Cache repeated interpolation plans

This commit is contained in:
2026-04-09 15:21:01 +08:00
parent 06fa643365
commit 42e851d19a
4 changed files with 428 additions and 370 deletions

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@@ -180,19 +180,64 @@ surface_integral::surface_integral(int iSymmetry) : Symmetry(iSymmetry)
//|============================================================================
//| Destructor
//|============================================================================
surface_integral::~surface_integral()
{
delete[] nx_g;
delete[] ny_g;
delete[] nz_g;
delete[] arcostheta;
#ifdef GaussInt
delete[] wtcostheta;
#endif
}
//|----------------------------------------------------------------
// spin weighted spinw component of psi4, general routine
// l takes from spinw to maxl; m takes from -l to l
surface_integral::~surface_integral()
{
release_cached_buffers();
delete[] nx_g;
delete[] ny_g;
delete[] nz_g;
delete[] arcostheta;
#ifdef GaussInt
delete[] wtcostheta;
#endif
}
void surface_integral::get_surface_points(double rex, double **pox)
{
SpherePointCache &cache = sphere_point_cache[rex];
if (!cache.pox[0])
{
for (int i = 0; i < 3; ++i)
cache.pox[i] = new double[n_tot];
for (int n = 0; n < n_tot; ++n)
{
cache.pox[0][n] = rex * nx_g[n];
cache.pox[1][n] = rex * ny_g[n];
cache.pox[2][n] = rex * nz_g[n];
}
}
pox[0] = cache.pox[0];
pox[1] = cache.pox[1];
pox[2] = cache.pox[2];
}
double *surface_integral::get_shellf_buffer(int num_var)
{
double *&buffer = shellf_cache[num_var];
if (!buffer)
buffer = new double[n_tot * num_var];
return buffer;
}
void surface_integral::release_cached_buffers()
{
for (map<double, SpherePointCache>::iterator it = sphere_point_cache.begin(); it != sphere_point_cache.end(); ++it)
{
delete[] it->second.pox[0];
delete[] it->second.pox[1];
delete[] it->second.pox[2];
it->second.pox[0] = it->second.pox[1] = it->second.pox[2] = 0;
}
sphere_point_cache.clear();
for (map<int, double *>::iterator it = shellf_cache.begin(); it != shellf_cache.end(); ++it)
delete[] it->second;
shellf_cache.clear();
}
//|----------------------------------------------------------------
// spin weighted spinw component of psi4, general routine
// l takes from spinw to maxl; m takes from -l to l
//|----------------------------------------------------------------
void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *Ipsi4,
int spinw, int maxl, int NN, double *RP, double *IP,
@@ -209,16 +254,9 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
MyList<var> *DG_List = new MyList<var>(Rpsi4);
DG_List->insert(Ipsi4);
int n;
double *pox[3];
for (int i = 0; i < 3; i++)
pox[i] = new double[n_tot];
for (n = 0; n < n_tot; n++)
{
pox[0][n] = rex * nx_g[n];
pox[1][n] = rex * ny_g[n];
pox[2][n] = rex * nz_g[n];
}
int n;
double *pox[3];
get_surface_points(rex, pox);
int mp, Lp, Nmin, Nmax;
mp = n_tot / cpusize;
@@ -234,8 +272,7 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
Nmax = Nmin + mp - 1;
}
double *shellf;
shellf = new double[n_tot * InList];
double *shellf = get_shellf_buffer(InList);
GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Nmin, Nmax);
@@ -375,14 +412,10 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
//|------= Free memory.
delete[] pox[0];
delete[] pox[1];
delete[] pox[2];
delete[] shellf;
delete[] RP_out;
delete[] IP_out;
DG_List->clearList();
}
delete[] RP_out;
delete[] IP_out;
DG_List->clearList();
}
void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *Ipsi4,
int spinw, int maxl, int NN, double *RP, double *IP,
monitor *Monitor, MPI_Comm Comm_here) // NN is the length of RP and IP
@@ -402,19 +435,11 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
MyList<var> *DG_List = new MyList<var>(Rpsi4);
DG_List->insert(Ipsi4);
int n;
double *pox[3];
for (int i = 0; i < 3; i++)
pox[i] = new double[n_tot];
for (n = 0; n < n_tot; n++)
{
pox[0][n] = rex * nx_g[n];
pox[1][n] = rex * ny_g[n];
pox[2][n] = rex * nz_g[n];
}
double *shellf;
shellf = new double[n_tot * InList];
int n;
double *pox[3];
get_surface_points(rex, pox);
double *shellf = get_shellf_buffer(InList);
// misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Interp_Points");
@@ -577,14 +602,10 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
//|------= Free memory.
delete[] pox[0];
delete[] pox[1];
delete[] pox[2];
delete[] shellf;
delete[] RP_out;
delete[] IP_out;
DG_List->clearList();
}
delete[] RP_out;
delete[] IP_out;
DG_List->clearList();
}
//|----------------------------------------------------------------
// for shell patch
//|----------------------------------------------------------------
@@ -597,19 +618,11 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH, var *Rpsi4
MyList<var> *DG_List = new MyList<var>(Rpsi4);
DG_List->insert(Ipsi4);
int n;
double *pox[3];
for (int i = 0; i < 3; i++)
pox[i] = new double[n_tot];
for (n = 0; n < n_tot; n++)
{
pox[0][n] = rex * nx_g[n];
pox[1][n] = rex * ny_g[n];
pox[2][n] = rex * nz_g[n];
}
int n;
double *pox[3];
get_surface_points(rex, pox);
double *shellf;
shellf = new double[n_tot * InList];
double *shellf = get_shellf_buffer(InList);
GH->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry);
@@ -2570,12 +2583,8 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
Rout[5] = sy;
Rout[6] = sz;
delete[] pox[0];
delete[] pox[1];
delete[] pox[2];
delete[] shellf;
DG_List->clearList();
}
DG_List->clearList();
}
void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var *trK,
var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
@@ -2637,19 +2646,11 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
DG_List->insert(Ayz);
DG_List->insert(Azz);
int n;
double *pox[3];
for (int i = 0; i < 3; i++)
pox[i] = new double[n_tot];
for (n = 0; n < n_tot; n++)
{
pox[0][n] = rex * nx_g[n];
pox[1][n] = rex * ny_g[n];
pox[2][n] = rex * nz_g[n];
}
double *shellf;
shellf = new double[n_tot * InList];
int n;
double *pox[3];
get_surface_points(rex, pox);
double *shellf = get_shellf_buffer(InList);
// we have assumed there is only one box on this level,
// so we do not need loop boxes
@@ -2839,12 +2840,8 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
Rout[5] = sy;
Rout[6] = sz;
delete[] pox[0];
delete[] pox[1];
delete[] pox[2];
delete[] shellf;
DG_List->clearList();
}
DG_List->clearList();
}
//|----------------------------------------------------------------
// for shell patch
//|----------------------------------------------------------------