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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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83
lib/gpu/lal_pppm.cpp
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@ -13,11 +13,14 @@
email : brownw@ornl.gov
***************************************************************************/
#ifdef USE_OPENCL
#if defined(USE_OPENCL)
#include "pppm_cl.h"
#elif defined(USE_CUDART)
const char *pppm_f=0;
const char *pppm_d=0;
#else
#include "pppm_f_ptx.h"
#include "pppm_d_ptx.h"
#include "pppm_f_cubin.h"
#include "pppm_d_cubin.h"
#endif
#include "lal_pppm.h"
#include <cassert>
@ -51,7 +54,7 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
const int nylo_out, const int nzlo_out,
const int nxhi_out, const int nyhi_out,
const int nzhi_out, grdtyp **rho_coeff,
grdtyp **vd_brick, const double slab_volfactor,
grdtyp **vd_brick_p, const double slab_volfactor,
const int nx_pppm, const int ny_pppm,
const int nz_pppm, const bool split, int &flag) {
_max_bytes=10;
@ -92,8 +95,8 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
time_interp.init(*ucl_device);
time_interp.zero();
pos_tex.bind_float(atom->dev_x,4);
q_tex.bind_float(atom->dev_q,1);
pos_tex.bind_float(atom->x,4);
q_tex.bind_float(atom->q,1);
_allocated=true;
_max_bytes=0;
@ -133,14 +136,12 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
_npts_y=nyhi_out-nylo_out+1;
_npts_z=nzhi_out-nzlo_out+1;
_npts_yx=_npts_x*_npts_y;
success=success && (d_brick.alloc(_npts_x*_npts_y*_npts_z*4,*ucl_device)==
success=success && (brick.alloc(_npts_x*_npts_y*_npts_z,*ucl_device)==
UCL_SUCCESS);
success=success && (h_brick.alloc(_npts_x*_npts_y*_npts_z,*ucl_device)==
success=success && (vd_brick.alloc(_npts_x*_npts_y*_npts_z*4,*ucl_device)==
UCL_SUCCESS);
success=success && (h_vd_brick.alloc(_npts_x*_npts_y*_npts_z*4,*ucl_device)==
UCL_SUCCESS);
*vd_brick=h_vd_brick.begin();
_max_bytes+=d_brick.row_bytes();
*vd_brick_p=vd_brick.host.begin();
_max_bytes+=brick.device.row_bytes()+vd_brick.device.row_bytes();
// Allocate vector with count of atoms assigned to each grid point
_nlocal_x=_npts_x+_nlower-_nupper;
@ -158,20 +159,19 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
_max_bytes+=d_brick_atoms.row_bytes();
// Allocate error flags for checking out of bounds atoms
success=success && (h_error_flag.alloc(1,*ucl_device)==UCL_SUCCESS);
success=success && (d_error_flag.alloc(1,*ucl_device,UCL_WRITE_ONLY)==
UCL_SUCCESS);
success=success && (error_flag.alloc(1,*ucl_device,UCL_RW_OPTIMIZED,
UCL_WRITE_ONLY)==UCL_SUCCESS);
if (!success) {
flag=-3;
return 0;
}
d_error_flag.zero();
error_flag.device.zero();
_max_bytes+=1;
_cpu_idle_time=0.0;
return h_brick.begin();
return brick.host.begin();
}
template <class numtyp, class acctyp, class grdtyp, class grdtyp4>
@ -181,12 +181,10 @@ void PPPMT::clear(const double cpu_time) {
_allocated=false;
_precompute_done=false;
d_brick.clear();
h_brick.clear();
h_vd_brick.clear();
brick.clear();
vd_brick.clear();
d_brick_counts.clear();
h_error_flag.clear();
d_error_flag.clear();
error_flag.clear();
d_brick_atoms.clear();
acc_timers();
@ -269,11 +267,11 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
device->zero(d_brick_counts,d_brick_counts.numel());
