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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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64
lib/gpu/lal_yukawa_colloid.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -29,23 +29,23 @@ using namespace LAMMPS_AL;
extern Device<PRECISION,ACC_PRECISION> device;
template <class numtyp, class acctyp>
YukawaColloidT::YukawaColloid() : BaseAtomic<numtyp,acctyp>(),
YukawaColloidT::YukawaColloid() : BaseAtomic<numtyp,acctyp>(),
_max_rad_size(0), _allocated(false) {
}
template <class numtyp, class acctyp>
YukawaColloidT::~YukawaColloid() {
YukawaColloidT::~YukawaColloid() {
clear();
}
template <class numtyp, class acctyp>
int YukawaColloidT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
}
template <class numtyp, class acctyp>
int YukawaColloidT::init(const int ntypes,
double **host_cutsq, double **host_a,
int YukawaColloidT::init(const int ntypes,
double **host_cutsq, double **host_a,
double **host_offset, double *host_special_lj, const int nlocal,
const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
@ -62,16 +62,16 @@ int YukawaColloidT::init(const int ntypes,
_shared_view=false;
// allocate rad
int ef_nall=nall;
if (ef_nall==0)
ef_nall=2000;
_max_rad_size=static_cast<int>(static_cast<double>(ef_nall)*1.10);
if (_shared_view==false)
c_rad.alloc(_max_rad_size,*(this->ucl_device),UCL_WRITE_ONLY,UCL_READ_ONLY);
rad_tex.get_texture(*(this->pair_program),"rad_tex");
rad_tex.bind_float(c_rad,1);
@ -96,13 +96,13 @@ int YukawaColloidT::init(const int ntypes,
coeff.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,coeff,host_write,host_a,
host_offset,host_cutsq);
host_offset,host_cutsq);
UCL_H_Vec<double> dview;
sp_lj.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
dview.view(host_special_lj,4,*(this->ucl_device));
ucl_copy(sp_lj,dview,false);
_allocated=true;
this->_max_bytes=coeff.row_bytes()+sp_lj.row_bytes();
return 0;
@ -131,15 +131,15 @@ double YukawaColloidT::host_memory_usage() const {
// Copy nbor list from host if necessary and then compute atom energies/forces
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
void YukawaColloidT::compute(const int f_ago, const int inum_full,
const int nall, double **host_x, int *host_type, int *ilist,
void YukawaColloidT::compute(const int f_ago, const int inum_full,
const int nall, double **host_x, int *host_type, int *ilist,
int *numj, int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, double *rad) {
this->acc_timers();
// ------------------- Resize rad array --------------------------
if (nall>_max_rad_size) {
_max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
if (_shared_view==false) {
@ -157,7 +157,7 @@ void YukawaColloidT::compute(const int f_ago, const int inum_full,
this->zero_timers();
return;
}
int ago=this->hd_balancer.ago_first(f_ago);
int inum=this->hd_balancer.balance(ago,inum_full,cpu_time);
this->ans->inum(inum);
@ -170,7 +170,7 @@ void YukawaColloidT::compute(const int f_ago, const int inum_full,
if (!success)
return;
}
this->atom->cast_x_data(host_x,host_type);
this->cast_rad_data(rad);
this->hd_balancer.start_timer();
@ -182,7 +182,7 @@ void YukawaColloidT::compute(const int f_ago, const int inum_full,
this->device->add_ans_object(this->ans);
this->hd_balancer.stop_timer();
}
// ---------------------------------------------------------------------------
// Reneighbor on GPU and then compute per-atom densities
// ---------------------------------------------------------------------------
@ -190,24 +190,24 @@ template <class numtyp, class acctyp>
int** YukawaColloidT::compute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, double *sublo,
double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time, bool &success,
double *rad) {
this->acc_timers();
// ------------------- Resize rad array ----------------------------
if (nall>_max_rad_size) {
_max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
if (_shared_view==false) {
c_rad.resize(_max_rad_size);
rad_tex.bind_float(c_rad,1);
}
}
}
// -----------------------------------------------------------------
if (inum_full==0) {
host_start=0;
// Make sure textures are correct if realloc by a different hybrid style
@ -215,21 +215,21 @@ int** YukawaColloidT::compute(const int ago, const int inum_full, const int nall
this->zero_timers();
return NULL;
}
// load balance, returning the atom count on the device (inum)
this->hd_balancer.balance(cpu_time);
int inum=this->hd_balancer.get_gpu_count(ago,inum_full);
this->ans->inum(inum);
host_start=inum;
// Build neighbor list on GPU if necessary
// Build neighbor list on GPU if necessary
if (ago==0) {
this->build_nbor_list(inum, inum_full-inum, nall, host_x, host_type,
sublo, subhi, tag, nspecial, special, success);
if (!success)
return NULL;
this->cast_rad_data(rad);
this->hd_balancer.start_timer();
this->hd_balancer.start_timer();
} else {
this->atom->cast_x_data(host_x,host_type);
this->cast_rad_data(rad);
@ -265,7 +265,7 @@ void YukawaColloidT::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)));
@ -280,8 +280,8 @@ void YukawaColloidT::loop(const bool _eflag, const bool _vflag) {
&ainum, &nbor_pitch, &this->_threads_per_atom, &_kappa);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->x, &c_rad, &coeff, &_lj_types, &sp_lj,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
this->k_pair.run(&this->atom->x, &c_rad, &coeff, &_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, &_kappa);
}