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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-08-23 14:41:20 +00:00
parent 4047288238
commit 402d1a8605
105 changed files with 2003 additions and 954 deletions
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62
lib/gpu/lal_yukawa_colloid.cpp
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@ -56,25 +56,24 @@ int YukawaColloidT::init(const int ntypes,
if (success!=0)
return success;
if (this->ucl_device->shared_memory() && sizeof(numtyp)==sizeof(double))
_shared_view=true;
else
_shared_view=false;
// allocate rad
bool cpuview=false;
if (this->ucl_device->device_type()==UCL_CPU)
cpuview=true;
int ef_nall=nall;
if (ef_nall==0)
ef_nall=2000;
_max_rad_size=static_cast<int>(static_cast<double>(ef_nall)*1.10);
host_rad.alloc(_max_rad_size,*(this->ucl_device));
if (cpuview)
dev_rad.view(host_rad);
else
dev_rad.alloc(_max_rad_size,*(this->ucl_device),UCL_WRITE_ONLY);
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(dev_rad,1);
rad_tex.bind_float(c_rad,1);
// If atom type constants fit in shared memory use fast kernel
int lj_types=ntypes;
@ -90,7 +89,7 @@ int YukawaColloidT::init(const int ntypes,
// Allocate a host write buffer for data initialization
UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int i=0; i<lj_types*lj_types*32; i++)
host_write[i]=(numtyp)0.0;
@ -118,8 +117,7 @@ void YukawaColloidT::clear() {
coeff.clear();
sp_lj.clear();
host_rad.clear();
dev_rad.clear();
c_rad.clear();
this->clear_atomic();
}
@ -143,22 +141,11 @@ void YukawaColloidT::compute(const int f_ago, const int inum_full,
// ------------------- Resize rad array --------------------------
if (nall>_max_rad_size) {
dev_rad.clear();
host_rad.clear();
_max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
host_rad.alloc(_max_rad_size,*(this->ucl_device));
if (this->ucl_device->device_type()==UCL_CPU) {
if (sizeof(numtyp)==sizeof(double)) {
host_rad.view((numtyp*)rad,nall,*(this->ucl_device));
dev_rad.view(host_rad);
}
} else {
dev_rad.alloc(_max_rad_size,*(this->ucl_device));
if (_shared_view==false) {
c_rad.resize(_max_rad_size);
rad_tex.bind_float(c_rad,1);
}
rad_tex.bind_float(dev_rad,1);
}
// ----------------------------------------------------------------
@ -212,22 +199,11 @@ int** YukawaColloidT::compute(const int ago, const int inum_full, const int nall
// ------------------- Resize rad array ----------------------------
if (nall>_max_rad_size) {
dev_rad.clear();
host_rad.clear();
_max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
host_rad.alloc(_max_rad_size,*(this->ucl_device));
if (this->ucl_device->device_type()==UCL_CPU) {
if (sizeof(numtyp)==sizeof(double)) {
host_rad.view((numtyp*)rad,nall,*(this->ucl_device));
dev_rad.view(host_rad);
}
} else {
dev_rad.alloc(_max_rad_size,*(this->ucl_device));
if (_shared_view==false) {
c_rad.resize(_max_rad_size);
rad_tex.bind_float(c_rad,1);
}
rad_tex.bind_float(dev_rad,1);
}
// -----------------------------------------------------------------
@ -298,13 +274,13 @@ void YukawaColloidT::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, &dev_rad, &coeff, &sp_lj,
this->k_pair_fast.run(&this->atom->x, &c_rad, &coeff, &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);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->x, &dev_rad, &coeff, &_lj_types, &sp_lj,
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);