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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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133
lib/gpu/lal_table.cpp
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@ -13,10 +13,12 @@
email : nguyentd@ornl.gov
***************************************************************************/
#ifdef USE_OPENCL
#if defined(USE_OPENCL)
#include "table_cl.h"
#elif defined(USE_CUDART)
const char *table=0;
#else
#include "table_ptx.h"
#include "table_cubin.h"
#endif
#include "lal_table.h"
@ -56,17 +58,17 @@ int TableT::init(const int ntypes,
const double gpu_split, FILE *_screen,
int tabstyle, int ntables, int tablength) {
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split,
_screen,table);
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,
gpu_split,_screen,table,"k_table");
if (success!=0)
return success;
k_pair_linear.set_function(*(this->pair_program),"kernel_pair_linear");
k_pair_linear_fast.set_function(*(this->pair_program),"kernel_pair_linear_fast");
k_pair_spline.set_function(*(this->pair_program),"kernel_pair_spline");
k_pair_spline_fast.set_function(*(this->pair_program),"kernel_pair_spline_fast");
k_pair_bitmap.set_function(*(this->pair_program),"kernel_pair_bitmap");
k_pair_bitmap_fast.set_function(*(this->pair_program),"kernel_pair_bitmap_fast");
k_pair_linear.set_function(*(this->pair_program),"k_table_linear");
k_pair_linear_fast.set_function(*(this->pair_program),"k_table_linear_fast");
k_pair_spline.set_function(*(this->pair_program),"k_table_spline");
k_pair_spline_fast.set_function(*(this->pair_program),"k_table_spline_fast");
k_pair_bitmap.set_function(*(this->pair_program),"k_table_bitmap");
k_pair_bitmap_fast.set_function(*(this->pair_program),"k_table_bitmap_fast");
_compiled_styles = true;
// If atom type constants fit in shared memory use fast kernel
@ -264,84 +266,71 @@ void TableT::loop(const bool _eflag, const bool _vflag) {
if (shared_types) {
if (_tabstyle == LOOKUP) {
this->k_pair_fast.set_size(GX,BX);
this->k_pair_fast.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(),
&coeff4.begin(), &cutsq.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->_threads_per_atom,
&_tablength);
this->k_pair_fast.run(&this->atom->x, &tabindex, &coeff2, &coeff3,
&coeff4, &cutsq, &sp_lj, &this->nbor->dev_nbor,
&this->_nbor_data->begin(), &this->ans->force,
&this->ans->engv, &eflag, &vflag, &ainum,
&nbor_pitch, &this->_threads_per_atom, &_tablength);
} else if (_tabstyle == LINEAR) {
this->k_pair_linear_fast.set_size(GX,BX);
this->k_pair_linear_fast.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(),
&coeff4.begin(), &cutsq.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->_threads_per_atom,
&_tablength);
this->k_pair_linear_fast.run(&this->atom->x, &tabindex, &coeff2,
&coeff3, &coeff4, &cutsq, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv,
&eflag, &vflag, &ainum, &nbor_pitch,
&this->_threads_per_atom, &_tablength);
} else if (_tabstyle == SPLINE) {
this->k_pair_spline_fast.set_size(GX,BX);
this->k_pair_spline_fast.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(),
&coeff4.begin(), &cutsq.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->_threads_per_atom,
&_tablength);
this->k_pair_spline_fast.run(&this->atom->x, &tabindex, &coeff2,
&coeff3, &coeff4, &cutsq, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv,
&eflag, &vflag, &ainum, &nbor_pitch,
&this->_threads_per_atom, &_tablength);
} else if (_tabstyle == BITMAP) {
this->k_pair_bitmap_fast.set_size(GX,BX);
this->k_pair_bitmap_fast.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&nshiftbits.begin(), &nmask.begin(),
&coeff2.begin(), &coeff3.begin(),
&coeff4.begin(), &cutsq.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->_threads_per_atom,
&_tablength);
this->k_pair_bitmap_fast.run(&this->atom->x, &tabindex, &nshiftbits,
&nmask, &coeff2, &coeff3, &coeff4, &cutsq,
&sp_lj, &this->nbor->dev_nbor,
&this->_nbor_data->begin(), &this->ans->force,
&this->ans->engv, &eflag, &vflag,
&ainum, &nbor_pitch,
&this->_threads_per_atom, &_tablength);
}
} else {
if (_tabstyle == LOOKUP) {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(), &coeff4.begin(), &_lj_types,
&cutsq.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->_threads_per_atom, &_tablength);
this->k_pair.run(&this->atom->x, &tabindex, &coeff2, &coeff3,
&coeff4, &_lj_types, &cutsq, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch, &this->_threads_per_atom,
&_tablength);
} else if (_tabstyle == LINEAR) {
this->k_pair_linear.set_size(GX,BX);
this->k_pair_linear.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(), &coeff4.begin(), &_lj_types,
&cutsq.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->_threads_per_atom, &_tablength);
this->k_pair_linear.run(&this->atom->x, &tabindex, &coeff2, &coeff3,
&coeff4, &_lj_types, &cutsq, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch,
&this->_threads_per_atom, &_tablength);
} else if (_tabstyle == SPLINE) {
this->k_pair_spline.set_size(GX,BX);
this->k_pair_spline.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&coeff2.begin(), &coeff3.begin(), &coeff4.begin(), &_lj_types,
&cutsq.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->_threads_per_atom, &_tablength);
this->k_pair_spline.run(&this->atom->x, &tabindex, &coeff2, &coeff3,
&coeff4, &_lj_types, &cutsq, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch,
&this->_threads_per_atom, &_tablength);
} else if (_tabstyle == BITMAP) {
this->k_pair_bitmap.set_size(GX,BX);
this->k_pair_bitmap.run(&this->atom->dev_x.begin(), &tabindex.begin(),
&nshiftbits.begin(), &nmask.begin(),
&coeff2.begin(), &coeff3.begin(), &coeff4.begin(), &_lj_types,
&cutsq.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->_threads_per_atom, &_tablength);
this->k_pair_bitmap.run(&this->atom->x, &tabindex, &nshiftbits,
&nmask, &coeff2, &coeff3, &coeff4, &_lj_types,
&cutsq, &sp_lj, &this->nbor->dev_nbor,
&this->_nbor_data->begin(), &this->ans->force,
&this->ans->engv, &eflag, &vflag, &ainum,
&nbor_pitch, &this->_threads_per_atom,
&_tablength);
}
}
this->time_pair.stop();