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Chichi Lalescu authoredChichi Lalescu authored
fluid_solver_base.cpp 20.34 KiB
/**********************************************************************
* *
* Copyright 2015 Max Planck Institute *
* for Dynamics and Self-Organization *
* *
* This file is part of bfps. *
* *
* bfps is free software: you can redistribute it and/or modify *
* it under the terms of the GNU General Public License as published *
* by the Free Software Foundation, either version 3 of the License, *
* or (at your option) any later version. *
* *
* bfps is distributed in the hope that it will be useful, *
* but WITHOUT ANY WARRANTY; without even the implied warranty of *
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
* GNU General Public License for more details. *
* *
* You should have received a copy of the GNU General Public License *
* along with bfps. If not, see <http://www.gnu.org/licenses/> *
* *
* Contact: Cristian.Lalescu@ds.mpg.de *
* *
**********************************************************************/
// code is generally compiled via setuptools, therefore NDEBUG is present
//#ifdef NDEBUG
//#undef NDEBUG
//#endif//NDEBUG
#include <cassert>
#include <cmath>
#include <cstring>
#include "base.hpp"
#include "fluid_solver_base.hpp"
#include "fftw_tools.hpp"
template <class rnumber>
void fluid_solver_base<rnumber>::fill_up_filename(const char *base_name, char *destination)
{
sprintf(destination, "%s_%s_i%.5x", this->name, base_name, this->iteration);
}
template <class rnumber>
void fluid_solver_base<rnumber>::clean_up_real_space(rnumber *a, int howmany)
{
for (ptrdiff_t rindex = 0; rindex < this->cd->local_size*2; rindex += howmany*(this->rd->subsizes[2]+2))
std::fill_n(a+rindex+this->rd->subsizes[2]*howmany, 2*howmany, 0.0);
}
template <class rnumber>
rnumber fluid_solver_base<rnumber>::autocorrel(cnumber *a)
{
double *spec = fftw_alloc_real(this->nshells*9);
double sum_local, sum;
this->cospectrum(a, a, spec);
sum_local = 0.0;
for (int n = 0; n < this->nshells; n++)
sum_local += spec[n*9] + spec[n*9 + 4] + spec[n*9 + 8];
fftw_free(spec);
MPI_Allreduce(
&sum_local,
&sum,
1,
MPI_DOUBLE,
MPI_SUM,
this->cd->comm);
return sum;
}
template <class rnumber>
void fluid_solver_base<rnumber>::cospectrum(cnumber *a, cnumber *b, double *spec)
{
double *cospec_local = fftw_alloc_real(this->nshells*9);
std::fill_n(cospec_local, this->nshells*9, 0);
int tmp_int;
CLOOP_K2_NXMODES(
if (k2 <= this->kM2)
{
tmp_int = int(sqrt(k2)/this->dk)*9;
for (int i=0; i<3; i++)
for (int j=0; j<3; j++)
{
cospec_local[tmp_int+i*3+j] += nxmodes * (
(*(a + 3*cindex+i))[0] * (*(b + 3*cindex+j))[0] +
(*(a + 3*cindex+i))[1] * (*(b + 3*cindex+j))[1]);
}
}
);
MPI_Allreduce(
(void*)cospec_local,
(void*)spec,
this->nshells*9,
MPI_DOUBLE, MPI_SUM, this->cd->comm);
fftw_free(cospec_local);
}
template <class rnumber>
void fluid_solver_base<rnumber>::cospectrum(cnumber *a, cnumber *b, double *spec, const double k2exponent)
{
double *cospec_local = fftw_alloc_real(this->nshells*9);
std::fill_n(cospec_local, this->nshells*9, 0);
double factor = 1;
int tmp_int;
CLOOP_K2_NXMODES(
if (k2 <= this->kM2)
{
factor = nxmodes*pow(k2, k2exponent);
tmp_int = int(sqrt(k2)/this->dk)*9;
for (int i=0; i<3; i++)
for (int j=0; j<3; j++)
{
cospec_local[tmp_int+i*3+j] += factor * (
(*(a + 3*cindex+i))[0] * (*(b + 3*cindex+j))[0] +
(*(a + 3*cindex+i))[1] * (*(b + 3*cindex+j))[1]);
}
}
);
MPI_Allreduce(
(void*)cospec_local,
(void*)spec,
this->nshells*9,
MPI_DOUBLE, MPI_SUM, this->cd->comm);
//for (int n=0; n<this->nshells; n++)
//{
// spec[n] *= 12.5663706144*pow(this->kshell[n], 2) / this->nshell[n];
// /*is normalization needed?
