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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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44
lib/gpu/lal_pppm.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : brownw@ornl.gov
***************************************************************************/
@ -54,7 +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_p, 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;
@ -101,7 +101,7 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
_allocated=true;
_max_bytes=0;
_max_an_bytes=ans->gpu_bytes();
_order=order;
_order_m_1=order-1;
_order2=_order_m_1*_order;
@ -130,7 +130,7 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
view.view(rho_coeff[0]+n2lo,numel,*ucl_device);
ucl_copy(d_rho_coeff,view,true);
_max_bytes+=d_rho_coeff.row_bytes();
// Allocate storage for grid
_npts_x=nxhi_out-nxlo_out+1;
_npts_y=nyhi_out-nylo_out+1;
@ -165,10 +165,10 @@ grdtyp * PPPMT::init(const int nlocal, const int nall, FILE *_screen,
flag=-3;
return 0;
}
error_flag.device.zero();
_max_bytes+=1;
_cpu_idle_time=0.0;
return brick.host.begin();
@ -180,13 +180,13 @@ void PPPMT::clear(const double cpu_time) {
return;
_allocated=false;
_precompute_done=false;
brick.clear();
vd_brick.clear();
d_brick_counts.clear();
error_flag.clear();
d_brick_atoms.clear();
acc_timers();
device->output_kspace_times(time_in,time_out,time_map,time_rho,time_interp,
*ans,_max_bytes+_max_an_bytes,cpu_time,
@ -216,7 +216,7 @@ void PPPMT::clear(const double cpu_time) {
template <class numtyp, class acctyp, class grdtyp, class grdtyp4>
void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
double **host_x, int *host_type, bool &success,
double *host_q, double *boxlo,
double *host_q, double *boxlo,
const double delxinv, const double delyinv,
const double delzinv) {
acc_timers();
@ -224,7 +224,7 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
zero_timers();
return;
}
ans->inum(nlocal);
if (ago==0) {
@ -250,7 +250,7 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX));
int ainum=this->ans->inum();
// Boxlo adjusted to be upper left brick and shift for even spline order
double shift=0.0;
if (_order % 2)
@ -258,7 +258,7 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
_brick_x=boxlo[0]+(_nxlo_out-_nlower-shift)/delxinv;
_brick_y=boxlo[1]+(_nylo_out-_nlower-shift)/delyinv;
_brick_z=boxlo[2]+(_nzlo_out-_nlower-shift)/delzinv;
_delxinv=delxinv;
_delyinv=delyinv;
_delzinv=delzinv;
@ -268,7 +268,7 @@ 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->x, &atom->q, &f_delvolinv, &ainum,
&d_brick_counts, &d_brick_atoms, &_brick_x, &_brick_y,
&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);
@ -299,7 +299,7 @@ void PPPMT::_precompute(const int ago, const int nlocal, const int nall,
template <class numtyp, class acctyp, class grdtyp, class grdtyp4>
int PPPMT::spread(const int ago, const int nlocal, const int nall,
double **host_x, int *host_type, bool &success,
double *host_q, double *boxlo,
double *host_q, double *boxlo,
const double delxinv, const double delyinv,
const double delzinv) {
if (_precompute_done==false) {
@ -309,10 +309,10 @@ int PPPMT::spread(const int ago, const int nlocal, const int nall,
}
device->stop_host_timer();
if (!success || nlocal==0)
return 0;
double t=MPI_Wtime();
time_out.sync_stop();
_cpu_idle_time+=MPI_Wtime()-t;
@ -325,10 +325,10 @@ int PPPMT::spread(const int ago, const int nlocal, const int nall,
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,
return spread(ago,nlocal,nall,host_x,host_type,success,host_q,boxlo,
delxinv,delyinv,delzinv);
}
return error_flag[0];
}
@ -340,18 +340,18 @@ void PPPMT::interp(const grdtyp qqrd2e_scale) {
time_in.start();
vd_brick.update_device(true);
time_in.stop();
time_interp.start();
// Compute the block size and grid size to keep all cores busy
int BX=this->block_size();
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX));
int ainum=this->ans->inum();
k_interp.set_size(GX,BX);
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,
&_delyinv, &_delzinv, &_order, &_order2, &qqrd2e_scale,
&ans->force);
time_interp.stop();
@ -381,7 +381,7 @@ void PPPMT::compile_kernels(UCL_Device &dev) {
#endif
pppm_program=new UCL_Program(dev);
#ifdef USE_OPENCL
pppm_program->load_string(pppm,flags.c_str());
#else