update statements about what packages support and what not
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@ -44,11 +44,6 @@ section below for examples where this has been done.
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system the crossover (in single precision) is often about 50K-100K
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atoms per GPU. When performing double precision calculations the
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crossover point can be significantly smaller.
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* Both KOKKOS and GPU package compute bonded interactions (bonds, angles,
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etc) on the CPU. If the GPU package is running with several MPI processes
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assigned to one GPU, the cost of computing the bonded interactions is
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spread across more CPUs and hence the GPU package can run faster in these
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cases.
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* When using LAMMPS with multiple MPI ranks assigned to the same GPU, its
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performance depends to some extent on the available bandwidth between
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the CPUs and the GPU. This can differ significantly based on the
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@ -85,10 +80,10 @@ section below for examples where this has been done.
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code (with a performance penalty due to having data transfers between
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host and GPU).
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* The GPU package requires neighbor lists to be built on the CPU when using
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exclusion lists, or a triclinic simulation box.
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* The GPU package can be compiled for CUDA or OpenCL and thus supports
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both, NVIDIA and AMD GPUs well. On NVIDIA hardware, using CUDA is typically
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resulting in equal or better performance over OpenCL.
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hybrid pair styles, exclusion lists, or a triclinic simulation box.
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* The GPU package can be compiled for CUDA, HIP, or OpenCL and thus supports
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NVIDIA, AMD, and Intel GPUs well. On NVIDIA hardware, using CUDA is
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typically resulting in equal or better performance over OpenCL.
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* OpenCL in the GPU package does theoretically also support Intel CPUs or
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Intel Xeon Phi, but the native support for those in KOKKOS (or INTEL)
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is superior.
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