// * spec[n] /= this->normalization_factor*/
//}
fftw_free(cospec_local);
}
template <class rnumber>
void fluid_solver_base<rnumber>::compute_rspace_stats(
rnumber *a,
double *moments,
ptrdiff_t *hist,
double max_estimate,
int nbins)
{ double *local_moments = fftw_alloc_real(10*4);
double val_tmp[4], binsize, pow_tmp[4];
ptrdiff_t *local_hist = new ptrdiff_t[nbins*4];
int bin;
binsize = 2*max_estimate / nbins;
std::fill_n(local_hist, nbins*4, 0);
std::fill_n(local_moments, 10*4, 0);
local_moments[3] = max_estimate;
RLOOP(
this,
std::fill_n(pow_tmp, 4, 1.0);
val_tmp[3] = 0.0;
for (int i=0; i<3; i++)
{
val_tmp[i] = a[rindex*3+i];
val_tmp[3] += val_tmp[i]*val_tmp[i];
}
val_tmp[3] = sqrt(val_tmp[3]);
if (val_tmp[3] < local_moments[0*4+3])
local_moments[0*4+3] = val_tmp[3];
if (val_tmp[3] > local_moments[9*4+3])
local_moments[9*4+3] = val_tmp[3];
bin = int(val_tmp[3]*2/binsize);
if (bin >= 0 && bin < nbins)
local_hist[bin*4+3]++;
for (int i=0; i<3; i++)
{
if (val_tmp[i] < local_moments[0*4+i])
local_moments[0*4+i] = val_tmp[i];
if (val_tmp[i] > local_moments[9*4+i])
local_moments[9*4+i] = val_tmp[i];
bin = int((val_tmp[i] + max_estimate) / binsize);
if (bin >= 0 && bin < nbins)
local_hist[bin*4+i]++;
}
for (int n=1; n<9; n++)
for (int i=0; i<4; i++)
local_moments[n*4 + i] += (pow_tmp[i] = val_tmp[i]*pow_tmp[i]);
);
MPI_Allreduce(
(void*)local_moments,
(void*)moments,
4,
MPI_DOUBLE, MPI_MIN, this->cd->comm);
MPI_Allreduce(
(void*)(local_moments + 4),
(void*)(moments+4),
8*4,
MPI_DOUBLE, MPI_SUM, this->cd->comm);
MPI_Allreduce(
(void*)(local_moments + 9*4),
(void*)(moments+9*4),
4,
MPI_DOUBLE, MPI_MAX, this->cd->comm);
MPI_Allreduce(
(void*)local_hist,
(void*)hist,
nbins*4,
MPI_INT64_T, MPI_SUM, this->cd->comm);
for (int n=1; n<9; n++)
for (int i=0; i<4; i++)
moments[n*4 + i] /= this->normalization_factor;
fftw_free(local_moments);
delete[] local_hist;
}
template <class rnumber>
void fluid_solver_base<rnumber>::write_spectrum(const char *fname, cnumber *a, const double k2exponent)
{
double *spec = fftw_alloc_real(this->nshells); this->cospectrum(a, a, spec, k2exponent);
if (this->cd->myrank == 0)
{
FILE *spec_file;
char full_name[512];
sprintf(full_name, "%s_%s_spec", this->name, fname);
spec_file = fopen(full_name, "ab");
fwrite((void*)&this->iteration, sizeof(int), 1, spec_file);
fwrite((void*)spec, sizeof(double), this->nshells, spec_file);
fclose(spec_file);
}
fftw_free(spec);
}
/*****************************************************************************/
/* macro for specializations to numeric types compatible with FFTW */
#define FLUID_SOLVER_BASE_DEFINITIONS(FFTW, R, MPI_RNUM, MPI_CNUM) \
\
template<> \
fluid_solver_base<R>::fluid_solver_base( \
const char *NAME, \
int nx, \
int ny, \
int nz, \
double DKX, \
double DKY, \
double DKZ, \
int DEALIAS_TYPE) \
{ \
strncpy(this->name, NAME, 256); \
this->name[255] = '\0'; \
this->iteration = 0; \
\
int ntmp[4]; \
ntmp[0] = nz; \
ntmp[1] = ny; \
ntmp[2] = nx; \
ntmp[3] = 3; \
this->rd = new field_descriptor<R>( \
4, ntmp, MPI_RNUM, MPI_COMM_WORLD);\
this->normalization_factor = (this->rd->full_size/3); \
ntmp[0] = ny; \
ntmp[1] = nz; \
ntmp[2] = nx/2 + 1; \
