diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt index c734d642cea2a1f045438edccc019ac4aff98830..04cf53691be0c7379bd031b8feefe46119627748 100644 --- a/doc/src/Speed_kokkos.txt +++ b/doc/src/Speed_kokkos.txt @@ -228,7 +228,7 @@ for details and default settings. Experimenting with its options can provide a speed-up for specific calculations. For example: mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -pk kokkos binsize 2.8 -in in.lj # Set binsize = neighbor ghost cutoff -mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -pk kokkos newton on neigh half binsize 2.8 -in in.lj # Newton on, half neighborlist, set binsize = neighbor ghost cutoff :pre +mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -pk kokkos newton on neigh half binsize 2.8 -in in.lj # Newton on, half neighbor list, set binsize = neighbor ghost cutoff :pre NOTE: For good performance of the KOKKOS package on GPUs, you must have Kepler generation GPUs (or later). The Kokkos library exploits diff --git a/doc/src/special_bonds.txt b/doc/src/special_bonds.txt index 47544b0b4e13cd9bb5a3f69081e82d81441de007..07b4986673c3e8abaad6d4c1b2c6675911d90d3e 100644 --- a/doc/src/special_bonds.txt +++ b/doc/src/special_bonds.txt @@ -64,7 +64,7 @@ e.g. when using the "pair_style hybrid"_pair_hybrid.html command. Thus LAMMPS ignores special_bonds settings when manybody potentials are calculated. Please note, that the existence of explicit bonds for atoms that are described by a manybody potential will alter the -neighborlist and thus can render the computation of those interactions +neighbor list and thus can render the computation of those interactions invalid, since those pairs are not only used to determine direct pairwise interactions but also neighbors of neighbors and more. The recommended course of action is to remove such bonds, or - if