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monofonIC/include/grid_fft.hh
2019-05-20 17:23:52 +02:00

484 lines
14 KiB
C++

#pragma once
#include <cmath>
#include <array>
#include <vector>
#include <execution>
#include <vec3.hh>
#include <general.hh>
#include <bounding_box.hh>
enum space_t
{
kspace_id,
rspace_id
};
template <typename data_t>
class Grid_FFT
{
protected:
#if defined(USE_MPI)
const MPI_Datatype MPI_data_t_type = (typeid(data_t) == typeid(double)) ? MPI_DOUBLE
: (typeid(data_t) == typeid(float)) ? MPI_FLOAT
: (typeid(data_t) == typeid(std::complex<float>)) ? MPI_COMPLEX
: (typeid(data_t) == typeid(std::complex<double>)) ? MPI_DOUBLE_COMPLEX : MPI_INT;
#endif
public:
std::array<size_t, 3> n_, nhalf_;
std::array<size_t, 4> sizes_;
size_t npr_, npc_;
size_t ntot_;
std::array<real_t, 3> length_, kfac_, dx_;
space_t space_;
data_t *data_;
ccomplex_t *cdata_;
bounding_box<size_t> global_range_;
fftw_plan_t plan_, iplan_;
real_t fft_norm_fac_;
ptrdiff_t local_0_start_, local_1_start_;
ptrdiff_t local_0_size_, local_1_size_;
Grid_FFT(const std::array<size_t, 3> &N, const std::array<real_t, 3> &L, space_t initialspace = rspace_id)
: n_(N), length_(L), space_(initialspace), data_(nullptr), cdata_(nullptr)
{
for (int i = 0; i < 3; ++i)
{
kfac_[i] = 2.0 * M_PI / length_[i];
dx_[i] = length_[i] / n_[i];
}
//invalidated = true;
this->Setup();
}
Grid_FFT(const Grid_FFT<data_t> &g)
: n_(g.n_), length_(g.length_), kfac_(g.kfac_), dx_(g.dx_),
space_(g.space_), data_(nullptr), cdata_(nullptr)
{
//invalidated = true;
this->Setup();
std::copy( &g.data_[0], &g.data_[g.ntot_-1], &data_[0] );
// for (size_t i = 0; i < ntot_; ++i)
// {
// data_[i] = g.data_[i];
// }
}
~Grid_FFT()
{
if (data_ != nullptr)
{
fftw_free(data_);
}
}
const Grid_FFT<data_t>* get_grid( size_t ilevel ) const { return this; }
bool is_in_mask( size_t ilevel, size_t i, size_t j, size_t k ) const { return true; }
bool is_refined( size_t ilevel, size_t i, size_t j, size_t k ) const { return false; }
size_t levelmin() const {return 7;}
size_t levelmax() const {return 7;}
void Setup();
size_t size(size_t i) const { return sizes_[i]; }
const bounding_box<size_t>& get_global_range( void ) const
{
return global_range_;
}
void zero()
{
#pragma omp parallel for
for (size_t i = 0; i < ntot_; ++i)
data_[i] = 0.0;
}
data_t &relem(size_t i, size_t j, size_t k)
{
size_t idx = (i * sizes_[1] + j) * sizes_[3] + k;
return data_[idx];
}
const data_t &relem(size_t i, size_t j, size_t k) const
{
size_t idx = (i * sizes_[1] + j) * sizes_[3] + k;
return data_[idx];
}
ccomplex_t &kelem(size_t i, size_t j, size_t k)
{
size_t idx = (i * sizes_[1] + j) * sizes_[3] + k;
return cdata_[idx];
}
const ccomplex_t &kelem(size_t i, size_t j, size_t k) const
{
size_t idx = (i * sizes_[1] + j) * sizes_[3] + k;
return cdata_[idx];
}
ccomplex_t &kelem(size_t idx) { return cdata_[idx]; }
const ccomplex_t &kelem(size_t idx) const { return cdata_[idx]; }
data_t &relem(size_t idx) { return data_[idx]; }
const data_t &relem(size_t idx) const { return data_[idx]; }
size_t get_idx(size_t i, size_t j, size_t k) const
{
return (i * sizes_[1] + j) * sizes_[3] + k;
}
template <typename ft>
vec3<ft> get_r(const size_t i, const size_t j, const size_t k) const
{
vec3<ft> rr;
#if defined(USE_MPI)