ntmp[3] = 3; \
this->cd = new field_descriptor<R>( \
4, ntmp, MPI_CNUM, this->rd->comm);\
\
this->dkx = DKX; \
this->dky = DKY; \
this->dkz = DKZ; \
this->kx = new double[this->cd->sizes[2]]; \
this->ky = new double[this->cd->subsizes[0]]; \
this->kz = new double[this->cd->sizes[1]]; \
this->dealias_type = DEALIAS_TYPE; \
switch(this->dealias_type) \
{ \
/* HL07 smooth filter */ \
case 1: \
this->kMx = this->dkx*(int(this->rd->sizes[2] / 2)); \
this->kMy = this->dky*(int(this->rd->sizes[1] / 2)); \
this->kMz = this->dkz*(int(this->rd->sizes[0] / 2)); \
break; \
default: \
this->kMx = this->dkx*(int(this->rd->sizes[2] / 3)-1); \
this->kMy = this->dky*(int(this->rd->sizes[1] / 3)-1); \
this->kMz = this->dkz*(int(this->rd->sizes[0] / 3)-1); \
} \
int i, ii; \ for (i = 0; i<this->cd->sizes[2]; i++) \
this->kx[i] = i*this->dkx; \
for (i = 0; i<this->cd->subsizes[0]; i++) \
{ \
ii = i + this->cd->starts[0]; \
if (ii <= this->rd->sizes[1]/2) \
this->ky[i] = this->dky*ii; \
else \
this->ky[i] = this->dky*(ii - this->rd->sizes[1]); \
} \
for (i = 0; i<this->cd->sizes[1]; i++) \
{ \
if (i <= this->rd->sizes[0]/2) \
this->kz[i] = this->dkz*i; \
else \
this->kz[i] = this->dkz*(i - this->rd->sizes[0]); \
} \
this->kM = this->kMx; \
if (this->kM < this->kMy) this->kM = this->kMy; \
if (this->kM < this->kMz) this->kM = this->kMz; \
this->kM2 = this->kM * this->kM; \
this->dk = this->dkx; \
if (this->dk > this->dky) this->dk = this->dky; \
if (this->dk > this->dkz) this->dk = this->dkz; \
this->dk2 = this->dk*this->dk; \
DEBUG_MSG( \
"kM = %g, kM2 = %g, dk = %g, dk2 = %g\n", \
this->kM, this->kM2, this->dk, this->dk2); \
/* spectra stuff */ \
this->nshells = int(this->kM / this->dk) + 2; \
this->kshell = new double[this->nshells]; \
std::fill_n(this->kshell, this->nshells, 0.0); \
this->nshell = new int64_t[this->nshells]; \
std::fill_n(this->nshell, this->nshells, 0); \
double *kshell_local = new double[this->nshells]; \
std::fill_n(kshell_local, this->nshells, 0.0); \
int64_t *nshell_local = new int64_t[this->nshells]; \
std::fill_n(nshell_local, this->nshells, 0.0); \
double knorm; \
CLOOP_K2_NXMODES( \
if (k2 < this->kM2) \
{ \
knorm = sqrt(k2); \
nshell_local[int(knorm/this->dk)] += nxmodes; \
kshell_local[int(knorm/this->dk)] += nxmodes*knorm; \
} \
this->Fourier_filter[int(round(k2 / this->dk2))] = exp(-36.0 * pow(k2/this->kM2, 18.)); \
); \
\
MPI_Allreduce( \
(void*)(nshell_local), \
(void*)(this->nshell), \
this->nshells, \
MPI_INT64_T, MPI_SUM, this->cd->comm); \
MPI_Allreduce( \
(void*)(kshell_local), \
(void*)(this->kshell), \
this->nshells, \
MPI_DOUBLE, MPI_SUM, this->cd->comm); \
for (int n=0; n<this->nshells; n++) \
{ \
this->kshell[n] /= this->nshell[n]; \
} \
delete[] nshell_local; \
delete[] kshell_local; \
} \
\
template<> \
fluid_solver_base<R>::~fluid_solver_base() \
{ \ DEBUG_MSG("entered ~fluid_solver_base\n"); \
delete[] this->kshell; \
delete[] this->nshell; \
\
delete[] this->kx; \
delete[] this->ky; \
delete[] this->kz; \
\
delete this->cd; \
delete this->rd; \
DEBUG_MSG("exiting ~fluid_solver_base\n"); \
} \
\
template<> \
void fluid_solver_base<R>::low_pass_Fourier(FFTW(complex) *a, const int howmany, const double kmax) \