k_particle_map.set_size(GX,BX);
k_particle_map.run(&atom->dev_x.begin(), &atom->dev_q.begin(), &f_delvolinv,
&ainum, &d_brick_counts.begin(), &d_brick_atoms.begin(),
&_brick_x, &_brick_y, &_brick_z, &_delxinv, &_delyinv,
&_delzinv, &_nlocal_x, &_nlocal_y, &_nlocal_z,
&_atom_stride, &_max_brick_atoms, &d_error_flag.begin());
k_particle_map.run(&atom->x, &atom->q, &f_delvolinv, &ainum,
&d_brick_counts, &d_brick_atoms, &_brick_x, &_brick_y,
&_brick_z, &_delxinv, &_delyinv, &_delzinv, &_nlocal_x,
&_nlocal_y, &_nlocal_z, &_atom_stride, &_max_brick_atoms,
&error_flag);
time_map.stop();
time_rho.start();
@ -282,15 +280,14 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
GX=static_cast<int>(ceil(static_cast<double>(_npts_y*_npts_z)/
_block_pencils));
k_make_rho.set_size(GX,BX);
k_make_rho.run(&d_brick_counts.begin(), &d_brick_atoms.begin(),
&d_brick.begin(), &d_rho_coeff.begin(), &_atom_stride,
&_npts_x, &_npts_y, &_npts_z, &_nlocal_x, &_nlocal_y,
&_nlocal_z, &_order_m_1, &_order, &_order2);
k_make_rho.run(&d_brick_counts, &d_brick_atoms, &brick, &d_rho_coeff,
&_atom_stride, &_npts_x, &_npts_y, &_npts_z, &_nlocal_x,
&_nlocal_y, &_nlocal_z, &_order_m_1, &_order, &_order2);
time_rho.stop();
time_out.start();
ucl_copy(h_brick,d_brick,_npts_yx*_npts_z,true);
ucl_copy(h_error_flag,d_error_flag,true);
brick.update_host(_npts_yx*_npts_z,true);
error_flag.update_host(true);
time_out.stop();
_precompute_done=true;
@ -322,18 +319,17 @@ int PPPMT::spread(const int ago, const int nlocal, const int nall,
_precompute_done=false;
if (h_error_flag[0]==2) {
if (error_flag[0]==2) {
// Not enough storage for atoms on the brick
_max_brick_atoms*=2;
d_error_flag.zero();
d_brick_atoms.clear();
d_brick_atoms.alloc(_atom_stride*_max_brick_atoms,*ucl_device);
error_flag.device.zero();
d_brick_atoms.resize(_atom_stride*_max_brick_atoms);
_max_bytes+=d_brick_atoms.row_bytes();
return spread(ago,nlocal,nall,host_x,host_type,success,host_q,boxlo,
delxinv,delyinv,delzinv);
}
return h_error_flag[0];
return error_flag[0];
}
// ---------------------------------------------------------------------------
@ -342,7 +338,7 @@ int PPPMT::spread(const int ago, const int nlocal, const int nall,
template <class numtyp, class acctyp, class grdtyp, class grdtyp4>
void PPPMT::interp(const grdtyp qqrd2e_scale) {
time_in.start();
ucl_copy(d_brick,h_vd_brick,true);
vd_brick.update_device(true);
time_in.stop();
time_interp.start();
@ -353,10 +349,10 @@ void PPPMT::interp(const grdtyp qqrd2e_scale) {
int ainum=this->ans->inum();
k_interp.set_size(GX,BX);
k_interp.run(&atom->dev_x.begin(), &atom->dev_q.begin(), &ainum,
&d_brick.begin(), &d_rho_coeff.begin(), &_npts_x, &_npts_yx,
&_brick_x, &_brick_y, &_brick_z, &_delxinv, &_delyinv, &_delzinv,
&_order, &_order2, &qqrd2e_scale, &ans->dev_ans.begin());
k_interp.run(&atom->x, &atom->q, &ainum, &vd_brick, &d_rho_coeff,
&_npts_x, &_npts_yx, &_brick_x, &_brick_y, &_brick_z, &_delxinv,
&_delyinv, &_delzinv, &_order, &_order2, &qqrd2e_scale,
&ans->force);
time_interp.stop();
ans->copy_answers(false,false,false,false);
@ -408,4 +404,3 @@ void PPPMT::compile_kernels(UCL_Device &dev) {
template class PPPM<PRECISION,ACC_PRECISION,float,_lgpu_float4>;
template class PPPM<PRECISION,ACC_PRECISION,double,_lgpu_double4>;