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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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16
lib/gpu/lal_lj_class2_long.cpp
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@ -38,7 +38,7 @@ template <class numtyp, class acctyp>
LJClass2LongT::~LJClass2Long() {
clear();
}
template <class numtyp, class acctyp>
int LJClass2LongT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
@ -46,8 +46,8 @@ int LJClass2LongT::bytes_per_atom(const int max_nbors) const {
template <class numtyp, class acctyp>
int LJClass2LongT::init(const int ntypes, double **host_cutsq,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
double *host_special_lj, const int nlocal,
const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
@ -80,11 +80,11 @@ int LJClass2LongT::init(const int ntypes, double **host_cutsq,
lj1.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2,
host_cutsq, host_cut_ljsq);
host_cutsq, host_cut_ljsq);
lj3.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4,
host_offset);
host_offset);
sp_lj.alloc(8,*(this->ucl_device),UCL_READ_ONLY);
for (int i=0; i<4; i++) {
@ -136,7 +136,7 @@ void LJClass2LongT::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)));
@ -145,11 +145,11 @@ void LJClass2LongT::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->x, &lj1, &lj3, &sp_lj,
this->k_pair_fast.run(&this->atom->x, &lj1, &lj3, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch, &this->atom->q,
&_cut_coulsq, &_qqrd2e, &_g_ewald,
&_cut_coulsq, &_qqrd2e, &_g_ewald,
&this->_threads_per_atom);
} else {
this->k_pair.set_size(GX,BX);