Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F76680713
pair_gpu_atom.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Aug 9, 20:07
Size
8 KB
Mime Type
text/x-c++
Expires
Sun, Aug 11, 20:07 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
19746761
Attached To
rLAMMPS lammps
pair_gpu_atom.cpp
View Options
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
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 authors: Mike Brown (ORNL), brownw@ornl.gov
------------------------------------------------------------------------- */
#include "pair_gpu_atom.h"
#define PairGPUAtomT PairGPUAtom<numtyp,acctyp>
#ifdef WINDLL
#include <windows.h>
typedef bool (*__win_sort_alloc)(const int max_atoms);
typedef void (*__win_sort)(const int max_atoms, unsigned *cell_begin,
int *particle_begin);
__win_sort_alloc _win_sort_alloc;
__win_sort _win_sort;
#endif
template <class numtyp, class acctyp>
PairGPUAtomT::PairGPUAtom() : _compiled(false),_allocated(false),
_max_gpu_bytes(0) {
#ifndef USE_OPENCL
sort_config.op = CUDPP_ADD;
sort_config.datatype = CUDPP_UINT;
sort_config.algorithm = CUDPP_SORT_RADIX;
sort_config.options = CUDPP_OPTION_KEY_VALUE_PAIRS;
#ifdef WINDLL
HINSTANCE hinstLib = LoadLibrary(TEXT("gpu.dll"));
if (hinstLib == NULL) {
printf("\nUnable to load gpu.dll\n");
exit(1);
}
_win_sort_alloc=(__win_sort_alloc)GetProcAddress(hinstLib,"_win_sort_alloc");
_win_sort=(__win_sort)GetProcAddress(hinstLib,"_win_sort");
#endif
#endif
}
template <class numtyp, class acctyp>
int PairGPUAtomT::bytes_per_atom() const {
int id_space=0;
if (_gpu_nbor)
id_space=2;
int bytes=4*sizeof(numtyp)+id_space;
if (_rot)
bytes+=4*sizeof(numtyp);
if (_charge)
bytes+=sizeof(numtyp);
return bytes;
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::alloc(const int nall) {
_max_atoms=static_cast<int>(static_cast<double>(nall)*1.10);
bool success=true;
// Ignore host/device transfers?
bool cpuview=false;
if (dev->device_type()==UCL_CPU)
cpuview=true;
// Allocate storage for CUDPP sort
#ifndef USE_OPENCL
#ifdef WINDLL
_win_sort_alloc(_max_atoms);
#else
if (_gpu_nbor) {
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
if (CUDPP_SUCCESS != result)
return false;
}
#endif
#endif
// -------------------------- Host allocations
// Get a host write only buffer
#ifdef GPU_CAST
success=success && (host_x_cast.alloc(_max_atoms*3,*dev,
UCL_WRITE_OPTIMIZED)==UCL_SUCCESS);
success=success && (host_type_cast.alloc(_max_atoms,*dev,
UCL_WRITE_OPTIMIZED)==UCL_SUCCESS);
#else
success=success && (host_x.alloc(_max_atoms*4,*dev,
UCL_WRITE_OPTIMIZED)==UCL_SUCCESS);
#endif
// Buffer for casting only if different precisions
if (_charge)
success=success && (host_q.alloc(_max_atoms,*dev,
UCL_WRITE_OPTIMIZED)==UCL_SUCCESS);
// Buffer for casting only if different precisions
if (_rot)
success=success && (host_quat.alloc(_max_atoms*4,*dev,
UCL_WRITE_OPTIMIZED)==UCL_SUCCESS);
// --------------------------- Device allocations
int gpu_bytes=0;
if (cpuview) {
#ifdef GPU_CAST
assert(0==1);
#else
dev_x.view(host_x);
#endif
if (_rot)
dev_quat.view(host_quat);
if (_charge)
dev_q.view(host_q);
} else {
#ifdef GPU_CAST
success=success && (UCL_SUCCESS==dev_x.alloc(_max_atoms*4,*dev));
success=success && (UCL_SUCCESS==
dev_x_cast.alloc(_max_atoms*3,*dev,UCL_READ_ONLY));
success=success && (UCL_SUCCESS==
dev_type_cast.alloc(_max_atoms,*dev,UCL_READ_ONLY));
gpu_bytes+=dev_x_cast.row_bytes()+dev_type_cast.row_bytes();
#else
success=success && (UCL_SUCCESS==
dev_x.alloc(_max_atoms*4,*dev,UCL_READ_ONLY));
#endif
if (_charge) {
success=success && (dev_q.alloc(_max_atoms,*dev,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=dev_q.row_bytes();
}
if (_rot) {
success=success && (dev_quat.alloc(_max_atoms*4,*dev,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=dev_quat.row_bytes();
