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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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46
lib/gpu/lal_atom.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : brownw@ornl.gov
***************************************************************************/
@ -30,7 +30,7 @@ AtomT::Atom() : _compiled(false),_allocated(false),
}
template <class numtyp, class acctyp>
int AtomT::bytes_per_atom() const {
int AtomT::bytes_per_atom() const {
int id_space=0;
if (_gpu_nbor==1)
id_space=2;
@ -51,7 +51,7 @@ bool AtomT::alloc(const int nall) {
_max_atoms=static_cast<int>(static_cast<double>(nall)*1.10);
bool success=true;
// Ignore host/device transfers?
_host_view=false;
if (dev->shared_memory() && sizeof(numtyp)==sizeof(double)) {
@ -60,11 +60,11 @@ bool AtomT::alloc(const int nall) {
assert(0==1);
#endif
}
// Allocate storage for CUDPP sort
#ifdef USE_CUDPP
if (_gpu_nbor==1) {
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
if (CUDPP_SUCCESS != result)
return false;
}
@ -110,7 +110,7 @@ bool AtomT::alloc(const int nall) {
} else {
success=success && (host_particle_id.alloc(_max_atoms,*dev,
UCL_WRITE_ONLY)==UCL_SUCCESS);
success=success &&
success=success &&
(host_cell_id.alloc(_max_atoms,*dev,UCL_NOT_PINNED)==UCL_SUCCESS);
}
if (_gpu_nbor==2 && _host_view)
@ -124,8 +124,8 @@ bool AtomT::alloc(const int nall) {
gpu_bytes+=x.device.row_bytes();
if (gpu_bytes>_max_gpu_bytes)
_max_gpu_bytes=gpu_bytes;
_allocated=true;
_allocated=true;
return success;
}
@ -135,7 +135,7 @@ bool AtomT::add_fields(const bool charge, const bool rot,
bool success=true;
// Ignore host/device transfers?
int gpu_bytes=0;
if (charge && _charge==false) {
_charge=true;
_other=true;
@ -179,7 +179,7 @@ bool AtomT::add_fields(const bool charge, const bool rot,
_gpu_nbor=gpu_nbor;
#ifdef USE_CUDPP
if (_gpu_nbor==1) {
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0);
if (CUDPP_SUCCESS != result)
return false;
}
@ -198,9 +198,9 @@ bool AtomT::add_fields(const bool charge, const bool rot,
} else {
success=success && (host_particle_id.alloc(_max_atoms,*dev,
UCL_WRITE_ONLY)==UCL_SUCCESS);
success=success &&
success=success &&
(host_cell_id.alloc(_max_atoms,*dev,UCL_NOT_PINNED)==UCL_SUCCESS);
}
}
}
return success;
@ -230,7 +230,7 @@ bool AtomT::init(const int nall, const bool charge, const bool rot,
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);
@ -241,14 +241,14 @@ bool AtomT::init(const int nall, const bool charge, const bool rot,
time_quat.zero();
time_vel.zero();
_time_cast=0.0;
#ifdef GPU_CAST
compile_kernels(*dev);
#endif
return success && alloc(ef_nall);
}
template <class numtyp, class acctyp>
void AtomT::clear_resize() {
if (!_allocated)
@ -274,7 +274,7 @@ void AtomT::clear_resize() {
#ifdef USE_CUDPP
if (_gpu_nbor==1) cudppDestroyPlan(sort_plan);
#endif
if (_gpu_nbor==2) {
host_particle_id.clear();
host_cell_id.clear();
@ -305,21 +305,21 @@ void AtomT::clear() {
template <class numtyp, class acctyp>
double AtomT::host_memory_usage() const {
int atom_bytes=4;
if (_charge)
if (_charge)
atom_bytes+=1;
if (_rot)
if (_rot)
atom_bytes+=4;
if (_vel)
if (_vel)
atom_bytes+=4;
return _max_atoms*atom_bytes*sizeof(numtyp)+sizeof(Atom<numtyp,acctyp>);
}
// Sort arrays for neighbor list calculation
template <class numtyp, class acctyp>
void AtomT::sort_neighbor(const int num_atoms) {
#ifdef USE_CUDPP
CUDPPResult result = cudppSort(sort_plan, (unsigned *)dev_cell_id.begin(),
(int *)dev_particle_id.begin(),
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");