diff --git a/doc/Section_accelerate.txt b/doc/Section_accelerate.txt index 37a49d5f68..76bddc84f3 100644 --- a/doc/Section_accelerate.txt +++ b/doc/Section_accelerate.txt @@ -566,6 +566,19 @@ calculations. The USER-CUDA package currently supports a wider range of pair styles and can also accelerate many fix styles and some compute styles, as well as neighbor list and PPPM calculations. :ulb,l +The USER-CUDA package does not support acceleration for minimization. :l + +The USER-CUDA package does not support hybrid pair styles. :l + +The USER-CUDA package can order atoms in the neighbor list differently +from run to run resulting in a different order for force accumulation. :l + +The USER-CUDA package has a limit on the number of atom types that can be +used in a simulation. :l + +The GPU package requires neighbor lists to be built on the CPU when using +exclusion lists or a triclinic simulation box. :l + The GPU package uses more GPU memory than the USER-CUDA package. This is generally not a problem since typical runs are computation-limited rather than memory-limited. :l,ule diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index f866b6801c..12d6a40cd9 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -724,11 +724,14 @@ package"_Section_accelerate.html. "brownian/omp"_pair_brownian.html, "brownian/poly/omp"_pair_brownian.html, "buck/coul/cut/cuda"_pair_buck.html, +"buck/coul/cut/gpu"_pair_buck.html, "buck/coul/cut/omp"_pair_buck.html, "buck/coul/long/cuda"_pair_buck.html, +"buck/coul/long/gpu"_pair_buck.html, "buck/coul/long/omp"_pair_buck.html, "buck/coul/omp"_pair_buck_coul.html, "buck/cuda"_pair_buck.html, +"buck/gpu"_pair_buck.html, "buck/omp"_pair_buck.html, "colloid/omp"_pair_colloid.html, "comb/omp"_pair_comb.html, @@ -742,13 +745,16 @@ package"_Section_accelerate.html. "dpd/omp"_pair_dpd.html, "dpd/tstat/omp"_pair_dpd.html, "eam/alloy/cuda"_pair_eam.html, +"eam/alloy/gpu"_pair_eam.html, "eam/alloy/omp"_pair_eam.html, "eam/alloy/opt"_pair_eam.html, "eam/cd/omp"_pair_eam.html, "eam/cuda"_pair_eam.html, "eam/fs/cuda"_pair_eam.html, +"eam/fs/gpu"_pair_eam.html, "eam/fs/omp"_pair_eam.html, "eam/fs/opt"_pair_eam.html, +"eam/gpu"_pair_eam.html, "eam/omp"_pair_eam.html, "eam/opt"_pair_eam.html, "edip/omp"_pair_edip.html, @@ -832,12 +838,14 @@ package"_Section_accelerate.html. "soft/omp"_pair_soft.html, "sw/cuda"_pair_sw.html, "sw/omp"_pair_sw.html, +"table/gpu"_pair_table.html, "table/omp"_pair_table.html, "tersoff/cuda"_pair_tersoff.html, "tersoff/omp"_pair_tersoff.html, "tersoff/table/omp"_pair_tersoff.html, "tersoff/zbl/omp"_pair_tersoff_zbl.html, "tri/lj/omp"_pair_tri_lj.html, +"yukawa/gpu"_pair_yukawa.html, "yukawa/omp"_pair_yukawa.html, "yukawa/colloid/omp"_pair_yukawa_colloid.html :tb(c=4,ea=c) diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index 64b07b8b04..14a99e82e7 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -1339,10 +1339,26 @@ Too many neighbor bins will be created. This typically happens when the simulation box is very small in some dimension, compared to the neighbor cutoff. Use the "nsq" style instead of "bin" style. :dd +{Cannot use newton pair with buck/gpu pair style} :dt + +UNDOCUMENTED :dd + +{Cannot use newton pair with buck/coul/cut/gpu pair style} :dt + +UNDOCUMENTED :dd + +{Cannot use newton pair with buck/coul/long/gpu pair style} :dt + +UNDOCUMENTED :dd + {Cannot use newton pair with coul/long/gpu pair style} :dt UNDOCUMENTED :dd +{Cannot use newton pair with eam/gpu pair style} :dt + +UNDOCUMENTED :dd + {Cannot use newton pair with gayberne/gpu pair style} :dt UNDOCUMENTED :dd @@ -1387,6 +1403,14 @@ UNDOCUMENTED :dd UNDOCUMENTED :dd +{Cannot use newton pair with table/gpu pair style} :dt + +UNDOCUMENTED :dd + +{Cannot use newton pair with yukawa/gpu pair style} :dt + +UNDOCUMENTED :dd + {Cannot use non-zero forces in an energy minimization} :dt Fix setforce cannot be used in this manner. Use fix addforce diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt index 94e42ac20f..a89062799d 100644 --- a/doc/pair_buck.txt +++ b/doc/pair_buck.txt @@ -8,12 +8,15 @@ pair_style buck command :h3 pair_style buck/cuda command :h3 +pair_style buck/gpu command :h3 pair_style buck/omp command :h3 pair_style buck/coul/cut command :h3 pair_style buck/coul/cut/cuda command :h3 +pair_style buck/coul/cut/gpu command :h3 pair_style buck/coul/cut/omp command :h3 pair_style buck/coul/long command :h3 pair_style buck/coul/long/cuda command :h3 +pair_style buck/coul/long/gpu command :h3 pair_style buck/coul/long/omp command :h3 [Syntax:] diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index 90883c9712..c865155061 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -8,16 +8,19 @@ pair_style eam command :h3 pair_style eam/cuda command :h3 +pair_style eam/gpu command :h3 pair_style eam/omp command :h3 pair_style eam/opt command :h3 pair_style eam/alloy command :h3 pair_style eam/alloy/cuda command :h3 +pair_style eam/alloy/gpu command :h3 pair_style eam/alloy/omp command :h3 pair_style eam/alloy/opt command :h3 pair_style eam/cd command :h3 pair_style eam/cd/omp command :h3 pair_style eam/fs command :h3 pair_style eam/fs/cuda command :h3 +pair_style eam/fs/gpu command :h3 pair_style eam/fs/omp command :h3 pair_style eam/fs/opt command :h3 diff --git a/doc/pair_table.txt b/doc/pair_table.txt index c6916de68b..f5629a0fb8 100644 --- a/doc/pair_table.txt +++ b/doc/pair_table.txt @@ -7,6 +7,7 @@ :line pair_style table command :h3 +pair_style table/gpu command :h3 pair_style table/omp command :h3 [Syntax:] diff --git a/doc/pair_yukawa.txt b/doc/pair_yukawa.txt index a7f6d6eb11..173710d6a2 100644 --- a/doc/pair_yukawa.txt +++ b/doc/pair_yukawa.txt @@ -7,6 +7,7 @@ :line pair_style yukawa command :h3 +pair_style yukawa/gpu command :h3 pair_style yukawa/omp command :h3 [Syntax:]