107 lines
3.0 KiB
C++
107 lines
3.0 KiB
C++
// clang-format off
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "fix_viscous_kokkos.h"
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#include "atom_kokkos.h"
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#include "update.h"
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#include "modify.h"
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#include "input.h"
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#include "memory_kokkos.h"
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#include "error.h"
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#include "atom_masks.h"
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#include "kokkos_base.h"
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using namespace LAMMPS_NS;
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using namespace FixConst;
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/* ---------------------------------------------------------------------- */
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template<class DeviceType>
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FixViscousKokkos<DeviceType>::FixViscousKokkos(LAMMPS *lmp, int narg, char **arg) :
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FixViscous(lmp, narg, arg)
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{
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kokkosable = 1;
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atomKK = (AtomKokkos *) atom;
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execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
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datamask_read = EMPTY_MASK;
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datamask_modify = EMPTY_MASK;
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}
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/* ---------------------------------------------------------------------- */
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template<class DeviceType>
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FixViscousKokkos<DeviceType>::~FixViscousKokkos()
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{
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if (copymode) return;
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}
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/* ---------------------------------------------------------------------- */
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template<class DeviceType>
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void FixViscousKokkos<DeviceType>::init()
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{
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FixViscous::init();
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k_gamma = Kokkos::DualView<double*, Kokkos::LayoutRight, DeviceType>("FixViscousKokkos:gamma",atom->ntypes+1);
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for (int i = 1; i <= atom->ntypes; i++) k_gamma.h_view(i) = gamma[i];
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k_gamma.template modify<LMPHostType>();
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k_gamma.template sync<DeviceType>();
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if (utils::strmatch(update->integrate_style,"^respa"))
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error->all(FLERR,"Cannot (yet) use respa with Kokkos");
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}
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/* ---------------------------------------------------------------------- */
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template<class DeviceType>
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void FixViscousKokkos<DeviceType>::post_force(int /*vflag*/)
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{
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atomKK->sync(execution_space, V_MASK | F_MASK | MASK_MASK | TYPE_MASK);
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v = atomKK->k_v.view<DeviceType>();
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f = atomKK->k_f.view<DeviceType>();
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mask = atomKK->k_mask.view<DeviceType>();
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type = atomKK->k_type.view<DeviceType>();
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int nlocal = atom->nlocal;
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copymode = 1;
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Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagFixViscous>(0,nlocal),*this);
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copymode = 0;
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atomKK->modified(execution_space, F_MASK);
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}
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template<class DeviceType>
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KOKKOS_INLINE_FUNCTION
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void FixViscousKokkos<DeviceType>::operator()(TagFixViscous, const int &i) const {
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if (mask[i] & groupbit) {
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double drag = k_gamma.d_view(type[i]);
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f(i,0) -= drag*v(i,0);
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f(i,1) -= drag*v(i,1);
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f(i,2) -= drag*v(i,2);
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}
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}
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namespace LAMMPS_NS {
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template class FixViscousKokkos<LMPDeviceType>;
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#ifdef LMP_KOKKOS_GPU
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template class FixViscousKokkos<LMPHostType>;
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#endif
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}
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