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Feb2021 GPU Package Update - GPU Package Files

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This commit is contained in:
Michael Brown
2021-02-15 08:20:50 -08:00
parent 16004e8f45
commit e7e2d2323b
345 changed files with 13424 additions and 7708 deletions
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44
lib/gpu/lal_neighbor_shared.cpp
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@ -13,6 +13,7 @@
email : brownw@ornl.gov
***************************************************************************/
#include <cmath>
#include "lal_precision.h"
#include "lal_neighbor_shared.h"
@ -48,6 +49,45 @@ void NeighborShared::clear() {
}
}
double NeighborShared::best_cell_size(const double subx, const double suby,
const double subz, const int nlocal,
const double cut) {
if (_cached_cell_size && _cut_sort==cut) {
_cached_cell_size=false;
return _cell_size;
}
const double box_density = static_cast<double>(nlocal) / (subx*suby*subz);
const double density=box_density*cut*cut*cut;
if (density >= 4.0 * _simd_size) return cut*0.5;
else if (density >= 0.5 * _simd_size) return cut;
const double iters = 60;
const double inc = cut/(iters-1);
const double iss = 1.0 / _simd_size;
double test_size = cut;
double best_iters = 1e200;
double best_size;
for (int i = 0; i < iters; i++) {
const double i_test_size = 1.0/test_size;
const int ncellx = static_cast<int>(ceil(subx*i_test_size));
const int ncelly = static_cast<int>(ceil(suby*i_test_size));
const int ncellz = static_cast<int>(ceil(subz*i_test_size));
const double density = box_density*test_size*test_size*test_size;
const double iters_per_cell = ceil(iss*density);
const double iters = ncellx*ncelly*ncellz*iters_per_cell*
ceil(density*27.0*iss);
if (iters < best_iters) {
best_iters = iters;
best_size = test_size;
}
test_size += inc;
}
const int cells_in_cutoff=static_cast<int>(ceil(cut/best_size));
if (cells_in_cutoff > 2) best_size=cut*0.5;
return best_size;
}
void NeighborShared::compile_kernels(UCL_Device &dev, const int gpu_nbor,
const std::string flags) {
if (_compiled)
@ -56,11 +96,11 @@ void NeighborShared::compile_kernels(UCL_Device &dev, const int gpu_nbor,
_gpu_nbor=gpu_nbor;
if (_gpu_nbor==0) {
nbor_program=new UCL_Program(dev);
nbor_program->load_string(neighbor_cpu,flags.c_str());
nbor_program->load_string(neighbor_cpu,flags.c_str(),nullptr,stderr);
k_nbor.set_function(*nbor_program,"kernel_unpack");
} else {
build_program=new UCL_Program(dev);
build_program->load_string(neighbor_gpu,flags.c_str());
build_program->load_string(neighbor_gpu,flags.c_str(),nullptr,stderr);
if (_gpu_nbor==1) {
k_cell_id.set_function(*build_program,"calc_cell_id");