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Commit cc25b5af authored by Matthieu Schaller's avatar Matthieu Schaller
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Use the Ewald correction when computing exact forces for gravity accuracy checks.

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1 merge request!398Use particle caches for the gravity P-P interactions. Ewald summation for the gravity force checks
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examples/main.c
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− 1
View file @ cc25b5af
...@@ -567,7 +567,7 @@ int main(int argc, char *argv[]) { ...@@ -567,7 +567,7 @@ int main(int argc, char *argv[]) {
/* Initialise the table of Ewald corrections for the gravity checks */ /* Initialise the table of Ewald corrections for the gravity checks */
#ifdef SWIFT_GRAVITY_FORCE_CHECKS #ifdef SWIFT_GRAVITY_FORCE_CHECKS
if (periodic) gravity_exact_force_ewald_init(64, dim[0]); if (periodic) gravity_exact_force_ewald_init(dim[0]);
#endif #endif
/* Initialise the external potential properties */ /* Initialise the external potential properties */
......
src/gravity.c
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...@@ -41,12 +41,28 @@ struct exact_force_data { ...@@ -41,12 +41,28 @@ struct exact_force_data {
double const_G; double const_G;
}; };
/* Components of the Ewald correction */
float *fewald_x; float *fewald_x;
float *fewald_y; float *fewald_y;
float *fewald_z; float *fewald_z;
/* Size of the Ewald table */
const int N = 64;
/* Factor used to normalize the access to the Ewald table */
float ewald_fac; float ewald_fac;
void gravity_exact_force_ewald_init(int N, double boxSize) { /**
* @brief Allocates the memory and computes one octant of the
* Ewald correction table.
*
* We follow Hernquist, Bouchet & Suto, 1991, ApJS, Volume 75, p.231-240,
* equations (2.14a) and (2.14b) with alpha = 2. We consider all terms with
* |x - nL| < 4L and |h|^2 < 16.
*
* @param boxSize The side-length (L) of the volume.
*/
void gravity_exact_force_ewald_init(double boxSize) {
#ifdef SWIFT_GRAVITY_FORCE_CHECKS #ifdef SWIFT_GRAVITY_FORCE_CHECKS
const ticks tic = getticks(); const ticks tic = getticks();
...@@ -69,8 +85,10 @@ void gravity_exact_force_ewald_init(int N, double boxSize) { ...@@ -69,8 +85,10 @@ void gravity_exact_force_ewald_init(int N, double boxSize) {
ewald_fac = (double)(2 * EN) / boxSize; ewald_fac = (double)(2 * EN) / boxSize;
/* Zero stuff before allocation */ /* Zero stuff before allocation */
fewald_x = NULL; fewald_y = NULL; fewald_z = NULL; fewald_x = NULL;
fewald_y = NULL;
fewald_z = NULL;
/* Allocate the correction arrays */ /* Allocate the correction arrays */
if ((posix_memalign((void **)&fewald_x, 64, EN * EN * EN * sizeof(float)) != if ((posix_memalign((void **)&fewald_x, 64, EN * EN * EN * sizeof(float)) !=
0) || 0) ||
...@@ -90,8 +108,8 @@ void gravity_exact_force_ewald_init(int N, double boxSize) { ...@@ -90,8 +108,8 @@ void gravity_exact_force_ewald_init(int N, double boxSize) {
for (int j = 0; j < EN; ++j) { for (int j = 0; j < EN; ++j) {
for (int k = 0; k < EN; ++k) { for (int k = 0; k < EN; ++k) {
if(i == 0 && j == 0 && k == 0) continue; if (i == 0 && j == 0 && k == 0) continue;
/* Distance vector */ /* Distance vector */
const float r_x = 0.5f * ((float)i) / N; const float r_x = 0.5f * ((float)i) / N;
const float r_y = 0.5f * ((float)j) / N; const float r_y = 0.5f * ((float)j) / N;
...@@ -138,20 +156,19 @@ void gravity_exact_force_ewald_init(int N, double boxSize) { ...@@ -138,20 +156,19 @@ void gravity_exact_force_ewald_init(int N, double boxSize) {
for (int h_i = -4; h_i <= 4; ++h_i) { for (int h_i = -4; h_i <= 4; ++h_i) {
for (int h_j = -4; h_j <= 4; ++h_j) { for (int h_j = -4; h_j <= 4; ++h_j) {
for (int h_k = -4; h_k <= 4; ++h_k) { for (int h_k = -4; h_k <= 4; ++h_k) {
const float h2 = h_i * h_i + h_j * h_j + h_k * h_k;
const float h2_inv = 1.f / (h2 + FLT_MIN);
const float h_dot_x = h_i * r_x + h_j * r_y + h_k * r_z;
const float val = 2.f * h2_inv * expf(h2 * factor_exp2) *
sinf(factor_sin * h_dot_x);
/* Second correction term */
f_x -= val * h_i;
f_y -= val * h_j;
f_z -= val * h_k;
const float h2 = h_i * h_i + h_j * h_j + h_k * h_k;
const float h2_inv = 1.f / (h2 + FLT_MIN);
const float h_dot_x = h_i * r_x + h_j * r_y + h_k * r_z;
const float val = 2.f * h2_inv * expf(h2 * factor_exp2) *
sinf(factor_sin * h_dot_x);
/* Second correction term */
f_x -= val * h_i;
f_y -= val * h_j;
f_z -= val * h_k;
} }
} }
} }
...@@ -170,13 +187,16 @@ void gravity_exact_force_ewald_init(int N, double boxSize) { ...@@ -170,13 +187,16 @@ void gravity_exact_force_ewald_init(int N, double boxSize) {
} }
/* Say goodbye */ /* Say goodbye */
message("Ewald correction table done (took %.3f %s). ", message("Ewald correction table computed (took %.3f %s). ",
clocks_from_ticks(getticks() - tic), clocks_getunit()); clocks_from_ticks(getticks() - tic), clocks_getunit());
#else #else
error("Gravity checking function called without the corresponding flag."); error("Gravity checking function called without the corresponding flag.");
#endif #endif
} }
/**
* @param Free the Ewald summation tables.
*/
void gravity_exact_force_ewald_free() { void gravity_exact_force_ewald_free() {
#ifdef SWIFT_GRAVITY_FORCE_CHECKS #ifdef SWIFT_GRAVITY_FORCE_CHECKS
free(fewald_x); free(fewald_x);
...@@ -187,6 +207,80 @@ void gravity_exact_force_ewald_free() { ...@@ -187,6 +207,80 @@ void gravity_exact_force_ewald_free() {
#endif #endif
} }
/**
* @param Compute the Ewald correction for a given distance vector r.
*
* We interpolate the Ewald correction tables using a tri-linear interpolation
* similar to a CIC.
*
* @param rx x-coordinate of distance vector.
* @param ry y-coordinate of distance vector.
* @param rz z-coordinate of distance vector.
* @param corr (return) The Ewald correction.
*/
__attribute__((always_inline)) INLINE static void
gravity_exact_force_ewald_evaluate(double rx, double ry, double rz,
double corr[3]) {
const int s_x = (rx < 0.) ? 1 : -1;
const int s_y = (ry < 0.) ? 1 : -1;
const int s_z = (rz < 0.) ? 1 : -1;
rx = fabs(rx);
ry = fabs(ry);
rz = fabs(rz);
int i = (int)(rx * ewald_fac);
if (i >= N) i = N - 1;
const double dx = rx * ewald_fac - i;
const double tx = 1. - dx;
int j = (int)(ry * ewald_fac);
if (j >= N) j = N - 1;
const double dy = ry * ewald_fac - j;
const double ty = 1. - dy;
int k = (int)(rz * ewald_fac);
if (k >= N) k = N - 1;
const double dz = rz * ewald_fac - k;
const double tz = 1. - dz;
/* Interpolation in X */
corr[0] = 0.;
corr[0] += fewald_x[(i + 0) * N * N + (j + 0) * N + (k + 0)] * tx * ty * tz;
corr[0] += fewald_x[(i + 0) * N * N + (j + 0) * N + (k + 1)] * tx * ty * dz;
corr[0] += fewald_x[(i + 0) * N * N + (j + 1) * N + (k + 0)] * tx * dy * tz;
corr[0] += fewald_x[(i + 0) * N * N + (j + 1) * N + (k + 1)] * tx * dy * dz;
corr[0] += fewald_x[(i + 1) * N * N + (j + 0) * N + (k + 0)] * dx * ty * tz;
corr[0] += fewald_x[(i + 1) * N * N + (j + 0) * N + (k + 1)] * dx * ty * dz;
corr[0] += fewald_x[(i + 1) * N * N + (j + 1) * N + (k + 0)] * dx * dy * tz;
corr[0] += fewald_x[(i + 1) * N * N + (j + 1) * N + (k + 1)] * dx * dy * dz;
corr[0] *= s_x;
/* Interpolation in Y */
corr[1] = 0.;
corr[1] += fewald_y[(i + 0) * N * N + (j + 0) * N + (k + 0)] * tx * ty * tz;
corr[1] += fewald_y[(i + 0) * N * N + (j + 0) * N + (k + 1)] * tx * ty * dz;
corr[1] += fewald_y[(i + 0) * N * N + (j + 1) * N + (k + 0)] * tx * dy * tz;
corr[1] += fewald_y[(i + 0) * N * N + (j + 1) * N + (k + 1)] * tx * dy * dz;
corr[1] += fewald_y[(i + 1) * N * N + (j + 0) * N + (k + 0)] * dx * ty * tz;
corr[1] += fewald_y[(i + 1) * N * N + (j + 0) * N + (k + 1)] * dx * ty * dz;
corr[1] += fewald_y[(i + 1) * N * N + (j + 1) * N + (k + 0)] * dx * dy * tz;
corr[1] += fewald_y[(i + 1) * N * N + (j + 1) * N + (k + 1)] * dx * dy * dz;
corr[1] *= s_y;
/* Interpolation in Z */
corr[2] = 0.;
corr[2] += fewald_z[(i + 0) * N * N + (j + 0) * N + (k + 0)] * tx * ty * tz;
corr[2] += fewald_z[(i + 0) * N * N + (j + 0) * N + (k + 1)] * tx * ty * dz;
corr[2] += fewald_z[(i + 0) * N * N + (j + 1) * N + (k + 0)] * tx * dy * tz;
corr[2] += fewald_z[(i + 0) * N * N + (j + 1) * N + (k + 1)] * tx * dy * dz;
corr[2] += fewald_z[(i + 1) * N * N + (j + 0) * N + (k + 0)] * dx * ty * tz;
corr[2] += fewald_z[(i + 1) * N * N + (j + 0) * N + (k + 1)] * dx * ty * dz;
corr[2] += fewald_z[(i + 1) * N * N + (j + 1) * N + (k + 0)] * dx * dy * tz;
corr[2] += fewald_z[(i + 1) * N * N + (j + 1) * N + (k + 1)] * dx * dy * dz;
corr[2] *= s_z;
}
/** /**
* @brief Checks whether the file containing the exact accelerations for * @brief Checks whether the file containing the exact accelerations for
* the current choice of parameters already exists. * the current choice of parameters already exists.
...@@ -264,6 +358,12 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts, ...@@ -264,6 +358,12 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts,
if (gpi->id_or_neg_offset % SWIFT_GRAVITY_FORCE_CHECKS == 0 && if (gpi->id_or_neg_offset % SWIFT_GRAVITY_FORCE_CHECKS == 0 &&
gpart_is_active(gpi, e)) { gpart_is_active(gpi, e)) {
/* Get some information about the particle */
const double pix[3] = {gpi->x[0], gpi->x[1], gpi->x[2]};
const double hi = gpi->epsilon;
const double hi_inv = 1. / hi;
const double hi_inv3 = hi_inv * hi_inv * hi_inv;
/* Be ready for the calculation */ /* Be ready for the calculation */
double a_grav[3] = {0., 0., 0.}; double a_grav[3] = {0., 0., 0.};
...@@ -276,9 +376,9 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts, ...@@ -276,9 +376,9 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts,
if (gpi == gpj) continue; if (gpi == gpj) continue;
/* Compute the pairwise distance. */ /* Compute the pairwise distance. */
double dx = gpi->x[0] - gpj->x[0]; double dx = gpj->x[0] - pix[0];
double dy = gpi->x[1] - gpj->x[1]; double dy = gpj->x[1] - pix[1];
double dz = gpi->x[2] - gpj->x[2]; double dz = gpj->x[2] - pix[2];
/* Now apply periodic BC */ /* Now apply periodic BC */
if (periodic) { if (periodic) {
...@@ -288,34 +388,39 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts, ...@@ -288,34 +388,39 @@ void gravity_exact_force_compute_mapper(void *map_data, int nr_gparts,
} }
const double r2 = dx * dx + dy * dy + dz * dz; const double r2 = dx * dx + dy * dy + dz * dz;
const double r = sqrt(r2); const double r_inv = 1. / sqrt(r2);
const double ir = 1. / r; const double r = r2 * r_inv;
const double mj = gpj->mass; const double mj = gpj->mass;
const double hi = gpi->epsilon;
double f; double f;
const double f_lr = 1.;
if (r >= hi) { if (r >= hi) {
/* Get Newtonian gravity */ /* Get Newtonian gravity */
f = mj * ir * ir * ir * f_lr; f = mj * r_inv * r_inv * r_inv;
} else { } else {
const double hi_inv = 1. / hi;
const double hi_inv3 = hi_inv * hi_inv * hi_inv;
const double ui = r * hi_inv; const double ui = r * hi_inv;
double W; double W;
kernel_grav_eval_double(ui, &W); kernel_grav_eval_double(ui, &W);
/* Get softened gravity */ /* Get softened gravity */
f = mj * hi_inv3 * W * f_lr; f = mj * hi_inv3 * W;
} }
a_grav[0] -= f * dx; a_grav[0] += f * dx;
a_grav[1] -= f * dy; a_grav[1] += f * dy;
a_grav[2] -= f * dz; a_grav[2] += f * dz;
/* Apply Ewald correction for periodic BC */
if (periodic) {
double corr[3];
a_grav[0] += mj * corr[0];
a_grav[1] += mj * corr[1];
a_grav[2] += mj * corr[2];
}
} }
/* Store the exact answer */ /* Store the exact answer */
......
src/gravity.h
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...@@ -34,7 +34,7 @@ ...@@ -34,7 +34,7 @@
#include "./gravity/Default/gravity.h" #include "./gravity/Default/gravity.h"
#include "./gravity/Default/gravity_iact.h" #include "./gravity/Default/gravity_iact.h"
void gravity_exact_force_ewald_init(int N, double boxSize); void gravity_exact_force_ewald_init(double boxSize);
void gravity_exact_force_ewald_free(); void gravity_exact_force_ewald_free();
void gravity_exact_force_compute(struct space *s, const struct engine *e); void gravity_exact_force_compute(struct space *s, const struct engine *e);
void gravity_exact_force_check(struct space *s, const struct engine *e, void gravity_exact_force_check(struct space *s, const struct engine *e,
......
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