diff --git a/doc/src/pair_snap.rst b/doc/src/pair_snap.rst index e00169b306..1bc17fa8c8 100644 --- a/doc/src/pair_snap.rst +++ b/doc/src/pair_snap.rst @@ -191,22 +191,19 @@ pair_coeff command, to avoid ambiguity in the number of coefficients. The keywords *chunksize* and *parallelthresh* are only applicable when using the pair style *snap* with the KOKKOS package on GPUs and are -ignored otherwise. -The *chunksize* keyword controls -the number of atoms in each pass used to compute the bispectrum -components and is used to avoid running out of memory. For example -if there are 8192 atoms in the simulation and the *chunksize* -is set to 4096, the bispectrum calculation will be broken up -into two passes (running on a single GPU). -The *parallelthresh* keyword controls -a crossover threshold for performing extra parallelism. For -small systems, exposing additional parallism can be beneficial when -there is not enough work to fully saturate the GPU threads otherwise. -However, the extra parallelism also leads to more divergence -and can hurt performance when the system is already large enough to -saturate the GPU threads. Extra parallelism will be performed if the -*chunksize* (or total number of atoms per GPU) is smaller than -*parallelthresh*. +ignored otherwise. The *chunksize* keyword controls the number of atoms +in each pass used to compute the bispectrum components and is used to +avoid running out of memory. For example if there are 8192 atoms in the +simulation and the *chunksize* is set to 4096, the bispectrum +calculation will be broken up into two passes (running on a single GPU). +The *parallelthresh* keyword controls a crossover threshold for +performing extra parallelism. For small systems, exposing additional +parallelism can be beneficial when there is not enough work to fully +saturate the GPU threads otherwise. However, the extra parallelism also +leads to more divergence and can hurt performance when the system is +already large enough to saturate the GPU threads. Extra parallelism +will be performed if the *chunksize* (or total number of atoms per GPU) +is smaller than *parallelthresh*. Detailed definitions for all the other keywords are given on the :doc:`compute sna/atom ` doc page.