Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F91254020
ljc_cut_gpu_memory.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
Sat, Nov 9, 09:40
Size
6 KB
Mime Type
text/x-c++
Expires
Mon, Nov 11, 09:40 (2 d)
Engine
blob
Format
Raw Data
Handle
22230424
Attached To
rLAMMPS lammps
ljc_cut_gpu_memory.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
------------------------------------------------------------------------- */
#ifdef USE_OPENCL
#include "ljc_cut_gpu_cl.h"
#else
#include "ljc_cut_gpu_ptx.h"
#endif
#include "ljc_cut_gpu_memory.h"
#include <cassert>
#define LJC_GPU_MemoryT LJC_GPU_Memory<numtyp, acctyp>
extern PairGPUDevice<PRECISION,ACC_PRECISION> pair_gpu_device;
template <class numtyp, class acctyp>
LJC_GPU_MemoryT::LJC_GPU_Memory() : ChargeGPUMemory<numtyp,acctyp>(),
_allocated(false) {
}
template <class numtyp, class acctyp>
LJC_GPU_MemoryT::~LJC_GPU_Memory() {
clear();
}
template <class numtyp, class acctyp>
int LJC_GPU_MemoryT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
}
template <class numtyp, class acctyp>
int LJC_GPU_MemoryT::init(const int ntypes,
double **host_cutsq, double **host_lj1,
double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
double *host_special_lj, const int nlocal,
const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *_screen,
double **host_cut_ljsq, double **host_cut_coulsq,
double *host_special_coul, const double qqrd2e) {
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split,
_screen,ljc_cut_gpu_kernel);
if (success!=0)
return success;
// If atom type constants fit in shared memory use fast kernel
int lj_types=ntypes;
shared_types=false;
int max_shared_types=this->device->max_shared_types();
if (lj_types<=max_shared_types && this->_block_size>=max_shared_types) {
lj_types=max_shared_types;
shared_types=true;
}
_lj_types=lj_types;
// Allocate a host write buffer for data initialization
UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
for (int i=0; i<lj_types*lj_types; i++)
host_write[i]=0.0;
lj1.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2,
host_cut_ljsq, host_cut_coulsq);
lj3.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4,
host_offset);
cutsq.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq);
sp_lj.alloc(8,*(this->ucl_device),UCL_READ_ONLY);
for (int i=0; i<4; i++) {
host_write[i]=host_special_lj[i];
host_write[i+4]=host_special_coul[i];
}
ucl_copy(sp_lj,host_write,8,false);
_qqrd2e=qqrd2e;
_allocated=true;
this->_max_bytes=lj1.row_bytes()+lj3.row_bytes()+cutsq.row_bytes()+
sp_lj.row_bytes();
return 0;
}
template <class numtyp, class acctyp>
void LJC_GPU_MemoryT::clear() {
if (!_allocated)
return;
_allocated=false;
lj1.clear();
lj3.clear();
cutsq.clear();
sp_lj.clear();
this->clear_atomic();
}
template <class numtyp, class acctyp>
double LJC_GPU_MemoryT::host_memory_usage() const {
return this->host_memory_usage_atomic()+sizeof(LJC_GPU_Memory<numtyp,acctyp>);
}
// ---------------------------------------------------------------------------
// Calculate energies, forces, and torques
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
void LJC_GPU_MemoryT::loop(const bool _eflag, const bool _vflag) {
// Compute the block size and grid size to keep all cores busy
const int BX=this->block_size();
int eflag, vflag;
if (_eflag)
eflag=1;
else
eflag=0;
if (_vflag)
vflag=1;
else
vflag=0;
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));
int ainum=this->ans->inum();
int nbor_pitch=this->nbor->nbor_pitch();
this->time_pair.start();
if (shared_types) {
this->k_pair_fast.set_size(GX,BX);
this->k_pair_fast.run(&this->atom->dev_x.begin(), &lj1.begin(),
&lj3.begin(), &sp_lj.begin(),
&this->nbor->dev_nbor.begin(),
&this->_nbor_data->begin(),
&this->ans->dev_ans.begin(),
&this->ans->dev_engv.begin(), &eflag, &vflag,
&ainum, &nbor_pitch,
&this->atom->dev_q.begin(), &cutsq.begin(),
&_qqrd2e, &this->_threads_per_atom);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->dev_x.begin(), &lj1.begin(), &lj3.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.begin(),
&this->_nbor_data->begin(), &this->ans->dev_ans.begin(),
&this->ans->dev_engv.begin(), &eflag, &vflag, &ainum,
&nbor_pitch, &this->atom->dev_q.begin(),
&cutsq.begin(), &_qqrd2e, &this->_threads_per_atom);
}
this->time_pair.stop();
}
template class LJC_GPU_Memory<PRECISION,ACC_PRECISION>;
Event Timeline
Log In to Comment