Update Kokkos build documentation to include hipFFT options.
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@ -641,6 +641,20 @@ This list was last updated for version 3.5.0 of the Kokkos library.
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-D CMAKE_CXX_COMPILER=${HOME}/lammps/lib/kokkos/bin/nvcc_wrapper
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For AMD or NVIDIA GPUs using HIP, set these variables:
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.. code-block:: bash
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-D Kokkos_ARCH_HOSTARCH=yes # HOSTARCH = HOST from list above
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-D Kokkos_ARCH_GPUARCH=yes # GPUARCH = GPU from list above
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-D Kokkos_ENABLE_HIP=yes
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-D Kokkos_ENABLE_OPENMP=yes
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This will enable FFTs on the GPU, either by the internal KISSFFT library
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or with the hipFFT wrapper library, which will call out to the
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platform-appropriate vendor library: rocFFT on AMD GPUs or cuFFT on
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NVIDIA GPUs.
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To simplify compilation, four preset files are included in the
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``cmake/presets`` folder, ``kokkos-serial.cmake``,
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``kokkos-openmp.cmake``, ``kokkos-cuda.cmake``, and
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@ -707,6 +721,15 @@ This list was last updated for version 3.5.0 of the Kokkos library.
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KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
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CC = mpicxx -cxx=$(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
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For AMD or NVIDIA GPUs using HIP:
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.. code-block:: make
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KOKKOS_DEVICES = HIP
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KOKKOS_ARCH = HOSTARCH,GPUARCH # HOSTARCH = HOST from list above that is hosting the GPU
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# GPUARCH = GPU from list above
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FFT_INC = -DFFT_HIPFFT # enable use of hipFFT (optional)
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FFT_LIB = -lhipfft # link to hipFFT library
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Advanced KOKKOS compilation settings
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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