update statements about what packages support and what not

This commit is contained in:
Axel Kohlmeyer
2025-03-06 11:08:22 -05:00
parent abc14c00a0
commit 09c8dc07d8

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@ -44,11 +44,6 @@ section below for examples where this has been done.
system the crossover (in single precision) is often about 50K-100K
atoms per GPU. When performing double precision calculations the
crossover point can be significantly smaller.
* Both KOKKOS and GPU package compute bonded interactions (bonds, angles,
etc) on the CPU. If the GPU package is running with several MPI processes
assigned to one GPU, the cost of computing the bonded interactions is
spread across more CPUs and hence the GPU package can run faster in these
cases.
* When using LAMMPS with multiple MPI ranks assigned to the same GPU, its
performance depends to some extent on the available bandwidth between
the CPUs and the GPU. This can differ significantly based on the
@ -85,10 +80,10 @@ section below for examples where this has been done.
code (with a performance penalty due to having data transfers between
host and GPU).
* The GPU package requires neighbor lists to be built on the CPU when using
exclusion lists, or a triclinic simulation box.
* The GPU package can be compiled for CUDA or OpenCL and thus supports
both, NVIDIA and AMD GPUs well. On NVIDIA hardware, using CUDA is typically
resulting in equal or better performance over OpenCL.
hybrid pair styles, exclusion lists, or a triclinic simulation box.
* The GPU package can be compiled for CUDA, HIP, or OpenCL and thus supports
NVIDIA, AMD, and Intel GPUs well. On NVIDIA hardware, using CUDA is
typically resulting in equal or better performance over OpenCL.
* OpenCL in the GPU package does theoretically also support Intel CPUs or
Intel Xeon Phi, but the native support for those in KOKKOS (or INTEL)
is superior.