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CMake: Add support for cuSOLVERMp

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Johann Potot. 2024-11-19 12:04:50 +01:00 • committed by GitHub
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docs/getting-started/CMake.md
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@ -109,6 +109,16 @@ CP2K is GPU-accelerated. In order to enable GPU acceleration with \[CUDA\] or \[
The target architecture can be selected with `-DCP2K_WITH_GPU`.
CUDA can either be build using the NVIDIA HPC package (`-DCP2K_USE_NVHPC=ON`) or the CUDA toolkit
package(`-DCP2K_USE_NVHPC=OFF`).
### cuSOLVERMp
cuSOLVERMp is activated with `-DCP2K_USE_CUSOLVER_MP=ON` has two dependicies:
- `CAL`: requires libcal.\* in the Path
- `UCC`: requires libucc.\* libucs.\* in the Path
## Example
Build CP2K with CUDA acceleration for Nvidia A100 GPUs, with multiple optional dependencies: