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monofonIC/include/grid_fft.hh
2019-10-09 17:25:15 +02:00

715 lines
21 KiB
C++

#pragma once
#include <cmath>
#include <array>
#include <vector>
#include <vec3.hh>
#include <general.hh>
#include <bounding_box.hh>
#include <typeinfo>
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)
{
//invalidated = true;
this->Setup();
}
// avoid implicit copying of data
Grid_FFT(const Grid_FFT<data_t> &g) = delete;
~Grid_FFT()
{
if (data_ != nullptr)
{
fftw_free(data_);
}
}
const Grid_FFT<data_t> *get_grid(size_t ilevel) const { return this; }
void Setup();
//! return the (local) size of dimension i
size_t size(size_t i) const { return sizes_[i]; }
//! return the (global) size of dimension i
size_t global_size(size_t i) const { return n_[i]; }
//! return locally stored number of elements of field
size_t local_size(void) const { return local_0_size_ * n_[1] * n_[2]; }
//! return a bounding box of the global extent of the field
const bounding_box<size_t> &get_global_range(void) const
{
return global_range_;
}
//! set all field elements to zero
void zero()
{
#pragma omp parallel for
for (size_t i = 0; i < ntot_; ++i)
data_[i] = 0.0;
}
void copy_from(const Grid_FFT<data_t> &g)
{
// make sure the two fields are in the same space
if (g.space_ != this->space_)
{
if (this->space_ == kspace_id)
this->FourierTransformBackward(false);
else
this->FourierTransformForward(false);
}
// make sure the two fields have the same dimensions
assert(this->n_[0] == g.n_[0]);
assert(this->n_[1] == g.n_[1]);
assert(this->n_[2] == g.n_[2]);
// now we can copy all the data over
#pragma omp parallel for
for (size_t i = 0; i < ntot_; ++i)
data_[i] = g.data_[i];
}
data_t &operator[](size_t i)
{
return data_[i];
}
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;
rr[0] = real_t(i + local_0_start_) * dx_[0];
rr[1] = real_t(j) * dx_[1];
rr[2] = real_t(k) * dx_[2];
return rr;
}
template <typename ft>
vec3<ft> get_unit_r(const size_t i, const size_t j, const size_t k) const
{
vec3<ft> rr;
rr[0] = real_t(i + local_0_start_) / real_t(n_[0]);
rr[1] = real_t(j) / real_t(n_[1]);
rr[2] = real_t(k) / real_t(n_[2]);
return rr;
}
template <typename ft>
vec3<ft> get_unit_r_staggered(const size_t i, const size_t j, const size_t k) const
{
vec3<ft> rr;
rr[0] = (real_t(i + local_0_start_) + 0.5) / real_t(n_[0]);
rr[1] = (real_t(j) + 0.5) / real_t(n_[1]);
rr[2] = (real_t(k) + 0.5) / real_t(n_[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);
}
vec3<size_t> get_cell_idx_3d(const size_t i, const size_t j, const size_t k) const
{
return vec3<size_t>({i + local_0_start_, j, k});
}
size_t get_cell_idx_1d(const size_t i, const size_t j, const size_t k) const
{
return ((i + local_0_start_) * size(1) + j) * size(2) + k;
}
size_t count_leaf_cells(int, int) const
{
return n_[0] * n_[1] * n_[2];
}
real_t get_dx(int idim) const
{
return dx_[idim];
}
const std::array<real_t, 3> &get_dx(void) const
{
return dx_;
}
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_negative_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)
{
double sum1{0.0}, sum2{0.0};
size_t count{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;
}
}
}
count = sizes_[0] * sizes_[1] * sizes_[2];
#ifdef USE_MPI
double globsum1{0.0}, globsum2{0.0};
size_t globcount{0};
MPI_Allreduce(reinterpret_cast<const void *>(&sum1),
reinterpret_cast<void *>(&globsum1),
1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