rr[0] = real_t(i + local_0_start_) * dx_[0];
#else
rr[0] = real_t(i) * dx_[0];
#endif
rr[1] = real_t(j) * dx_[1];
rr[2] = real_t(k) * dx_[2];
return rr;
}
void cell_pos( int ilevel, size_t i, size_t j, size_t k, double* x ) const {
x[0] = double(i+local_0_start_)/size(0);
x[1] = double(j)/size(1);
x[2] = double(k)/size(2);
}
size_t count_leaf_cells( int, int ) const {
return n_[0]*n_[1]*n_[2];
}
template <typename ft>
vec3<ft> get_k(const size_t i, const size_t j, const size_t k) const
{
vec3<ft> kk;
#if defined(USE_MPI)
auto ip = i + local_1_start_;
kk[0] = (real_t(j) - real_t(j > nhalf_[0]) * n_[0]) * kfac_[0];
kk[1] = (real_t(ip) - real_t(ip > nhalf_[1]) * n_[1]) * kfac_[1];
#else
kk[0] = (real_t(i) - real_t(i > nhalf_[0]) * n_[0]) * kfac_[0];
kk[1] = (real_t(j) - real_t(j > nhalf_[1]) * n_[1]) * kfac_[1];
#endif
kk[2] = (real_t(k) - real_t(k > nhalf_[2]) * n_[2]) * kfac_[2];
return kk;
}
Grid_FFT<data_t> operator*=( data_t x ){
if( space_ == kspace_id){
this->apply_function_k( [&]( ccomplex_t& f ){ return f*x; } );
}else{
this->apply_function_r( [&]( data_t& f ){ return f*x; } );
}
return *this;
}
Grid_FFT<data_t> operator/=( data_t x ){
if( space_ == kspace_id){
this->apply_function_k( [&]( ccomplex_t& f ){ return f/x; } );
}else{
this->apply_function_r( [&]( data_t& f ){ return f/x; } );
}
return *this;
}
Grid_FFT<data_t> apply_Laplacian( void ){
this->FourierTransformForward();
this->apply_function_k_dep([&](auto x, auto k) {
real_t kmod2 = k.norm_squared();
return -x*kmod2;
});
this->zero_DC_mode();
return *this;
}
Grid_FFT<data_t> apply_InverseLaplacian( void ){
this->FourierTransformForward();
this->apply_function_k_dep([&](auto x, auto k) {
real_t kmod2 = k.norm_squared();
return -x/kmod2;
});
this->zero_DC_mode();
return *this;
}
template <typename functional>
void apply_function_k(const functional &f)
{
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
auto &elem = this->kelem(i, j, k);
elem = f(elem);
}
}
}
}
template <typename functional>
void apply_function_r(const functional &f)
{
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
auto &elem = this->relem(i, j, k);
elem = f(elem);
}
}
}
}
double compute_2norm(void)
{
real_t sum1{0.0};
#pragma omp parallel for reduction(+ : sum1)
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
const auto re = std::real(this->relem(i, j, k));
const auto im = std::imag(this->relem(i, j, k));
sum1 += re * re + im * im;
}
}
}
sum1 /= sizes_[0] * sizes_[1] * sizes_[2];
return sum1;
}
double std(void)
{
real_t sum1{0.0}, sum2{0.0};
#pragma omp parallel for reduction(+ : sum1, sum2)
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
const auto elem = std::real(this->relem(i, j, k));
sum1 += elem;
sum2 += elem * elem;
}
}
}
sum1 /= sizes_[0] * sizes_[1] * sizes_[2];
sum2 /= sizes_[0] * sizes_[1] * sizes_[2];
return std::sqrt(sum2 - sum1 * sum1);
}
double mean(void)
{
real_t sum1{0.0};
#pragma omp parallel for reduction(+ : sum1)
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
const auto elem = std::real(this->relem(i, j, k));
sum1 += elem;
}
}
}
sum1 /= sizes_[0] * sizes_[1] * sizes_[2];
return sum1;
}
template <typename functional, typename grid_t>
void assign_function_of_grids_r(const functional &f, const grid_t &g)
{
