56 lines
1.9 KiB
C++
56 lines
1.9 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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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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/* ----------------------------------------------------------------------
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Contributing author: Matt Bettencourt (NVIDIA)
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------------------------------------------------------------------------- */
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#ifndef LMP_MLIAP_MODEL_KOKKOS_H
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#define LMP_MLIAP_MODEL_KOKKOS_H
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#include "kokkos_type.h"
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#include "memory_kokkos.h"
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#include "pointers.h"
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namespace LAMMPS_NS {
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template <class DeviceType> class MLIAPModelKokkos : protected Pointers {
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public:
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MLIAPModelKokkos(LAMMPS *lmp, MLIAPModel *model_in) : Pointers(lmp), model(model_in) {}
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virtual ~MLIAPModelKokkos()
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{
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memoryKK->destroy_kokkos(k_coeffelem,model->coeffelem);
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model->coeffelem = nullptr;
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}
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void set_k_coeffelem()
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{
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if ( model->coeffelem == nullptr )
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return;
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double **tmp = nullptr;
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memoryKK->create_kokkos(k_coeffelem, tmp, model->nelements, model->nparams,
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"MLIAPModelKokkos::coeffelem");
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for (int i = 0; i < model->nelements; ++i)
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for (int j = 0; j < model->nparams; ++j) tmp[i][j] = model->coeffelem[i][j];
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memory->destroy(model->coeffelem);
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model->coeffelem = tmp;
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k_coeffelem.modify<LMPHostType>();
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k_coeffelem.sync<LMPDeviceType>();
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}
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MLIAPModel *model;
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DAT::tdual_float_2d k_coeffelem;
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};
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} // namespace LAMMPS_NS
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#endif
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