ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

More renaming...

Browse Source
This commit is contained in:
W. Michael Brown
2011-06-10 17:31:48 -04:00
parent 7e0f127008
commit 9ee36a3c22
53 changed files with 580 additions and 637 deletions
Download Patch File Download Diff File Expand all files Collapse all files

52
lib/gpu/atom.cpp
View File

@ -1,26 +1,24 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
/***************************************************************************
atom.cpp
-------------------
W. Michael Brown (ORNL)
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.
Class for particle data management
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
------------------------------------------------------------------------- */
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
email : brownw@ornl.gov
***************************************************************************/
#include "atom.h"
#define PairGPUAtomT PairGPUAtom<numtyp,acctyp>
#define AtomT Atom<numtyp,acctyp>
template <class numtyp, class acctyp>
PairGPUAtomT::PairGPUAtom() : _compiled(false),_allocated(false),
AtomT::Atom() : _compiled(false),_allocated(false),
_max_gpu_bytes(0) {
#ifndef USE_OPENCL
sort_config.op = CUDPP_ADD;
@ -31,7 +29,7 @@ PairGPUAtomT::PairGPUAtom() : _compiled(false),_allocated(false),
}
template <class numtyp, class acctyp>
int PairGPUAtomT::bytes_per_atom() const {
int AtomT::bytes_per_atom() const {
int id_space=0;
if (_gpu_nbor)
id_space=2;
@ -44,7 +42,7 @@ int PairGPUAtomT::bytes_per_atom() const {
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::alloc(const int nall) {
bool AtomT::alloc(const int nall) {
_max_atoms=static_cast<int>(static_cast<double>(nall)*1.10);
bool success=true;
@ -138,7 +136,7 @@ bool PairGPUAtomT::alloc(const int nall) {
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::add_fields(const bool charge, const bool rot,
bool AtomT::add_fields(const bool charge, const bool rot,
const bool gpu_nbor, const bool bonds) {
bool realloc=false;
if (charge && _charge==false) {
@ -167,7 +165,7 @@ bool PairGPUAtomT::add_fields(const bool charge, const bool rot,
}
template <class numtyp, class acctyp>
bool PairGPUAtomT::init(const int nall, const bool charge, const bool rot,
bool AtomT::init(const int nall, const bool charge, const bool rot,
UCL_Device &devi, const bool gpu_nbor,
const bool bonds) {
clear();
@ -206,7 +204,7 @@ bool PairGPUAtomT::init(const int nall, const bool charge, const bool rot,
}
template <class numtyp, class acctyp>
void PairGPUAtomT::clear_resize() {
void AtomT::clear_resize() {
if (!_allocated)
return;
_allocated=false;
@ -240,7 +238,7 @@ void PairGPUAtomT::clear_resize() {
}
template <class numtyp, class acctyp>
void PairGPUAtomT::clear() {
void AtomT::clear() {
_max_gpu_bytes=0;
if (!_allocated)
return;
@ -260,19 +258,19 @@ void PairGPUAtomT::clear() {
}
template <class numtyp, class acctyp>
double PairGPUAtomT::host_memory_usage() const {
double AtomT::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>);
sizeof(Atom<numtyp,acctyp>);
}
// Sort arrays for neighbor list calculation
template <class numtyp, class acctyp>
void PairGPUAtomT::sort_neighbor(const int num_atoms) {
void AtomT::sort_neighbor(const int num_atoms) {
#ifndef USE_OPENCL
CUDPPResult result = cudppSort(sort_plan, (unsigned *)dev_cell_id.begin(),
(int *)dev_particle_id.begin(),
@ -292,7 +290,7 @@ void PairGPUAtomT::sort_neighbor(const int num_atoms) {
#endif
template <class numtyp, class acctyp>
void PairGPUAtomT::compile_kernels(UCL_Device &dev) {
void AtomT::compile_kernels(UCL_Device &dev) {
atom_program=new UCL_Program(dev);
atom_program->load_string(atom,"");
k_cast_x.set_function(*atom_program,"kernel_cast_x");
@ -301,4 +299,4 @@ void PairGPUAtomT::compile_kernels(UCL_Device &dev) {
#endif
template class PairGPUAtom<PRECISION,ACC_PRECISION>;
template class Atom<PRECISION,ACC_PRECISION>;