Description
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.
More information
- Homepage: https://www.cp2k.org/
Available Versions of CP2K
Version | Module | Available on |
|---|---|---|
c415b5d-foss-2023b-gcc-openmpi-openblas | chem/CP2K/c415b5d-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
c0268df-foss-2023b-gcc-openmpi-openblas | chem/CP2K/c0268df-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
bbd302a-foss-2023b-gcc-openmpi-openblas | chem/CP2K/bbd302a-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
2024.3-foss-2023b-gcc-openmpi-openblas | chem/CP2K/2024.3-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
2024.2-foss-2023b-gcc-openmpi-openblas | chem/CP2K/2024.2-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
2024.1-foss-2023b-gcc-openmpi-openblas-libgrpp | chem/CP2K/2024.1-foss-2023b-gcc-openmpi-openblas-libgrpp | Noctua 2 |
2024.1-foss-2023b-gcc-openmpi-openblas-cuda2 | chem/CP2K/2024.1-foss-2023b-gcc-openmpi-openblas-cuda2 | Noctua 2 |
2024.1-foss-2023b-gcc-openmpi-openblas-cuda | chem/CP2K/2024.1-foss-2023b-gcc-openmpi-openblas-cuda | Noctua 2 |
2023.1-foss-2022b-gcc-openmpi-openblas-cuda | chem/CP2K/2023.1-foss-2022b-gcc-openmpi-openblas-cuda | Noctua 1, Noctua 2 |
2023.1-foss-2022b-gcc-openmpi-openblas | chem/CP2K/2023.1-foss-2022b-gcc-openmpi-openblas | Noctua 2 |
47e307d-foss-2023b-gcc-openmpi-openblas | chem/CP2K/47e307d-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
26e5994-foss-2023b-gcc-openmpi-openblas | chem/CP2K/26e5994-foss-2023b-gcc-openmpi-openblas | Noctua 2 |
9.1-foss-2021b | chem/CP2K/9.1-foss-2021b | Noctua 1, Noctua 2 |
8.2-foss-2021a | chem/CP2K/8.2-foss-2021a | Noctua 1, Noctua 2 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
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