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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
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66
lib/gpu/base_atomic.cpp
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@ -1,46 +1,44 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
/***************************************************************************
base_atomic.h
-------------------
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.
Base class for pair styles with per-particle data for position and type
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 "base_atomic.h"
#define AtomicGPUMemoryT AtomicGPUMemory<numtyp, acctyp>
#define BaseAtomicT BaseAtomic<numtyp, acctyp>
extern PairGPUDevice<PRECISION,ACC_PRECISION> pair_gpu_device;
extern Device<PRECISION,ACC_PRECISION> global_device;
template <class numtyp, class acctyp>
AtomicGPUMemoryT::AtomicGPUMemory() : _compiled(false), _max_bytes(0) {
device=&pair_gpu_device;
ans=new PairGPUAns<numtyp,acctyp>();
nbor=new PairGPUNbor();
BaseAtomicT::BaseAtomic() : _compiled(false), _max_bytes(0) {
device=&global_device;
ans=new Answer<numtyp,acctyp>();
nbor=new Neighbor();
}
template <class numtyp, class acctyp>
AtomicGPUMemoryT::~AtomicGPUMemory() {
BaseAtomicT::~BaseAtomic() {
delete ans;
delete nbor;
}
template <class numtyp, class acctyp>
int AtomicGPUMemoryT::bytes_per_atom_atomic(const int max_nbors) const {
int BaseAtomicT::bytes_per_atom_atomic(const int max_nbors) const {
return device->atom.bytes_per_atom()+ans->bytes_per_atom()+
nbor->bytes_per_atom(max_nbors);
}
template <class numtyp, class acctyp>
int AtomicGPUMemoryT::init_atomic(const int nlocal, const int nall,
int BaseAtomicT::init_atomic(const int nlocal, const int nall,
const int max_nbors, const int maxspecial,
const double cell_size,
const double gpu_split, FILE *_screen,
@ -49,7 +47,7 @@ int AtomicGPUMemoryT::init_atomic(const int nlocal, const int nall,
screen=_screen;
bool gpu_nbor=false;
if (device->gpu_mode()==PairGPUDevice<numtyp,acctyp>::GPU_NEIGH)
if (device->gpu_mode()==Device<numtyp,acctyp>::GPU_NEIGH)
gpu_nbor=true;
int _gpu_host=0;
@ -90,12 +88,12 @@ int AtomicGPUMemoryT::init_atomic(const int nlocal, const int nall,
}
template <class numtyp, class acctyp>
void AtomicGPUMemoryT::estimate_gpu_overhead() {
void BaseAtomicT::estimate_gpu_overhead() {
device->estimate_gpu_overhead(1,_gpu_overhead,_driver_overhead);
}
template <class numtyp, class acctyp>
void AtomicGPUMemoryT::clear_atomic() {
void BaseAtomicT::clear_atomic() {
// Output any timing information
acc_timers();
double avg_split=hd_balancer.all_avg_split();
@ -123,7 +121,7 @@ void AtomicGPUMemoryT::clear_atomic() {
// Copy neighbor list from host
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int * AtomicGPUMemoryT::reset_nbors(const int nall, const int inum, int *ilist,
int * BaseAtomicT::reset_nbors(const int nall, const int inum, int *ilist,
int *numj, int **firstneigh, bool &success) {
success=true;
@ -147,7 +145,7 @@ int * AtomicGPUMemoryT::reset_nbors(const int nall, const int inum, int *ilist,
// Build neighbor list on device
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
inline void AtomicGPUMemoryT::build_nbor_list(const int inum,
inline void BaseAtomicT::build_nbor_list(const int inum,
const int host_inum,
const int nall, double **host_x,
int *host_type, double *sublo,
@ -176,7 +174,7 @@ inline void AtomicGPUMemoryT::build_nbor_list(const int inum,
// Copy nbor list from host if necessary and then calculate forces, virials,..
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
void AtomicGPUMemoryT::compute(const int f_ago, const int inum_full,
void BaseAtomicT::compute(const int f_ago, const int inum_full,
const int nall, double **host_x, int *host_type,
int *ilist, int *numj, int **firstneigh,
const bool eflag, const bool vflag,
@ -217,7 +215,7 @@ void AtomicGPUMemoryT::compute(const int f_ago, const int inum_full,
// Reneighbor on GPU if necessary and then compute forces, virials, energies
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int ** AtomicGPUMemoryT::compute(const int ago, const int inum_full,
int ** BaseAtomicT::compute(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
double *sublo, double *subhi, int *tag,
int **nspecial, int **special, const bool eflag,
@ -263,13 +261,13 @@ int ** AtomicGPUMemoryT::compute(const int ago, const int inum_full,
}
template <class numtyp, class acctyp>
double AtomicGPUMemoryT::host_memory_usage_atomic() const {
double BaseAtomicT::host_memory_usage_atomic() const {
return device->atom.host_memory_usage()+nbor->host_memory_usage()+
4*sizeof(numtyp)+sizeof(AtomicGPUMemory<numtyp,acctyp>);
4*sizeof(numtyp)+sizeof(BaseAtomic<numtyp,acctyp>);
}
template <class numtyp, class acctyp>
void AtomicGPUMemoryT::compile_kernels(UCL_Device &dev, const char *pair_str) {
void BaseAtomicT::compile_kernels(UCL_Device &dev, const char *pair_str) {
if (_compiled)
return;
@ -285,5 +283,5 @@ void AtomicGPUMemoryT::compile_kernels(UCL_Device &dev, const char *pair_str) {
_compiled=true;
}
template class AtomicGPUMemory<PRECISION,ACC_PRECISION>;
template class BaseAtomic<PRECISION,ACC_PRECISION>;