Skip to content

fix(lammps): register Kokkos plugin styles #5988

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
OutisLi merged 2 commits into from
Aug 28, 2026
Merged

fix(lammps): register Kokkos plugin styles #5988

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
b9c4d8c
fix(lammps): register Kokkos plugin styles
njzjz-bot Aug 22, 2026
02c976b
Merge branch 'master' into fix/lammps-kokkos-plugin-registration
OutisLi Aug 28, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
52 changes: 52 additions & 0 deletions source/lmp/plugin/deepmdplugin.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,10 @@
#include "deepmd_version.h"
#include "fix_dplr.h"
#include "lammpsplugin.h"
#ifdef LMP_KOKKOS
#include "pair_deepmd_kokkos.h"
#include "pair_dpa4spin_kokkos.h"
#endif
#include "pair_deepmd.h"
#include "pair_deepspin.h"
#include "version.h"
Expand All @@ -19,6 +23,23 @@ using namespace LAMMPS_NS;
static Pair* pairdeepmd(LAMMPS* lmp) { return new PairDeepMD(lmp); }
static Pair* pairdeepspin(LAMMPS* lmp) { return new PairDeepSpin(lmp); }

#ifdef LMP_KOKKOS
// Runtime plugins do not consume the PairStyle declarations used by LAMMPS'
// built-in package machinery, so register each Kokkos alias explicitly.
static Pair* pairdeepmdkokkosdevice(LAMMPS* lmp) {
return new PairDeepMDKokkos<LMPDeviceType>(lmp);
}
static Pair* pairdeepmdkokkoshost(LAMMPS* lmp) {
return new PairDeepMDKokkos<LMPHostType>(lmp);
}
static Pair* pairdpa4spinkokkosdevice(LAMMPS* lmp) {
return new PairDPA4SpinKokkos<LMPDeviceType>(lmp);
}
static Pair* pairdpa4spinkokkoshost(LAMMPS* lmp) {
return new PairDPA4SpinKokkos<LMPHostType>(lmp);
}
#endif

static Compute* computedeepmdtensoratom(LAMMPS* lmp, int narg, char** arg) {
return new ComputeDeeptensorAtom(lmp, narg, arg);
}
Expand Down Expand Up @@ -48,6 +69,37 @@ extern "C" void lammpsplugin_init(void* lmp, void* handle, void* regfunc) {
plugin.handle = handle;
(*register_plugin)(&plugin, lmp);

#ifdef LMP_KOKKOS
plugin.version = LAMMPS_VERSION;
plugin.style = "pair";
plugin.name = "deepmd/kk";
plugin.info = "deepmd Kokkos pair style " STR_GIT_SUMM;
plugin.author = "Tiancheng Li";
plugin.creator.v1 = (lammpsplugin_factory1*)&pairdeepmdkokkosdevice;
plugin.handle = handle;
(*register_plugin)(&plugin, lmp);

plugin.name = "deepmd/kk/device";
(*register_plugin)(&plugin, lmp);

plugin.name = "deepmd/kk/host";
plugin.creator.v1 = (lammpsplugin_factory1*)&pairdeepmdkokkoshost;
(*register_plugin)(&plugin, lmp);

plugin.name = "dpa4spin/kk";
plugin.info = "dpa4spin Kokkos pair style " STR_GIT_SUMM;
plugin.author = "Tiancheng Li";
plugin.creator.v1 = (lammpsplugin_factory1*)&pairdpa4spinkokkosdevice;
(*register_plugin)(&plugin, lmp);

plugin.name = "dpa4spin/kk/device";
(*register_plugin)(&plugin, lmp);

plugin.name = "dpa4spin/kk/host";
plugin.creator.v1 = (lammpsplugin_factory1*)&pairdpa4spinkokkoshost;
(*register_plugin)(&plugin, lmp);
#endif

plugin.version = LAMMPS_VERSION;
plugin.style = "pair";
plugin.name = "deepspin";
Expand Down
Loading