High Performance Computing Center North
Under this area you will find information about the installed software and applications on HPC2N's systems, as well as some information about accessing it.
Note that is is NOT a complete list. Login to Abisko or Kebnekaise and run the command
to get a full list.
NOTE: If you have read the official EasyBuild instructions there will have been mention of a configuration file. When installing software as a user, you do NOT need an EasyBuild configuration file, and it can even cause problems to have one.
This guide will let you install software (and create a module for easy loading) to your $HOME/Public directory, under a subdirectory called easybuild.
VASP has been built in both a normal CPU-only version and a GPU-enabled version.
Depending on which toolchain is loaded one or the other is available.
Use ml spider vasp to see which versions are available, and then look at the specific versions with ml spider VASP/<some-version>, to see which toolchains are available.
This results in a different naming of the modules themselves and also a completely different module layout, compared to how it was done with Tcl modules.
The modules are installed hierarchically in such a way that not all modules are visible initially.