularity for reproducible software environments

Troubleshooting and Support

If you encounter issues when using software on Devana:

  • Check module dependencies – some applications require specific modules to be loaded first
  • Read the documentation – many applications provide built-in help through --help or man <software_name>
  • Perform small test runs before launching large-scale jobs

Danger

Do not install software manually in system directories. Use virtual environments or request installation through the support team.

Created by: Andrej Sec