MPI_Allreduce(reinterpret_cast<const void *>(&sum2),
reinterpret_cast<void *>(&globsum2),
1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
MPI_Allreduce(reinterpret_cast<const void *>(&count),
reinterpret_cast<void *>(&globcount),
1, MPI_UNSIGNED_LONG_LONG, MPI_SUM, MPI_COMM_WORLD);
sum1 = globsum1;
sum2 = globsum2;
count = globcount;
#endif
sum1 /= count;
sum2 /= count;
return std::sqrt(sum2 - sum1 * sum1);
}
double mean(void)
{
double sum1{0.0};
size_t count{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;
}
}
}
count = sizes_[0] * sizes_[1] * sizes_[2];
#ifdef USE_MPI
double globsum1{0.0};
size_t globcount{0};
MPI_Allreduce(reinterpret_cast<const void *>(&sum1),
reinterpret_cast<void *>(&globsum1),
1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
MPI_Allreduce(reinterpret_cast<const void *>(&count),
reinterpret_cast<void *>(&globcount),
1, MPI_UNSIGNED_LONG_LONG, MPI_SUM, MPI_COMM_WORLD);
sum1 = globsum1;
count = globcount;
#endif
sum1 /= count;
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, typename grid_t>
void assign_function_of_grids_k(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->kelem(i, j, k);
const auto &elemg = g.kelem(i, j, k);
elem = f(elemg);
}
}
}
}
template <typename functional, typename grid1_t, typename grid2_t>
void assign_function_of_grids_k(const functional &f, const grid1_t &g1, const grid2_t &g2)
{
assert(g1.size(0) == size(0) && g1.size(1) == size(1)); // && g.size(2) == size(2) );
assert(g2.size(0) == size(0) && g2.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->kelem(i, j, k);
const auto &elemg1 = g1.kelem(i, j, k);
const auto &elemg2 = g2.kelem(i, j, k);
elem = f(elemg1, elemg2);
}
}
}
}
template <typename functional, typename grid1_t, typename grid2_t>
void assign_function_of_grids_kdep(const functional &f, const grid1_t &g1, const grid2_t &g2)
{
assert(g1.size(0) == size(0) && g1.size(1) == size(1)); // && g.size(2) == size(2) );
assert(g2.size(0) == size(0) && g2.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->kelem(i, j, k);
const auto &elemg1 = g1.kelem(i, j, k);
const auto &elemg2 = g2.kelem(i, j, k);
elem = f(this->get_k<real_t>(i, j, k), elemg1, elemg2);
}
}
}
}
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) const;
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);
void Write_PDF(std::string ofname, int nbins = 1000, double scale = 1.0, double rhomin = 1e-3, double rhomax = 1e3);
void stagger_field(void)
{
FourierTransformForward();
apply_function_k_dep([&](auto x, auto k) -> ccomplex_t {
real_t shift = k[0] * get_dx()[0] + k[1] * get_dx()[1] + k[2] * get_dx()[2];
return x * std::exp(ccomplex_t(0.0, 0.5 * shift));
});
FourierTransformBackward();
}
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;
}
}
}
}
}
void dealias(void)
{
static const real_t kmax[3] =
{(real_t)(2.0 / 3.0 * (real_t)n_[0] / 2 * kfac_[0]),
(real_t)(2.0 / 3.0 * (real_t)n_[1] / 2 * kfac_[1]),
(real_t)(2.0 / 3.0 * (real_t)n_[2] / 2 * kfac_[2])};
//static const real_t kmax2 = kmax*kmax;
for (size_t i = 0; i < this->size(0); ++i)
{
for (size_t j = 0; j < this->size(1); ++j)
{
// size_t idx = (i * this->size(1) + j) * this->size(3);
for (size_t k = 0; k < this->size(2); ++k)
{
auto kk = get_k<real_t>(i, j, k);
//if (std::abs(kk[0]) > kmax[0] || std::abs(kk[1]) > kmax[1] || std::abs(kk[2]) > kmax[2])
if( kk.norm() > kmax[0] )
this->kelem(i,j,k) = 0.0;
// ++idx;
}
}
}
}
};