...
Version | Module | Available on |
|---|---|---|
6.4.23-builder-for-intelfoss-2022a2023b | chem/VASP/6.4.23-builder-for-intelfoss-2022a2023b | Noctua 12 |
6.4.2-builder-for-fossintel-2023b2023a | chem/VASP/6.4.2-builder-for-fossintel-2023b2023a | Noctua 12 |
6.4.2-builder-for-fossintel-2022a | chem/VASP/6.4.2-builder-for-fossintel-2022a | Noctua 1 |
6.34.2-builder-for-intelfoss-2022a2023b | chem/VASP/6.34.2-builder-for-intelfoss-2022a2023b | Noctua 1, Noctua 2 |
6.34.2-builder-for-foss-2022a_mkl | chem/VASP/6.34.2-builder-for-foss-2022a_mkl | Noctua 1 |
6.3.2-builder-for-fossintel-2022a2022.00 | chem/VASP/6.3.22-builder-for-intel-2022.00 | Noctua 2 |
6.3.2-builder-for-intel-2022a | chem/VASP/6.3.2-builder-for-intel-2022a | Noctua 1 |
6.3.2-builder-for-foss-2022a_mkl | chem/VASP/6.3.2-builder-for-foss-2022a_mkl | Noctua 1, Noctua 2 |
6.3.2-builder-for-foss-2022a_aocl | chem/VASP/6.3.2-builder-for-foss-2022a_aocl | Noctua 2 |
6.3.2-builder-for-foss-2022a | chem/VASP/6.3.2-builder-for-foss-2022a | Noctua 1, Noctua 2 |
6.3.2-builder-for-NVHPC-22.11_mkl | chem/VASP/6.3.2-builder-for-NVHPC-22.11_mkl | Noctua 2 |
6.3.2-builder-for-NVHPC-22.11 | chem/VASP/6.3.2-builder-for-NVHPC-22.11 | Noctua 2 |
5.4.4_wannier90-builder-for-intel-2022.00 | chem/VASP/5.4.4_wannier90-builder-for-intel-2022.00 | Noctua 2 |
5.4.4_wannier90-builder-for-intel-2021b | chem/VASP/5.4.4_wannier90-builder-for-intel-2021b | Noctua 1, Noctua 2 |
5.4.4_wannier90-builder-for-foss-2022a_mkl | chem/VASP/5.4.4_wannier90-builder-for-foss-2022a_mkl | Noctua 2 |
5.4.4_wannier90-builder-for-foss-2022a_aocl | chem/VASP/5.4.4_wannier90-builder-for-foss-2022a_aocl | Noctua 12 |
5.4.4_wannier90-builder-for-intelfoss-2021b2022a | chem/VASP/5.4.4_wannier90-builder-for-intelfoss-2021b2022a | Noctua 12 |
5.4.4-builder-for-intel-2021b | chem/VASP/5.4.4-builder-for-intel-2021b | Noctua 1, Noctua 2 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
...
Builder | Compiler | BLAS | MPI | Threading (OMP) | GPU support |
|---|---|---|---|---|---|
6.3.2-builder-for-foss-2022a | gcc-11.3.0 | OpenBLAS-0.3.20 | OpenMPI 4.1.4 | yes | no |
6.3.2-builder-for-foss-2022a_mkl | gcc-11.3.0 | MKL-2022.2.1 | OpenMPI 4.1.4 | yes | no |
6.3.2-builder-for-foss-2022a_aocl | gcc-11.3.0 | AOCL-4.0.0 | OpenMPI 4.1.4 | yes | no |
6.3.2-builder-for-intel-2022.00 | intel-2022.1.0 | MKL-2022.1.0 | IntelMPI 2021.6 | yes | no |
6.3.2-builder-for-NVHPC-22.11 | NVHPC-22.11 | NVHPC-22.11 | OpenMPI 3.1.5 (CUDA aware) | yes | yes |
6.3.2-builder-for-NVHPC-22.11_mkl | NVHPC-22.11 | MKL-2022.1.0 | OpenMPI 3.1.5 (CUDA aware) | yes | yes |
6.4.2-builder-for-intel-2023a | intel-2023.1.0 | MKL-2023.1.0 | IntelMPI 2021.9.1 | yes | no |
6.4.3-builder-for-foss-2023b | gcc-13.2.0 | OpenBLAS-0.3.24 | OpenMPI 4.1.6 | yes | no |
Follow the steps to build VASP:
...