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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8693 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-08-21 13:57:32 +00:00
parent 9a99e27552
commit 31551d81fd
85 changed files with 2630 additions and 2172 deletions
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113
lib/gpu/lal_eam.cpp
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@ -13,10 +13,12 @@
email : brownw@ornl.gov nguyentd@ornl.gov
***************************************************************************/
#ifdef USE_OPENCL
#if defined(USE_OPENCL)
#include "eam_cl.h"
#elif defined(USE_CUDART)
const char *eam=0;
#else
#include "eam_ptx.h"
#include "eam_cubin.h"
#endif
#include "lal_eam.h"
@ -51,32 +53,24 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
{
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,
gpu_split,_screen,eam);
gpu_split,_screen,eam,"k_eam");
if (success!=0)
return success;
// allocate fp
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_fp_size=static_cast<int>(static_cast<double>(ef_nall)*1.10);
host_fp.alloc(_max_fp_size,*(this->ucl_device));
if (cpuview)
dev_fp.view(host_fp);
else
dev_fp.alloc(_max_fp_size,*(this->ucl_device),UCL_WRITE_ONLY);
_fp.alloc(_max_fp_size,*(this->ucl_device),UCL_RW_OPTIMIZED,UCL_WRITE_ONLY);
k_energy.set_function(*(this->pair_program),"kernel_energy");
k_energy_fast.set_function(*(this->pair_program),"kernel_energy_fast");
k_energy.set_function(*(this->pair_program),"k_energy");
k_energy_fast.set_function(*(this->pair_program),"k_energy_fast");
fp_tex.get_texture(*(this->pair_program),"fp_tex");
fp_tex.bind_float(dev_fp,1);
fp_tex.bind_float(_fp,1);
_compiled_energy = true;
// Initialize timers for selected GPU
@ -236,7 +230,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
+ frho_spline2.row_bytes()
+ z2r_spline1.row_bytes()
+ z2r_spline2.row_bytes()
+ dev_fp.row_bytes();
+ _fp.device.row_bytes();
return 0;
}
@ -255,8 +249,7 @@ void EAMT::clear() {
z2r_spline1.clear();
z2r_spline2.clear();
host_fp.clear();
dev_fp.clear();
_fp.clear();
time_pair2.clear();
time_fp1.clear();
@ -303,19 +296,11 @@ void EAMT::compute(const int f_ago, const int inum_full, const int nlocal,
// ------------------- Resize FP Array for EAM --------------------
if (nall>_max_fp_size) {
dev_fp.clear();
host_fp.clear();
_max_fp_size=static_cast<int>(static_cast<double>(nall)*1.10);
host_fp.alloc(_max_fp_size,*(this->ucl_device));
if (this->ucl_device->device_type()==UCL_CPU)
dev_fp.view(host_fp);
else
dev_fp.alloc(_max_fp_size,*(this->ucl_device));
fp_tex.bind_float(dev_fp,1);
_fp.resize(_max_fp_size);
fp_tex.bind_float(_fp,1);
}
*fp_ptr=host_fp.begin();
*fp_ptr=_fp.host.begin();
// ----------------------------------------------------------------
@ -348,7 +333,7 @@ void EAMT::compute(const int f_ago, const int inum_full, const int nlocal,
// copy fp from device to host for comm
_nlocal=nlocal;
time_fp1.start();
ucl_copy(host_fp,dev_fp,nlocal,true);
_fp.update_host(nlocal,true);
time_fp1.stop();
time_fp1.sync_stop();
}
@ -380,19 +365,11 @@ int** EAMT::compute(const int ago, const int inum_full, const int nall,
// ------------------- Resize FP Array for EAM --------------------
if (nall>_max_fp_size) {
dev_fp.clear();
host_fp.clear();
