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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8693 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-08-21 13:57:32 +00:00
parent 9a99e27552
commit 31551d81fd
85 changed files with 2630 additions and 2172 deletions
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225
lib/gpu/lal_atom.cpp
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@ -51,10 +51,14 @@ bool AtomT::alloc(const int nall) {
bool success=true;
// Ignore host/device transfers?
bool cpuview=false;
if (dev->device_type()==UCL_CPU)
cpuview=true;
_host_view=false;
if (dev->shared_memory()) {
_host_view=true;
#ifdef GPU_CAST
assert(0==1);
#endif
}
// Allocate storage for CUDPP sort
#ifdef USE_CUDPP
if (_gpu_nbor==1) {
@ -64,63 +68,101 @@ bool AtomT::alloc(const int nall) {
}
#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();
success=success && (x.alloc(_max_atoms*4,*dev,UCL_WRITE_OPTIMIZED,
UCL_READ_ONLY)==UCL_SUCCESS);
#ifdef GPU_CAST
success=success && (x_cast.alloc(_max_atoms*3,*dev,UCL_READ_ONLY)==
UCL_SUCCESS);
success=success && (type_cast.alloc(_max_atoms,*dev,UCL_READ_ONLY)==
UCL_SUCCESS);
gpu_bytes+=x_cast.device.row_bytes()+type_cast.device.row_bytes();
#endif
if (_charge && _host_view==false) {
success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_OPTIMIZED,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=q.device.row_bytes();
}
if (_rot && _host_view==false) {
success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_OPTIMIZED,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=quat.device.row_bytes();
}
if (_gpu_nbor>0) {
if (_bonds) {
success=success && (dev_tag.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_tag.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==1) {
success=success && (dev_cell_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_cell_id.row_bytes();
} else {
success=success && (host_particle_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
success=success &&
(host_cell_id.alloc(_max_atoms,*dev,UCL_NOT_PINNED)==UCL_SUCCESS);
}
if (_gpu_nbor==2 && _host_view)
dev_particle_id.view(host_particle_id);
else
success=success && (dev_particle_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_particle_id.row_bytes();
}
gpu_bytes+=x.device.row_bytes();
if (gpu_bytes>_max_gpu_bytes)
_max_gpu_bytes=gpu_bytes;
_allocated=true;
return success;
}
template <class numtyp, class acctyp>
bool AtomT::add_fields(const bool charge, const bool rot,
const int gpu_nbor, const bool bonds) {
bool success=true;
// Ignore host/device transfers?
int gpu_bytes=0;
if (charge && _charge==false) {
_charge=true;
_other=true;
if (_host_view==false) {
success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_OPTIMIZED,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=q.device.row_bytes();
}
}
if (_gpu_nbor>0) {
if (rot && _rot==false) {
_rot=true;
_other=true;
if (_host_view==false) {
success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_OPTIMIZED,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=quat.device.row_bytes();
}
}
if (bonds && _bonds==false) {
_bonds=true;
if (_bonds && _gpu_nbor>0) {
success=success && (dev_tag.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_tag.row_bytes();
}
}
if (gpu_nbor>0 && _gpu_nbor==0) {
_gpu_nbor=gpu_nbor;
#ifdef USE_CUDPP
if (_gpu_nbor==1) {
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
if (CUDPP_SUCCESS != result)
return false;
}
#endif
success=success && (dev_particle_id.alloc(_max_atoms,*dev)==UCL_SUCCESS);
gpu_bytes+=dev_particle_id.row_bytes();
if (_bonds) {
@ -137,43 +179,9 @@ bool AtomT::alloc(const int nall) {
}
}
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 AtomT::add_fields(const bool charge, const bool rot,
const int 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>0 && _gpu_nbor==0) {
_gpu_nbor=gpu_nbor;
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 AtomT::init(const int nall, const bool charge, const bool rot,
UCL_Device &devi, const int gpu_nbor, const bool bonds) {
@ -219,27 +227,18 @@ void AtomT::clear_resize() {
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
x.clear();
if (_charge)
q.clear();
if (_rot)
quat.clear();
dev_cell_id.clear();
dev_particle_id.clear();
dev_tag.clear();
#ifdef GPU_CAST
dev_x_cast.clear();
dev_type_cast.clear();
x_cast.clear();
type_cast.clear();
#endif
#ifdef USE_CUDPP
@ -279,8 +278,7 @@ double AtomT::host_memory_usage() const {
atom_bytes+=1;
if (_rot)
atom_bytes+=4;
return _max_atoms*atom_bytes*sizeof(numtyp)+
sizeof(Atom<numtyp,acctyp>);
return _max_atoms*atom_bytes*sizeof(numtyp)+sizeof(Atom<numtyp,acctyp>);
}
// Sort arrays for neighbor list calculation
@ -292,16 +290,18 @@ void AtomT::sort_neighbor(const int num_atoms) {
8*sizeof(unsigned), num_atoms);
if (CUDPP_SUCCESS != result) {
printf("Error in cudppSort\n");
NVD_GERYON_EXIT;
UCL_GERYON_EXIT;
}
#endif
}
#ifdef GPU_CAST
#ifdef USE_OPENCL
#if defined(USE_OPENCL)
#include "atom_cl.h"
#elif defined(USE_CUDART)
const char *atom=0;
#else
#include "atom_ptx.h"
#include "atom_cubin.h"
#endif
template <class numtyp, class acctyp>
@ -316,3 +316,4 @@ void AtomT::compile_kernels(UCL_Device &dev) {
#endif
template class Atom<PRECISION,ACC_PRECISION>;