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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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29
lib/gpu/lal_yukawa.cpp
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@ -13,10 +13,12 @@
email : nguyentd@ornl.gov
***************************************************************************/
#ifdef USE_OPENCL
#if defined(USE_OPENCL)
#include "yukawa_cl.h"
#elif defined(USE_CUDART)
const char *yukawa=0;
#else
#include "yukawa_ptx.h"
#include "yukawa_cubin.h"
#endif
#include "lal_yukawa.h"
@ -50,7 +52,7 @@ int YukawaT::init(const int ntypes,
const double gpu_split, FILE *_screen) {
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split,
_screen,yukawa);
_screen,yukawa,"k_yukawa");
if (success!=0)
return success;
@ -129,20 +131,17 @@ void YukawaT::loop(const bool _eflag, const bool _vflag) {
this->time_pair.start();
if (shared_types) {
this->k_pair_fast.set_size(GX,BX);
this->k_pair_fast.run(&this->atom->dev_x.begin(), &coeff.begin(), &_kappa,
&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);
this->k_pair_fast.run(&this->atom->x, &coeff, &_kappa, &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);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->dev_x.begin(), &coeff.begin(), &_kappa,
&_lj_types, &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);
this->k_pair.run(&this->atom->x, &coeff, &_kappa, &_lj_types, &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);
}
this->time_pair.stop();
}