{ \
const double km2 = kmax*kmax; \
const int howmany2 = 2*howmany; \
/*DEBUG_MSG("entered low_pass_Fourier, kmax=%lg km2=%lg howmany2=%d\n", kmax, km2, howmany2);*/ \
CLOOP_K2( \
/*DEBUG_MSG("kx=%lg ky=%lg kz=%lg k2=%lg\n", \
this->kx[xindex], \
this->ky[yindex], \
this->kz[zindex], \
k2);*/ \
if (k2 >= km2) \
std::fill_n((R*)(a + howmany*cindex), howmany2, 0.0); \
);\
} \
\
template<> \
void fluid_solver_base<R>::dealias(FFTW(complex) *a, const int howmany) \
{ \
if (this->dealias_type == 0) \
{ \
this->low_pass_Fourier(a, howmany, this->kM); \
return; \
} \
double tval; \
CLOOP_K2( \
tval = this->Fourier_filter[int(round(k2/this->dk2))]; \
for (int tcounter = 0; tcounter < howmany; tcounter++) \
for (int i=0; i<2; i++) \
a[howmany*cindex+tcounter][i] *= tval; \
); \
} \
\
template<> \
void fluid_solver_base<R>::force_divfree(FFTW(complex) *a) \
{ \
FFTW(complex) tval; \
CLOOP_K2( \
{ \
tval[0] = (this->kx[xindex]*((*(a + cindex*3 ))[0]) + \
this->ky[yindex]*((*(a + cindex*3+1))[0]) + \
this->kz[zindex]*((*(a + cindex*3+2))[0]) ) / k2; \
tval[1] = (this->kx[xindex]*((*(a + cindex*3 ))[1]) + \
this->ky[yindex]*((*(a + cindex*3+1))[1]) + \
this->kz[zindex]*((*(a + cindex*3+2))[1]) ) / k2; \
for (int imag_part=0; imag_part<2; imag_part++) \
{ \
a[cindex*3 ][imag_part] -= tval[imag_part]*this->kx[xindex]; \
a[cindex*3+1][imag_part] -= tval[imag_part]*this->ky[yindex]; \
a[cindex*3+2][imag_part] -= tval[imag_part]*this->kz[zindex]; \
} \
} \
);\
if (this->cd->myrank == this->cd->rank[0]) \
std::fill_n((R*)(a), 6, 0.0); \
} \ \
template<> \
void fluid_solver_base<R>::symmetrize(FFTW(complex) *data, const int howmany) \
{ \
ptrdiff_t ii, cc; \
MPI_Status *mpistatus = new MPI_Status; \
if (this->cd->myrank == this->cd->rank[0]) \
{ \
for (cc = 0; cc < howmany; cc++) \
data[cc][1] = 0.0; \
for (ii = 1; ii < this->cd->sizes[1]/2; ii++) \
for (cc = 0; cc < howmany; cc++) { \
( *(data + cc + howmany*(this->cd->sizes[1] - ii)*this->cd->sizes[2]))[0] = \
(*(data + cc + howmany*( ii)*this->cd->sizes[2]))[0]; \
( *(data + cc + howmany*(this->cd->sizes[1] - ii)*this->cd->sizes[2]))[1] = \
-(*(data + cc + howmany*( ii)*this->cd->sizes[2]))[1]; \
} \
} \
FFTW(complex) *buffer; \
buffer = FFTW(alloc_complex)(howmany*this->cd->sizes[1]); \
ptrdiff_t yy; \
/*ptrdiff_t tindex;*/ \
int ranksrc, rankdst; \
for (yy = 1; yy < this->cd->sizes[0]/2; yy++) { \
ranksrc = this->cd->rank[yy]; \
rankdst = this->cd->rank[this->cd->sizes[0] - yy]; \
if (this->cd->myrank == ranksrc) \
for (ii = 0; ii < this->cd->sizes[1]; ii++) \
for (cc = 0; cc < howmany; cc++) \
for (int imag_comp=0; imag_comp<2; imag_comp++) \
(*(buffer + howmany*ii+cc))[imag_comp] = \
(*(data + howmany*((yy - this->cd->starts[0])*this->cd->sizes[1] + ii)*this->cd->sizes[2] + cc))[imag_comp]; \
if (ranksrc != rankdst) \
{ \
DEBUG_MSG("inside fluid_solver_base::symmetrize, about to send/recv data\n"); \
if (this->cd->myrank == ranksrc) \
MPI_Send((void*)buffer, \
howmany*this->cd->sizes[1], MPI_CNUM, rankdst, yy, \
this->cd->comm); \
if (this->cd->myrank == rankdst) \
MPI_Recv((void*)buffer, \
howmany*this->cd->sizes[1], MPI_CNUM, ranksrc, yy, \
