ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Playing with pppm.

Browse Source
This commit is contained in:
W. Michael Brown
2011-02-11 17:30:19 -05:00
parent d7fdcef6ff
commit 9588945705
3 changed files with 768 additions and 51 deletions
Download Patch File Download Diff File Expand all files Collapse all files

108
lib/gpu/pppm_gpu_memory.cpp
View File

@ -288,6 +288,113 @@ int PPPMGPUMemoryT::compute(const int ago, const int nlocal, const int nall,
return h_error_flag[0];
}
*/
// ---------------------------------------------------------------------------
// Copy nbor list from host if necessary and then calculate forces, virials,..
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int PPPMGPUMemoryT::compute(const int ago, const int nlocal, const int nall,
double **host_x, int *host_type, bool &success,
double *host_q, double *boxlo,
const double delxinv, const double delyinv,
const double delzinv) {
acc_timers();
if (nlocal==0) {
zero_timers();
return 0;
}
ans->inum(nlocal);
if (ago==0) {
resize_atom(nlocal,nall,success);
resize_local(nlocal,success);
if (!success)
return 0;
double bytes=ans->gpu_bytes();
if (bytes>_max_an_bytes)
_max_an_bytes=bytes;
}
atom->cast_x_data(host_x,host_type);
atom->cast_q_data(host_q);
atom->add_x_data(host_x,host_type);
atom->add_q_data();
// 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 _max_atoms=10;
int ainum=this->ans->inum();
// Boxlo adjusted to be upper left brick and shift for even stencil order
double shift=0.0;
if (_order % 2)
shift=0.5;
numtyp f_brick_x=boxlo[0]+(_nxlo_out-_nlower-shift)/delxinv;
numtyp f_brick_y=boxlo[1]+(_nylo_out-_nlower-shift)/delyinv;
numtyp f_brick_z=boxlo[2]+(_nzlo_out-_nlower-shift)/delzinv;
numtyp f_delxinv=delxinv;
numtyp f_delyinv=delyinv;
numtyp f_delzinv=delzinv;
double delvolinv = delxinv*delyinv*delzinv;
numtyp f_delvolinv = delvolinv;
time_map.start();
d_brick_counts.zero();
k_particle_map.set_size(GX,BX);
k_particle_map.run(&atom->dev_x.begin(), &ainum, &d_brick_counts.begin(),
&d_brick_atoms.begin(), &f_brick_x, &f_brick_y,
&f_brick_z, &f_delxinv, &f_delyinv, &f_delzinv, &_nlocal_x,
&_nlocal_y, &_nlocal_z, &_atom_stride, &_max_brick_atoms,
&d_error_flag.begin());
time_map.stop();
if (_order % 2)
shift=0.0;
else
shift=0.5;
f_brick_x=boxlo[0]+(_nxlo_out-_nlower+shift)/delxinv;
f_brick_y=boxlo[1]+(_nylo_out-_nlower+shift)/delyinv;
f_brick_z=boxlo[2]+(_nzlo_out-_nlower+shift)/delzinv;
time_rho.start();
BX=block_size();
GX=_npts_x;
int GY=_npts_y;
d_brick.zero();
k_make_rho.set_size(GX,GY,BX,1);
k_make_rho.run(&atom->dev_x.begin(), &atom->dev_q.begin(),
&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,
&_nlower, &_nupper, &f_brick_x, &f_brick_y, &f_brick_z,
&f_delxinv, &f_delyinv, &f_delzinv, &_order, &f_delvolinv);
time_rho.stop();
time_out.start();
ucl_copy(h_brick,d_brick,true);
ucl_copy(h_error_flag,d_error_flag,false);
time_out.stop();
if (h_error_flag[0]==2) {
// Not enough storage for atoms on the brick
_max_brick_atoms*=2;
d_brick_atoms.clear();
d_brick_atoms.alloc(_atom_stride*_max_atoms,*ucl_device);
_max_bytes+=d_brick_atoms.row_bytes();
return compute(ago,nlocal,nall,host_x,host_type,success,host_q,boxlo,
delxinv,delyinv,delzinv);
}
return h_error_flag[0];
}
/*
// ---------------------------------------------------------------------------
// Copy nbor list from host if necessary and then calculate forces, virials,..
// ---------------------------------------------------------------------------
@ -365,6 +472,7 @@ int PPPMGPUMemoryT::compute(const int ago, const int nlocal, const int nall,
return h_error_flag[0];
}
*/
template <class numtyp, class acctyp>
double PPPMGPUMemoryT::host_memory_usage() const {