diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 608b5346c3..ee477a76da 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -479,11 +479,11 @@ KOKKOS, o = USER-OMP, t = OPT. nonehybridhybrid/overlayadp (o) airebo (o)beck (go)bodybop born (go)born/coul/long (cgo)born/coul/msm (o)born/coul/wolf (go) -brownian (o)brownian/poly (o)buck (cgo)buck/coul/cut (cgo) +brownian (o)brownian/poly (o)buck (cgko)buck/coul/cut (cgo) buck/coul/long (cgo)buck/coul/msm (o)buck/long/coul/long (o)colloid (go) comb (o)comb3coul/cut (gko)coul/debye (go) -coul/dsf (go)coul/long (go)coul/msmcoul/wolf (o) -dpd (o)dpd/tstat (o)dsmceam (cgot) +coul/dsf (gko)coul/long (go)coul/msmcoul/wolf (ko) +dpd (o)dpd/tstat (o)dsmceam (cgkot) eam/alloy (cgot)eam/fs (cgot)eim (o)gauss (go) gayberne (gio)gran/hertz/history (o)gran/hooke (co)gran/hooke/history (o) hbond/dreiding/lj (o)hbond/dreiding/morse (o)kimlcbop diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 2b9efad671..d86bf57177 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -732,7 +732,7 @@ KOKKOS, o = USER-OMP, t = OPT. "born/coul/wolf (go)"_pair_born.html, "brownian (o)"_pair_brownian.html, "brownian/poly (o)"_pair_brownian.html, -"buck (cgo)"_pair_buck.html, +"buck (cgko)"_pair_buck.html, "buck/coul/cut (cgo)"_pair_buck.html, "buck/coul/long (cgo)"_pair_buck.html, "buck/coul/msm (o)"_pair_buck.html, @@ -742,14 +742,14 @@ KOKKOS, o = USER-OMP, t = OPT. "comb3"_pair_comb.html, "coul/cut (gko)"_pair_coul.html, "coul/debye (go)"_pair_coul.html, -"coul/dsf (go)"_pair_coul.html, +"coul/dsf (gko)"_pair_coul.html, "coul/long (go)"_pair_coul.html, "coul/msm"_pair_coul.html, -"coul/wolf (o)"_pair_coul.html, +"coul/wolf (ko)"_pair_coul.html, "dpd (o)"_pair_dpd.html, "dpd/tstat (o)"_pair_dpd.html, "dsmc"_pair_dsmc.html, -"eam (cgot)"_pair_eam.html, +"eam (cgkot)"_pair_eam.html, "eam/alloy (cgot)"_pair_eam.html, "eam/fs (cgot)"_pair_eam.html, "eim (o)"_pair_eim.html, diff --git a/doc/fix_langevin.html b/doc/fix_langevin.html index 38c2c0ee53..6e65e257aa 100644 --- a/doc/fix_langevin.html +++ b/doc/fix_langevin.html @@ -11,6 +11,8 @@

fix langevin command

+

fix langevin/kk command +

Syntax:

fix ID group-ID langevin Tstart Tstop damp seed keyword values ... 
@@ -268,6 +270,29 @@ generates an average temperature of 220 K, instead of 300 K.
 


+

Styles with a cuda, gpu, intel, kk, omp, or opt suffix are +functionally the same as the corresponding style without the suffix. +They have been optimized to run faster, depending on your available +hardware, as discussed in Section_accelerate +of the manual. The accelerated styles take the same arguments and +should produce the same results, except for round-off and precision +issues. +

+

These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, +KOKKOS, USER-OMP and OPT packages, respectively. They are only +enabled if LAMMPS was built with those packages. See the Making +LAMMPS section for more info. +

+

You can specify the accelerated styles explicitly in your input script +by including their suffix, or you can use the -suffix command-line +switch when you invoke LAMMPS, or you can +use the suffix command in your input script. +

