99 lines
2.5 KiB
C++
99 lines
2.5 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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#ifdef COMPUTE_CLASS
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// clang-format off
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ComputeStyle(temp/kk,ComputeTempKokkos<LMPDeviceType>);
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ComputeStyle(temp/kk/device,ComputeTempKokkos<LMPDeviceType>);
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ComputeStyle(temp/kk/host,ComputeTempKokkos<LMPHostType>);
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// clang-format on
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#else
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// clang-format off
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#ifndef LMP_COMPUTE_TEMP_KOKKOS_H
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#define LMP_COMPUTE_TEMP_KOKKOS_H
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#include "compute_temp.h"
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#include "kokkos_type.h"
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namespace LAMMPS_NS {
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template<int RMASS>
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struct TagComputeTempScalar{};
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template<int RMASS>
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struct TagComputeTempVector{};
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template<class DeviceType>
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class ComputeTempKokkos : public ComputeTemp {
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public:
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struct s_CTEMP {
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double t0, t1, t2, t3, t4, t5;
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KOKKOS_INLINE_FUNCTION
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s_CTEMP() {
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t0 = t1 = t2 = t3 = t4 = t5 = 0.0;
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}
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KOKKOS_INLINE_FUNCTION
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s_CTEMP& operator+=(const s_CTEMP &rhs) {
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t0 += rhs.t0;
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t1 += rhs.t1;
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t2 += rhs.t2;
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t3 += rhs.t3;
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t4 += rhs.t4;
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t5 += rhs.t5;
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return *this;
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}
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KOKKOS_INLINE_FUNCTION
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void operator+=(const volatile s_CTEMP &rhs) volatile {
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t0 += rhs.t0;
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t1 += rhs.t1;
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t2 += rhs.t2;
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t3 += rhs.t3;
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t4 += rhs.t4;
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t5 += rhs.t5;
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}
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};
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typedef s_CTEMP CTEMP;
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typedef DeviceType device_type;
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typedef CTEMP value_type;
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typedef ArrayTypes<DeviceType> AT;
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ComputeTempKokkos(class LAMMPS *, int, char **);
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double compute_scalar() override;
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void compute_vector() override;
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template<int RMASS>
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KOKKOS_INLINE_FUNCTION
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void operator()(TagComputeTempScalar<RMASS>, const int&, CTEMP&) const;
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template<int RMASS>
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KOKKOS_INLINE_FUNCTION
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void operator()(TagComputeTempVector<RMASS>, const int&, CTEMP&) const;
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protected:
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typename AT::t_v_array_randomread v;
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typename AT::t_float_1d_randomread rmass;
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typename AT::t_float_1d_randomread mass;
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typename AT::t_int_1d_randomread type;
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typename AT::t_int_1d_randomread mask;
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};
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}
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#endif
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#endif
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