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lammps/src/KOKKOS/mliap_descriptor_kokkos.h
2023-08-03 10:59:31 -04:00

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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Matt Bettencourt (NVIDIA)
------------------------------------------------------------------------- */
#ifndef LMP_MLIAP_DESCRIPTOR_KOKKOS_H
#define LMP_MLIAP_DESCRIPTOR_KOKKOS_H
#include "kokkos_type.h"
#include "memory_kokkos.h"
#include "mliap_descriptor.h"
#include "pointers.h"
namespace LAMMPS_NS {
template <class DeviceType> class MLIAPDescriptorKokkos : virtual protected Pointers {
public:
MLIAPDescriptorKokkos(LAMMPS *lmp, MLIAPDescriptor *descriptor_in) :
Pointers(lmp), descriptor(descriptor_in)
{
memoryKK->destroy_kokkos(k_wjelem);
}
void init_data()
{
int num_elems = descriptor->nelements;
memoryKK->destroy_kokkos(k_wjelem);
memoryKK->create_kokkos(k_wjelem, num_elems, "MLIAPDescriptorKokkos::k_wjelem");
for (int i = 0; i < num_elems; ++i) k_wjelem.h_view(i) = descriptor->wjelem[i];
k_wjelem.modify<LMPHostType>();
k_wjelem.sync<LMPDeviceType>();
}
virtual ~MLIAPDescriptorKokkos()
{
memoryKK->destroy_kokkos(k_wjelem);
}
MLIAPDescriptor *descriptor;
DAT::tdual_float_1d k_wjelem;
};
} // namespace LAMMPS_NS
#endif