_max_fp_size=static_cast<int>(static_cast<double>(nall)*1.10);
host_fp.alloc(_max_fp_size,*(this->ucl_device));
if (this->ucl_device->device_type()==UCL_CPU)
dev_fp.view(host_fp);
else
dev_fp.alloc(_max_fp_size,*(this->ucl_device));
fp_tex.bind_float(dev_fp,1);
_fp.resize(_max_fp_size);
fp_tex.bind_float(_fp,1);
}
*fp_ptr=host_fp.begin();
*fp_ptr=_fp.host.begin();
// -----------------------------------------------------------------
@ -428,7 +405,7 @@ int** EAMT::compute(const int ago, const int inum_full, const int nall,
// copy fp from device to host for comm
_nlocal=inum_full;
time_fp1.start();
ucl_copy(host_fp,dev_fp,inum_full,true);
_fp.update_host(inum_full,true);
time_fp1.stop();
time_fp1.sync_stop();
@ -486,22 +463,18 @@ void EAMT::loop(const bool _eflag, const bool _vflag) {
if (shared_types) {
this->k_energy_fast.set_size(GX,BX);
this->k_energy_fast.run(&this->atom->dev_x.begin(), &type2rhor_z2r.begin(),
&type2frho.begin(), &rhor_spline2.begin(),
&frho_spline1.begin(),&frho_spline2.begin(),
&this->nbor->dev_nbor.begin(),
&this->_nbor_data->begin(), &dev_fp.begin(),
&this->ans->dev_engv.begin(), &eflag, &ainum,
this->k_energy_fast.run(&this->atom->x, &type2rhor_z2r, &type2frho,
&rhor_spline2, &frho_spline1,&frho_spline2,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&_fp, &this->ans->engv, &eflag, &ainum,
&nbor_pitch, &_ntypes, &_cutforcesq, &_rdr, &_rdrho,
&_nrho, &_nr, &this->_threads_per_atom);
} else {
this->k_energy.set_size(GX,BX);
this->k_energy.run(&this->atom->dev_x.begin(), &type2rhor_z2r.begin(),
&type2frho.begin(), &rhor_spline2.begin(),
&frho_spline1.begin(),&frho_spline2.begin(),
&this->nbor->dev_nbor.begin(),
&this->_nbor_data->begin(), &dev_fp.begin(),
&this->ans->dev_engv.begin(),&eflag, &ainum, &nbor_pitch,
this->k_energy.run(&this->atom->x, &type2rhor_z2r, &type2frho,
&rhor_spline2, &frho_spline1, &frho_spline2,
&this->nbor->dev_nbor, &this->_nbor_data->begin(), &_fp,
&this->ans->engv,&eflag, &ainum, &nbor_pitch,
&_ntypes, &_cutforcesq, &_rdr, &_rdrho, &_nrho, &_nr,
&this->_threads_per_atom);
}
@ -536,28 +509,20 @@ void EAMT::loop2(const bool _eflag, const bool _vflag) {
if (shared_types) {
this->k_pair_fast.set_size(GX,BX);
this->k_pair_fast.run(&this->atom->dev_x.begin(), &dev_fp.begin(),
&type2rhor_z2r.begin(),
&rhor_spline1.begin(),
&z2r_spline1.begin(),
&z2r_spline2.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, &_cutforcesq, &_rdr, &_nr,
&this->_threads_per_atom);
this->k_pair_fast.run(&this->atom->x, &_fp, &type2rhor_z2r,
&rhor_spline1, &z2r_spline1, &z2r_spline2,
&this->nbor->dev_nbor, &this->_nbor_data->begin(),
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch, &_cutforcesq, &_rdr,
&_nr, &this->_threads_per_atom);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->dev_x.begin(), &dev_fp.begin(),
&type2rhor_z2r.begin(),
&rhor_spline1.begin(),
&z2r_spline1.begin(),
&z2r_spline2.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, &_ntypes, &_cutforcesq, &_rdr, &_nr,
&this->_threads_per_atom);
this->k_pair.run(&this->atom->x, &_fp, &type2rhor_z2r, &rhor_spline1,
&z2r_spline1, &z2r_spline2, &this->nbor->dev_nbor,
&this->_nbor_data->begin(), &this->ans->force,
&this->ans->engv, &eflag, &vflag, &ainum, &nbor_pitch,
&_ntypes, &_cutforcesq, &_rdr, &_nr,
&this->_threads_per_atom);
}
this->time_pair2.stop();