assert(g.size(0) == size(0) && g.size(1) == size(1)); // && g.size(2) == size(2) );
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
auto &elem = this->relem(i, j, k);
const auto &elemg = g.relem(i, j, k);
elem = f(elemg);
}
}
}
}
template <typename functional, typename grid1_t, typename grid2_t>
void assign_function_of_grids_r(const functional &f, const grid1_t &g1, const grid2_t &g2)
{
assert(g1.size(0) == size(0) && g1.size(1) == size(1)); // && g1.size(2) == size(2));
assert(g2.size(0) == size(0) && g2.size(1) == size(1)); // && g2.size(2) == size(2));
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
//auto idx = this->get_idx(i,j,k);
auto &elem = this->relem(i, j, k);
const auto &elemg1 = g1.relem(i, j, k);
const auto &elemg2 = g2.relem(i, j, k);
elem = f(elemg1, elemg2);
}
}
}
}
template <typename functional, typename grid1_t, typename grid2_t, typename grid3_t>
void assign_function_of_grids_r(const functional &f, const grid1_t &g1, const grid2_t &g2, const grid3_t &g3)
{
assert(g1.size(0) == size(0) && g1.size(1) == size(1)); // && g1.size(2) == size(2));
assert(g2.size(0) == size(0) && g2.size(1) == size(1)); // && g2.size(2) == size(2));
assert(g3.size(0) == size(0) && g3.size(1) == size(1)); // && g3.size(2) == size(2));
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
//auto idx = this->get_idx(i,j,k);
auto &elem = this->relem(i, j, k);
const auto &elemg1 = g1.relem(i, j, k);
const auto &elemg2 = g2.relem(i, j, k);
const auto &elemg3 = g3.relem(i, j, k);
elem = f(elemg1, elemg2, elemg3);
}
}
}
}
template <typename functional>
void apply_function_k_dep(const functional &f)
{
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
auto &elem = this->kelem(i, j, k);
elem = f(elem, this->get_k<real_t>(i, j, k));
}
}
}
}
template <typename functional>
void apply_function_r_dep(const functional &f)
{
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
auto &elem = this->relem(i, j, k);
elem = f(elem, this->get_r<real_t>(i, j, k));
}
}
}
}
void FourierTransformBackward(bool do_transform = true);
void FourierTransformForward(bool do_transform = true);
void ApplyNorm(void);
void FillRandomReal(unsigned long int seed = 123456ul);
void Write_to_HDF5(std::string fname, std::string datasetname);
void Write_PowerSpectrum( std::string ofname );
void Compute_PowerSpectrum(std::vector<double> &bin_k, std::vector<double> &bin_P, std::vector<double> &bin_eP, std::vector<size_t> &bin_count, int nbins);
void Write_PDF(std::string ofname, int nbins = 1000, double scale = 1.0, double rhomin = 1e-3, double rhomax = 1e3);
void zero_DC_mode(void)
{
if( space_ == kspace_id ){
#ifdef USE_MPI
if (CONFIG::MPI_task_rank == 0)
#endif
cdata_[0] = (data_t)0.0;
}else{
data_t sum = 0.0;
// #pragma omp parallel for reduction(+:sum)
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
sum += this->relem(i, j, k);
}
}
}
#if defined(USE_MPI)
data_t glob_sum = 0.0;
MPI_Allreduce(reinterpret_cast<void *>(&sum), reinterpret_cast<void *>(&glob_sum),
1, GetMPIDatatype<data_t>(), MPI_SUM, MPI_COMM_WORLD);
sum = glob_sum;
#endif
sum /= sizes_[0]*sizes_[1]*sizes_[2];
#pragma omp parallel for
for (size_t i = 0; i < sizes_[0]; ++i)
{
for (size_t j = 0; j < sizes_[1]; ++j)
{
for (size_t k = 0; k < sizes_[2]; ++k)
{
this->relem(i, j, k) -= sum;
}
}
}
}
}
};