this->cd->comm, mpistatus); \
DEBUG_MSG("inside fluid_solver_base::symmetrize, after send/recv data\n"); \
} \
if (this->cd->myrank == rankdst) \
{ \
for (ii = 1; ii < this->cd->sizes[1]; ii++) \
for (cc = 0; cc < howmany; cc++) \
{ \
(*(data + howmany*((this->cd->sizes[0] - yy - this->cd->starts[0])*this->cd->sizes[1] + ii)*this->cd->sizes[2] + cc))[0] = \
(*(buffer + howmany*(this->cd->sizes[1]-ii)+cc))[0]; \
(*(data + howmany*((this->cd->sizes[0] - yy - this->cd->starts[0])*this->cd->sizes[1] + ii)*this->cd->sizes[2] + cc))[1] = \
-(*(buffer + howmany*(this->cd->sizes[1]-ii)+cc))[1]; \
} \
for (cc = 0; cc < howmany; cc++) \
{ \
(*((data + cc + howmany*(this->cd->sizes[0] - yy - this->cd->starts[0])*this->cd->sizes[1]*this->cd->sizes[2])))[0] = (*(buffer + cc))[0]; \
(*((data + cc + howmany*(this->cd->sizes[0] - yy - this->cd->starts[0])*this->cd->sizes[1]*this->cd->sizes[2])))[1] = -(*(buffer + cc))[1]; \
} \
} \
} \
FFTW(free)(buffer); \
delete mpistatus; \
/* put asymmetric data to 0 */\
/*if (this->cd->myrank == this->cd->rank[this->cd->sizes[0]/2]) \
{ \
tindex = howmany*(this->cd->sizes[0]/2 - this->cd->starts[0])*this->cd->sizes[1]*this->cd->sizes[2]; \
for (ii = 0; ii < this->cd->sizes[1]; ii++) \
{ \ std::fill_n((R*)(data + tindex), howmany*2*this->cd->sizes[2], 0.0); \
tindex += howmany*this->cd->sizes[2]; \
} \
} \
tindex = howmany*(); \
std::fill_n((R*)(data + tindex), howmany*2, 0.0);*/ \
} \
\
template<> \
int fluid_solver_base<R>::read_base(const char *fname, R *data) \
{ \
char full_name[512]; \
sprintf(full_name, "%s_%s_i%.5x", this->name, fname, this->iteration); \
return this->rd->read(full_name, (void*)data); \
} \
\
template<> \
int fluid_solver_base<R>::read_base(const char *fname, FFTW(complex) *data) \
{ \
char full_name[512]; \
sprintf(full_name, "%s_%s_i%.5x", this->name, fname, this->iteration); \
return this->cd->read(full_name, (void*)data); \
} \
\
template<> \
int fluid_solver_base<R>::write_base(const char *fname, R *data) \
{ \
char full_name[512]; \
sprintf(full_name, "%s_%s_i%.5x", this->name, fname, this->iteration); \
return this->rd->write(full_name, (void*)data); \
} \
\
template<> \
int fluid_solver_base<R>::write_base(const char *fname, FFTW(complex) *data) \
{ \
char full_name[512]; \
sprintf(full_name, "%s_%s_i%.5x", this->name, fname, this->iteration); \
return this->cd->write(full_name, (void*)data); \
}
/*****************************************************************************/
/*****************************************************************************/
/* now actually use the macro defined above */
FLUID_SOLVER_BASE_DEFINITIONS(
FFTW_MANGLE_FLOAT,
float,
MPI_FLOAT,
MPI_COMPLEX)
FLUID_SOLVER_BASE_DEFINITIONS(
FFTW_MANGLE_DOUBLE,
double,
MPI_DOUBLE,
BFPS_MPICXX_DOUBLE_COMPLEX)
/*****************************************************************************/
/*****************************************************************************/
/* finally, force generation of code for single precision */
template class fluid_solver_base<float>;
template class fluid_solver_base<double>;
/*****************************************************************************/