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GPU_ARCH settings for different GPU hardware is as follows:

D USE_STATIC_OPENCL_LOADER =value # downloads/includes OpenCL ICD loader library, no local OpenCL headers/libs needed # value = yes (default) or no D CUDA_BUILD_MULTIARCH =value # enables building CUDA kernels for all supported GPU architectures # value = yes (default) or no D CUDA_MPS_SUPPORT =value # enables some tweaks required to run with active nvidia-cuda-mps daemon # value = yes or no (default) D CUDPP_OPT =value # use GPU binning on with CUDA (should be off for modern GPUs) # enables CUDA Performance Primitives, must be 'no' for CUDA_MPS_SUPPORT=yes # value = yes or no (default) D HIP_USE_DEVICE_SORT =value # enables GPU sorting # value = yes (default) or no D HIP_ARCH =value # primary GPU hardware choice for GPU_API=hip # value depends on selected HIP_PLATFORM # default is 'gfx906' for HIP_PLATFORM=amd and 'sm_50' for HIP_PLATFORM=nvcc D HIP_PATH =value # value = path to HIP installation.

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D GPU_DEBUG =value # enable debug code in the GPU package library, mostly useful for developers # value = yes or no (default) D GPU_ARCH =value # primary GPU hardware choice for GPU_API=cuda # value = sm_XX (see below, default is sm_50) D GPU_PREC =value # precision setting # value = double or mixed (default) or single D GPU_API =value # value = opencl (default) or cuda or hip Versions use an incompatible API and thus LAMMPS will fail to compile. The zstd library version must be at least 1.4.

To build with this package you must have the zlib compression library available on your system to build dump styles withĪ ‘/gz’ suffix. This is the list of packages that may require additional steps. You may need to tell LAMMPS where it is found on your system. Library may need to exist on your system or be downloaded and built. Lammps/lib directory may need to be built first. For a build with make, a provided library under the Notes for saving disk space when building LAMMPS from sourceįor a CMake build there may be additional optional or required