ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

16
lib/gpu/lal_coul_debye.cpp
View File

@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : ndtrung@umich.edu
***************************************************************************/
@ -37,7 +37,7 @@ template <class numtyp, class acctyp>
CoulDebyeT::~CoulDebye() {
clear();
}
template <class numtyp, class acctyp>
int CoulDebyeT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
@ -87,7 +87,7 @@ int CoulDebyeT::init(const int ntypes, double **host_scale,
_qqrd2e=qqrd2e;
_kappa=kappa;
_allocated=true;
this->_max_bytes=cutsq.row_bytes()+scale.row_bytes()+sp_cl.row_bytes();
return 0;
@ -98,10 +98,10 @@ void CoulDebyeT::reinit(const int ntypes, double **host_scale) {
// Allocate a host write buffer for data initialization
UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device),
UCL_WRITE_ONLY);
for (int i=0; i<_lj_types*_lj_types; i++)
host_write[i]=0.0;
this->atom->type_pack1(ntypes,_lj_types,scale,host_write,host_scale);
}
@ -139,7 +139,7 @@ void CoulDebyeT::loop(const bool _eflag, const bool _vflag) {
vflag=1;
else
vflag=0;
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));
@ -156,9 +156,9 @@ void CoulDebyeT::loop(const bool _eflag, const bool _vflag) {
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->x, &scale, &_lj_types, &sp_cl,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag, &vflag,
&ainum, &nbor_pitch, &this->atom->q, &cutsq,
&ainum, &nbor_pitch, &this->atom->q, &cutsq,
&_qqrd2e, &_kappa, &this->_threads_per_atom);
}
this->time_pair.stop();