88 lines
2.7 KiB
C++
88 lines
2.7 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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 authors: Mike Brown (SNL), wmbrown@sandia.gov
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Peng Wang (Nvidia), penwang@nvidia.com
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Paul Crozier (SNL), pscrozi@sandia.gov
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------------------------------------------------------------------------- */
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#ifndef LJ_GPU_MEMORY_H
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#define LJ_GPU_MEMORY_H
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#include "nvc_device.h"
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#include "nvc_traits.h"
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#include "pair_gpu_atom.h"
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#include "pair_gpu_nbor.h"
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#define BLOCK_1D 64 // max value = 256
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#define CELL_SIZE BLOCK_1D
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#define MAX_SHARED_TYPES 8
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#define BIG_NUMBER 100000000
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template <class numtyp, class acctyp>
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class LJ_GPU_Memory {
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public:
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LJ_GPU_Memory() : allocated(false) {}
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~LJ_GPU_Memory() { clear(); }
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inline bool is_allocated() { return allocated; }
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/// Allocate memory on host and device
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bool init(const int ij_size, const int ntypes, double **host_cutsq,
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double **host_sigma, double **host_epsilon,
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double **host_lj1, double **host_lj2, double **host_lj3,
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double **host_lj4, double **host_offset, double *host_special_lj,
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const int max_nbors, const int me, const int nlocal,
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const int nall);
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/// Free any memory on host and device
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void clear();
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/// Returns memory usage on GPU per atom
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int bytes_per_atom(const int max_nbors) const;
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/// Total host memory used by library
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double host_memory_usage() const;
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// ------------------------- DATA -----------------------------
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// Device Properties
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NVCDevice gpu;
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// Device Error Flag
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NVC_VecI dev_error;
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// Stream for asynchronous work
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cudaStream_t pair_stream;
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// Atom Data
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PairGPUAtom<numtyp,acctyp> atom;
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// Neighbor Data
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PairGPUNbor nbor;
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// --------------- Const Data for Atoms
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NVC_ConstMatT sigma, epsilon, cutsq, offset;
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NVC_ConstMat< typename nvc_vec_traits<numtyp>::vec2 > lj1, lj3;
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NVC_VecT special_lj;
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size_t max_atoms, max_local;
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// Timing for pair calculation
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NVCTimer time_pair;
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// If atom type constants fit in shared memory, use fast kernels
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bool shared_types;
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protected:
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bool allocated;
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};
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#endif
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