MareNostrum 5

Easybuild

EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way. With easybuild we can install a software through recipies which creates a module and also installs all the depending modules(through their own EasyBuild recipes) accordingly. For using all the softwares that have been installed in the system through easybuild, the below mentioned procedure must be followed.

Modules usage

To use software installed via EasyBuild on MareNostrum 5 (MN5), follow these steps:

Step 1: Load EasyBuild Apps

Before accessing any software installed via EasyBuild, load the EasyBuild apps module by running the following command:

module load EB/apps

Step 2: Partition-Based Modules

Depending on the partition you are on, the system will load the appropriate modules:

• GPP partition (glogin nodes 1-4): Apps installed in /apps/GPP/EASYBUILD/modules/all will be available.
• ACC partition (alogin nodes 1-4): Apps installed in /apps/ACC/EASYBUILD/modules/all will be available.

Step 3: Loading Specific Modules

Always specify both the name and version of the software you want to use to ensure you load the correct module.

The best way to invoke a specific module of Easybuild is:

• By name/version

When invoked by name alone, the default module version is loaded, typically the most recent stable and recommended version or the only version available in the system. So we recommend to invoke module providing the (name/version) to assure the module installed via Easybuild is invoked, as the modules of the system are set as default and will be the ones which will be loaded if you try to invoke using only name.

So, invoking by name/version loads the specified version of the application. An example is shown below:

module load GROMACS/2024.1-foss-2023b

• If you use the softwares name only like (module load GROMACS), the default version will be loaded which is normally the default module installed in the system, which may not be the one you intend to use.

The commonly used commands for modules include the following:

• List all available modules:

  module avail / module av
• Load one or more modules:

  module load {module1-name/version} {module2-name/version}
  REMARK

  • It will set the necessary environment variables for the selected modules.
• Unload one or more modules:

  module unload {module1-name/version} {module2-name/version}
  REMARK

  • It will undo any environment modifications applied during the loading of the chosen modules.
• Display all loaded modules:

  module list
• Remove/unload all loaded modules:

  module purge
• Swap out a currently loaded module (module1) with another one (module2):

  module switch {module1} {module2}
  note

  • This can be handy, for instance, when testing multiple versions of the same software.

For more detailed instructions on using modules , you can refer to the module(1) manpage for more detailed information or use the command:

module help

Don't hesitate to contact us for additional software information; we will gladly assist you with the installation process.