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14 lines
818 B
Markdown
14 lines
818 B
Markdown
# CUDA
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- Use `-DCP2K_USE_ACCEL=CUDA` to generally enable support for NVIDIA GPUs
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- Specify the GPU type (e.g., `-DCP2K_WITH_GPU=P100`), possible values are K20X, K40, K80, P100,
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V100, A100, H100, A40.
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- Use `-DCP2K_USE_NVHPC=ON` when building with the NVHPC kit.
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- Use `-DCP2K_WITH_GPU_PROFILING` to turn on NVIDIA Tools Extensions. It requires to link
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`-lnvToolsExt`.
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- Link to a BLAS/ScaLAPACK library that accelerates large DGEMMs (e.g., libsci_acc)
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- Use `-DCP2K_ENABLE_GRID_GPU=OFF` to disable the GPU backend of the grid library.
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- Use `-DCP2K_ENABLE_DBM_GPU=OFF` to disable the GPU backend of the sparse tensor library.
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- Use `-DCP2K_ENABLE_PW_GPU=OFF` to disable the GPU backend of FFTs and associated gather/scatter
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operations.
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- Use `-DCP2K_DBCSR_USE_CPU_ONLY=ON` to disable the GPU backend of DBCSR.
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