High Performance Computing Center North
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.
We have two types of GPU cards available on Kebnekaise, NVIDIA Tesla K80 (Kepler) and NVIDIA Tesla V100 (Volta).
To request GPU resources one has to include a GRES in the submit file. The general format is:
where <type-of-card> is either k80 or v100 and x = 1, 2, or 4 (4 only for the K80 type).
The K80 enabled nodes contain either two or four K80 cards, each K80 card contains two gpu engines.
Kebnekaise is the latest supercomputer at HPC2N. It is named after the massif of the same name, which has some of Sweden's highest mountain peaks (Sydtoppen and Nordtoppen). Just as the massif, the supercomputer Kebnekaise is a system with many faces.