+

See Section_accelerate of the manual for +more instructions on how to use the accelerated styles effectively. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt index 9bb2c67a9f..ed741c804c 100644 --- a/doc/fix_langevin.txt +++ b/doc/fix_langevin.txt @@ -7,6 +7,7 @@ :line fix langevin command :h3 +fix langevin/kk command :h3 [Syntax:] @@ -256,6 +257,29 @@ generates an average temperature of 220 K, instead of 300 K. :line +Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +functionally the same as the corresponding style without the suffix. +They have been optimized to run faster, depending on your available +hardware, as discussed in "Section_accelerate"_Section_accelerate.html +of the manual. The accelerated styles take the same arguments and +should produce the same results, except for round-off and precision +issues. + +These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, +KOKKOS, USER-OMP and OPT packages, respectively. They are only +enabled if LAMMPS was built with those packages. See the "Making +LAMMPS"_Section_start.html#start_3 section for more info. + +You can specify the accelerated styles explicitly in your input script +by including their suffix, or you can use the "-suffix command-line +switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can +use the "suffix"_suffix.html command in your input script. + +See "Section_accelerate"_Section_accelerate.html of the manual for +more instructions on how to use the accelerated styles effectively. + +:line + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/pair_buck.html b/doc/pair_buck.html index 9dc9c33828..8671839fef 100644 --- a/doc/pair_buck.html +++ b/doc/pair_buck.html @@ -15,6 +15,8 @@

pair_style buck/gpu command

+

pair_style buck/kk command +

pair_style buck/omp command

pair_style buck/coul/cut command diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt index 3bda6e6f2e..bdda6501d8 100644 --- a/doc/pair_buck.txt +++ b/doc/pair_buck.txt @@ -9,6 +9,7 @@ pair_style buck command :h3 pair_style buck/cuda command :h3 pair_style buck/gpu command :h3 +pair_style buck/kk command :h3 pair_style buck/omp command :h3 pair_style buck/coul/cut command :h3 pair_style buck/coul/cut/cuda command :h3 diff --git a/doc/pair_coul.html b/doc/pair_coul.html index 8444990287..cb12b603ea 100644 --- a/doc/pair_coul.html +++ b/doc/pair_coul.html @@ -13,6 +13,8 @@

pair_style coul/cut/gpu command

+

pair_style coul/cut/kk command +

pair_style coul/cut/omp command

pair_style coul/debye command @@ -25,6 +27,8 @@

pair_style coul/dsf/gpu command

+

pair_style coul/dsf/kk command +

pair_style coul/dsf/omp command

pair_style coul/long command @@ -39,6 +43,8 @@

pair_style coul/wolf command

+

pair_style coul/wolf/kk command +

pair_style coul/wolf/omp command

pair_style tip4p/cut command diff --git a/doc/pair_coul.txt b/doc/pair_coul.txt index a7bda947ca..500d1c9ce7 100644 --- a/doc/pair_coul.txt +++ b/doc/pair_coul.txt @@ -8,12 +8,14 @@ pair_style coul/cut command :h3 pair_style coul/cut/gpu command :h3 +pair_style coul/cut/kk command :h3 pair_style coul/cut/omp command :h3 pair_style coul/debye command :h3 pair_style coul/debye/gpu command :h3 pair_style coul/debye/omp command :h3 pair_style coul/dsf command :h3 pair_style coul/dsf/gpu command :h3 +pair_style coul/dsf/kk command :h3 pair_style coul/dsf/omp command :h3 pair_style coul/long command :h3 pair_style coul/long/omp command :h3 @@ -21,6 +23,7 @@ pair_style coul/long/gpu command :h3 pair_style coul/msm command :h3 pair_style coul/msm/omp command :h3 pair_style coul/wolf command :h3 +pair_style coul/wolf/kk command :h3 pair_style coul/wolf/omp command :h3 pair_style tip4p/cut command :h3 pair_style tip4p/long command :h3 diff --git a/doc/pair_eam.html b/doc/pair_eam.html index 9b861197ca..9c8ef97aa8 100644 --- a/doc/pair_eam.html +++ b/doc/pair_eam.html @@ -15,6 +15,8 @@

pair_style eam/gpu command

+

pair_style eam/kk command +

pair_style eam/omp command

pair_style eam/opt command diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index 07a369d27b..5a90e0780b 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -9,6 +9,7 @@ pair_style eam command :h3 pair_style eam/cuda command :h3 pair_style eam/gpu command :h3 +pair_style eam/kk command :h3 pair_style eam/omp command :h3 pair_style eam/opt command :h3 pair_style eam/alloy command :h3