Available Versions of libxc
Version | Module | Available on |
|---|---|---|
5.1.6-GCC-11.2.0 | chem/libxc/5.1.6-GCC-11.2.0 | Noctua 2 |
5.1.5-intel-compilers-2021.2.0 | chem/libxc/5.1.5-intel-compilers-2021.2.0 | Noctua 1, Noctua 2 |
5.1.5-GCC-10.3.0 | chem/libxc/5.1.5-GCC-10.3.0 | Noctua 1, Noctua 2 |
4.3.4-iccifort-2020.4.304 | chem/libxc/4.3.4-iccifort-2020.4.304 | Noctua 1 |
4.3.4-GCC-9.3.0 | chem/libxc/4.3.4-GCC-9.3.0 | Noctua 1 |
4.3.4-GCC-8.3.0 | chem/libxc/4.3.4-GCC-8.3.0 | Noctua 1 |
4.3.4-GCC-10.2.0 | chem/libxc/4.3.4-GCC-10.2.0 | Noctua 1 |
3.0.1-foss-2018b | chem/libxc/3.0.1-foss-2018b | Noctua 1 |
3.0.1-foss-2018a | chem/libxc/3.0.1-foss-2018a | Noctua 1 |
This table is generated automatically. If you need other versions please contact pc2-support@uni-paderborn.de.
Usage Hints for libxc
If you need support in using this software or example job scipts please contact pc2-support@uni-paderborn.de.
Noctua 2
An example C code using Libxc is available in the LIBXC Documentation. You can use the following commands to load the Libxc module and then compile the example code.
# load the Libxc module
module load chem/libxc/5.1.6-GCC-11.2.0
# compile the Libxc example C code
gcc <Libxc example C code> -lxc -lm