}
}
if (_gpu_nbor) {
success=success && (dev_cell_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
success=success && (dev_particle_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_cell_id.row_bytes()+dev_particle_id.row_bytes();
if (_bonds) {
success=success && (dev_tag.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_tag.row_bytes();
}
}
gpu_bytes+=dev_x.row_bytes();
if (gpu_bytes>_max_gpu_bytes)
_max_gpu_bytes=gpu_bytes;
_allocated=true;
return success;
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::add_fields(const bool charge, const bool rot,
const bool gpu_nbor, const bool bonds) {
bool realloc=false;
if (charge && _charge==false) {
_charge=true;
realloc=true;
}
if (rot && _rot==false) {
_rot=true;
realloc=true;
}
if (gpu_nbor && _gpu_nbor==false) {
_gpu_nbor=true;
realloc=true;
}
if (bonds && _bonds==false) {
_bonds=true;
realloc=true;
}
if (realloc) {
_other=_charge || _rot;
int max_atoms=_max_atoms;
clear_resize();
return alloc(max_atoms);
}
return true;
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::init(const int nall, const bool charge, const bool rot,
UCL_Device &devi, const bool gpu_nbor,
const bool bonds) {
clear();
bool success=true;
_x_avail=false;
_q_avail=false;
_quat_avail=false;
_resized=false;
_gpu_nbor=gpu_nbor;
_bonds=bonds;
_charge=charge;
_rot=rot;
_other=_charge || _rot;
dev=&devi;
// Initialize atom and nbor data
int ef_nall=nall;
if (ef_nall==0)
ef_nall=2000;
// Initialize timers for the selected device
time_pos.init(*dev);
time_q.init(*dev);
time_quat.init(*dev);
time_pos.zero();
time_q.zero();
time_quat.zero();
_time_cast=0.0;
#ifdef GPU_CAST
compile_kernels(*dev);
#endif
return success && alloc(ef_nall);
}
template <class numtyp, class acctyp>
void PairGPUAtomT::clear_resize() {
if (!_allocated)
return;
_allocated=false;
dev_x.clear();
if (_charge) {
dev_q.clear();
host_q.clear();
}
if (_rot) {
dev_quat.clear();
host_quat.clear();
}
#ifndef GPU_CAST
host_x.clear();
#else
host_x_cast.clear();
host_type_cast.clear();
#endif
dev_cell_id.clear();
dev_particle_id.clear();
dev_tag.clear();
#ifdef GPU_CAST
dev_x_cast.clear();
dev_type_cast.clear();
#endif
#ifndef USE_OPENCL
#ifndef WINDLL
if (_gpu_nbor) cudppDestroyPlan(sort_plan);
#endif
#endif
}
template <class numtyp, class acctyp>
void PairGPUAtomT::clear() {
_max_gpu_bytes=0;
if (!_allocated)
return;
time_pos.clear();
time_q.clear();
time_quat.clear();
clear_resize();
#ifdef GPU_CAST
if (_compiled) {
k_cast_x.clear();
delete atom_program;
_compiled=false;
}
#endif
}
template <class numtyp, class acctyp>
double PairGPUAtomT::host_memory_usage() const {
int atom_bytes=4;
if (_charge)
atom_bytes+=1;
if (_rot)
atom_bytes+=4;
return _max_atoms*atom_bytes*sizeof(numtyp)+
sizeof(PairGPUAtom<numtyp,acctyp>);
}
// Sort arrays for neighbor list calculation
template <class numtyp, class acctyp>
void PairGPUAtomT::sort_neighbor(const int num_atoms) {
#ifndef USE_OPENCL
#ifdef WINDLL
_win_sort(num_atoms,(unsigned *)dev_cell_id.begin(),
(int *)dev_particle_id.begin());
#else
CUDPPResult result = cudppSort(sort_plan, (unsigned *)dev_cell_id.begin(),
(int *)dev_particle_id.begin(),
8*sizeof(unsigned), num_atoms);
if (CUDPP_SUCCESS != result) {
printf("Error in cudppSort\n");
NVD_GERYON_EXIT;
}
#endif
#endif
}
#ifdef GPU_CAST
#ifdef USE_OPENCL
#include "pair_gpu_atom_cl.h"
#else
#include "pair_gpu_atom_ptx.h"
#endif
template <class numtyp, class acctyp>
void PairGPUAtomT::compile_kernels(UCL_Device &dev) {
atom_program=new UCL_Program(dev);
atom_program->load_string(pair_gpu_atom_kernel,"");
k_cast_x.set_function(*atom_program,"kernel_cast_x");
_compiled=true;
}
#endif
template class PairGPUAtom<PRECISION,ACC_PRECISION>;
Event Timeline
Log In to Comment