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update docs and sources and for changes in this branch

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Axel Kohlmeyer
2019-05-18 15:16:10 -04:00
parent 601746b565
commit dc8b43a95f
5 changed files with 7 additions and 26 deletions
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8
doc/src/Errors_messages.txt
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@ -2146,10 +2146,6 @@ Self-explanatory. :dd
This is a current restriction in LAMMPS. :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 {Cannot use pair tail corrections with 2d simulations} :dt
The correction factors are only currently defined for 3d systems. :dd 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 For this pair style, you cannot run part of the force calculation on
the host. See the package command. :dd 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 {GPUs are requested but Kokkos has not been compiled for CUDA} :dt
Re-compile Kokkos with CUDA support to use GPUs. :dd Re-compile Kokkos with CUDA support to use GPUs. :dd

2
doc/src/Speed_compare.txt
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@ -104,7 +104,7 @@ code (with a performance penalty due to having data transfers between
host and GPU). :ulb,l host and GPU). :ulb,l
The GPU package requires neighbor lists to be built on the CPU when using 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 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 both, Nvidia and AMD GPUs well. On Nvidia hardware, using CUDA is typically

10
doc/src/package.txt
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@ -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 GPU. If {neigh} is {no},
neighbor list building is performed on the CPU. GPU neighbor list neighbor list building is performed on the CPU. GPU neighbor list
building currently cannot be used with a triclinic box. GPU neighbor building currently cannot be used with a triclinic box. GPU neighbor
list calculation currently cannot be used with lists are not compatible with commands that are not GPU-enabled. When
"hybrid"_pair_hybrid.html pair styles. GPU neighbor lists are not a non-GPU enabled command requires a neighbor list, it will also be
compatible with commands that are not GPU-enabled. When a non-GPU built on the CPU. In these cases, it will typically be more efficient
enabled command requires a neighbor list, it will also be built on the to only use CPU neighbor list builds.
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) The {newton} keyword sets the Newton flags for pairwise (not bonded)
interactions to {off} or {on}, the same as the "newton"_newton.html interactions to {off} or {on}, the same as the "newton"_newton.html

5
src/GPU/README
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@ -1,9 +1,8 @@
This package implements GPU optimizations of various LAMMPS styles. 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 software is required on your system, and full details on how to build
and use this package. See the KOKKOS package, which also has and use this package. The KOKKOS package also has GPU-enabled styles.
GPU-enabled styles.
This package uses an external library provided in lib/gpu which must 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 be compiled before making LAMMPS. See the lib/gpu/README file and the

8
src/GPU/fix_gpu.h
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@ -65,14 +65,6 @@ E: GPU package does not (yet) work with atom_style template
Self-explanatory. 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 E: Cannot use package gpu neigh yes with triclinic box
This is a current restriction in LAMMPS. This is a current restriction in LAMMPS.