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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-02-01 16:07:44 +00:00
parent 7e11d0e7ba
commit 2c42373bc8
28 changed files with 300 additions and 206 deletions
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20
lib/gpu/lal_table.cpp
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@ -122,7 +122,7 @@ int TableT::init(const int ntypes,
host_write[ix*lj_types+iy].w = (numtyp)0.0;
}
ucl_copy(coeff2,host_write,false);
// Allocate tablength arrays
UCL_H_Vec<numtyp4> host_write2(_ntables*_tablength,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
@ -307,29 +307,29 @@ void TableT::loop(const bool _eflag, const bool _vflag) {
&this->ans->dev_engv.begin(), &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(), &cutsq.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.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);
} 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(), &cutsq.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.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);
} 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(), &cutsq.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.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);
@ -337,8 +337,8 @@ void TableT::loop(const bool _eflag, const bool _vflag) {
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(), &cutsq.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.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);