37f22c8627
- Optimizations for molecular systems - Improved kernel performance and greater CPU overlap - Reduced GPU to CPU communications for discrete devices - Switch classic Intel makefiles to use LLVM-based compilers - Prefetch optimizations supported for OpenCL - Optimized data repack for quaternions
46 lines
1.3 KiB
C++
46 lines
1.3 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 PAIR_CLASS
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// clang-format off
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PairStyle(resquared/gpu,PairRESquaredGPU);
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// clang-format on
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#else
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#ifndef LMP_PAIR_RESQUARED_GPU_H
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#define LMP_PAIR_RESQUARED_GPU_H
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#include "pair_resquared.h"
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namespace LAMMPS_NS {
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class PairRESquaredGPU : public PairRESquared {
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public:
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PairRESquaredGPU(LAMMPS *lmp);
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~PairRESquaredGPU() override;
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void cpu_compute(int, int, int, int, int *, int *, int **);
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void compute(int, int) override;
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void init_style() override;
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double memory_usage() override;
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enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };
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private:
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int gpu_mode;
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double cpu_time;
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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