diff --git a/doc/src/Errors_messages.txt b/doc/src/Errors_messages.txt index fb5003e602..59371fcb05 100644 --- a/doc/src/Errors_messages.txt +++ b/doc/src/Errors_messages.txt @@ -2146,10 +2146,6 @@ Self-explanatory. :dd This is a current restriction in LAMMPS. :dd -{Cannot use pair hybrid with GPU neighbor list builds} :dt - -Neighbor list builds must be done on the CPU for this pair style. :dd - {Cannot use pair tail corrections with 2d simulations} :dt The correction factors are only currently defined for 3d systems. :dd @@ -5467,10 +5463,6 @@ Self-explanatory. :dd For this pair style, you cannot run part of the force calculation on the host. See the package command. :dd -{GPU split param must be positive for hybrid pair styles} :dt - -See the package gpu command. :dd - {GPUs are requested but Kokkos has not been compiled for CUDA} :dt Re-compile Kokkos with CUDA support to use GPUs. :dd diff --git a/doc/src/Speed_compare.txt b/doc/src/Speed_compare.txt index c93407515e..c95af3cb22 100644 --- a/doc/src/Speed_compare.txt +++ b/doc/src/Speed_compare.txt @@ -104,7 +104,7 @@ code (with a performance penalty due to having data transfers between host and GPU). :ulb,l The GPU package requires neighbor lists to be built on the CPU when using -exclusion lists, hybrid pair styles, or a triclinic simulation box. :l +exclusion lists, or a triclinic simulation box. :l 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 diff --git a/doc/src/package.txt b/doc/src/package.txt index c226d7942f..c3475266df 100644 --- a/doc/src/package.txt +++ b/doc/src/package.txt @@ -173,12 +173,10 @@ computation will be built. If {neigh} is {yes}, which is the default, neighbor list building is performed on the GPU. If {neigh} is {no}, neighbor list building is performed on the CPU. GPU neighbor list building currently cannot be used with a triclinic box. GPU neighbor -list calculation currently cannot be used with -"hybrid"_pair_hybrid.html pair styles. GPU neighbor lists are not -compatible with commands that are not GPU-enabled. When a non-GPU -enabled command requires a neighbor list, it will also be built on the -CPU. In these cases, it will typically be more efficient to only use -CPU neighbor list builds. +lists are not compatible with commands that are not GPU-enabled. When +a non-GPU enabled command requires a neighbor list, it will also be +built on the CPU. In these cases, it will typically be more efficient +to only use CPU neighbor list builds. The {newton} keyword sets the Newton flags for pairwise (not bonded) interactions to {off} or {on}, the same as the "newton"_newton.html diff --git a/src/GPU/README b/src/GPU/README index 792fc1a8b9..bba532beaf 100644 --- a/src/GPU/README +++ b/src/GPU/README @@ -1,9 +1,8 @@ This package implements GPU optimizations of various LAMMPS styles. -Section 5.3.1 on the manual gives details of what hardware and Cuda +Section 3.7 of the manual gives details of what hardware and Cuda software is required on your system, and full details on how to build -and use this package. See the KOKKOS package, which also has -GPU-enabled styles. +and use this package. The KOKKOS package also has GPU-enabled styles. This package uses an external library provided in lib/gpu which must be compiled before making LAMMPS. See the lib/gpu/README file and the diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h index c190a91061..ba0b4c83cb 100644 --- a/src/GPU/fix_gpu.h +++ b/src/GPU/fix_gpu.h @@ -65,14 +65,6 @@ E: GPU package does not (yet) work with atom_style template Self-explanatory. -E: Cannot use pair hybrid with GPU neighbor list builds - -Neighbor list builds must be done on the CPU for this pair style. - -E: GPU split param must be positive for hybrid pair styles - -See the package gpu command. - E: Cannot use package gpu neigh yes with triclinic box This is a current restriction in LAMMPS.