static void omp_force (sotl_device_t *dev)
{
sotl_atom_set_t *set = &dev->atom_set;
tri(set);
#pragma omp parallel num_threads(NB_THREAD )
#pragma omp for schedule(static)
for (int current = 0; current < (int)set->natoms; current++) {
calc_t force[3] = { 0.0, 0.0, 0.0 };
//atome Z supperieur
for(int other = current-1;other>-1;other--){
if(abs(set->pos.z[current]-set->pos.z[other]) > LENNARD_SQUARED_CUTOFF){
break;
}else{
calc_t sq_dist = squared_distance (set, current, other);
if (sq_dist < LENNARD_SQUARED_CUTOFF) {
calc_t intensity = lennard_jones (sq_dist);
force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
force[1] += intensity * (set->pos.x[set->offset + current] -
set->pos.x[set->offset + other]);
force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
set->pos.x[set->offset * 2 + other]);
}
}
}
//atome Z inferieur
for(int other = current+1;other<(int)set->natoms;other++){
if(abs(set->pos.z[current]-set->pos.z[other]) > LENNARD_SQUARED_CUTOFF){
break;
}else{
calc_t sq_dist = squared_distance (set, current, other);
if (sq_dist < LENNARD_SQUARED_CUTOFF) {
calc_t intensity = lennard_jones (sq_dist);
force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
force[1] += intensity * (set->pos.x[set->offset + current] -
set->pos.x[set->offset + other]);
force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
set->pos.x[set->offset * 2 + other]);
}
}
}
set->speed.dx[current] += force[0];
set->speed.dx[set->offset + current] += force[1];
set->speed.dx[set->offset * 2 + current] += force[2];
}
}
static void omp_force (sotl_device_t *dev)
{
sotl_atom_set_t *set = &dev->atom_set;
for (unsigned current = 0; current < set->natoms; current++) {
calc_t force[3] = { 0.0, 0.0, 0.0 };
for (unsigned other = 0; other < set->natoms; other++)
if (current != other) {
calc_t sq_dist = squared_distance (set, current, other);
if (sq_dist < LENNARD_SQUARED_CUTOFF) {
calc_t intensity = lennard_jones (sq_dist);
force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
force[1] += intensity * (set->pos.x[set->offset + current] -
set->pos.x[set->offset + other]);
force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
set->pos.x[set->offset * 2 + other]);
}
}
set->speed.dx[current] += force[0];
set->speed.dx[set->offset + current] += force[1];
set->speed.dx[set->offset * 2 + current] += force[2];
}
}
static void omp_force (sotl_device_t *dev)
{
struct timeval tv1,tv2;
sotl_atom_set_t *set = &dev->atom_set;
gettimeofday(&tv1,NULL);
int start_ind, end_ind;
#pragma omp parallel for
for (unsigned current = 0; current < set->natoms; current++)
{
calc_t force[3] = { 0.0, 0.0, 0.0 };
//
// }
// /*Version naive*/
// for (unsigned other = 0; other < set->natoms; other++)
// if (current != other)
// {
// calc_t sq_dist = squared_distance (set, current, other);
//
// if (sq_dist < LENNARD_SQUARED_CUTOFF)
// {
// calc_t intensity = lennard_jones (sq_dist);
//
// force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
// force[1] += intensity * (set->pos.x[set->offset + current] -
// set->pos.x[set->offset + other]);
// force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
// set->pos.x[set->offset * 2 + other]);
// }
//
// }
/* Fin version naive */
/**
* Version Tri par boites :
*/
unsigned other;
int box_id_current = atom_box_calc(dev, current);
if (is_valid_box(dev, box_id_current))
{
for (int i = -1; i<2; i++)
{
for (int j = -1; j<2; j++)
{
for (int k = -1; k<2; k++)
{
int box_id_other = get_neighbour(dev, box_id_current, i, j, k);
if (is_valid_box(dev, box_id_other))
{
start_ind = box_count_cummul[box_id_other];
end_ind = box_count_cummul[box_id_other-1];
int size = start_ind - end_ind;
for (int l = 0; l < size; l++)
{
other = box_count_cummul[box_id_other]-l-1;
if (other != current)
{
calc_t sq_dist = squared_distance (set, current, other);
if (sq_dist < LENNARD_SQUARED_CUTOFF)
{
calc_t intensity = lennard_jones (sq_dist);
force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
force[1] += intensity * (set->pos.x[set->offset + current] -
set->pos.x[set->offset + other]);
force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
set->pos.x[set->offset * 2 + other]);
}
}
}
}
}
}
}
}
/*Fin version Tri par Boites */
/** Version Tri par Z :
*/
// for (unsigned other = current+1; other < set->natoms && ((set->pos.z[other] - set->pos.z[current]) < LENNARD_CUTOFF); other++)
// {
// //Now takes the atoms near from current according to the sorted array
// if (current != other)
// {
// calc_t sq_dist = squared_distance (set, current, other);
//
// if (sq_dist < LENNARD_SQUARED_CUTOFF)
// {
// calc_t intensity = lennard_jones (sq_dist);
//
// force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
// force[1] += intensity * (set->pos.x[set->offset + current] -
// set->pos.x[set->offset + other]);
// force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
// set->pos.x[set->offset * 2 + other]);
// }
// }
// }
// for (unsigned other = current; other > 0 && ((set->pos.z[current] - set->pos.z[other-1]) < LENNARD_CUTOFF); other--)
// {
// //Now takes the atoms near from current according to the sorted array
// if (current != other-1)
// {
// calc_t sq_dist = squared_distance (set, current, other-1);
//
// if (sq_dist < LENNARD_SQUARED_CUTOFF)
// {
// calc_t intensity = lennard_jones (sq_dist);
//
// force[0] += intensity * (set->pos.x[current] - set->pos.x[other-1]);
// force[1] += intensity * (set->pos.x[set->offset + current] -
// set->pos.x[set->offset + other-1]);
// force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
// set->pos.x[set->offset * 2 + other-1]);
// }
// }
// }
/*Fin version Tri par Z */
set->speed.dx[current] += force[0];
set->speed.dx[set->offset + current] += force[1];
set->speed.dx[set->offset * 2 + current] += force[2];
}
gettimeofday(&tv2,NULL);
time_force += (float)TIME_DIFF(tv1,tv2);
}
void omp_force_cube(sotl_device_t *dev){
sotl_atom_set_t *set = &dev->atom_set;
sotl_domain_t *domain = &dev->domain;
sotl_atom_set_t *in = malloc(sizeof(sotl_atom_set_t));
atom_set_init(in,set->natoms,set->offset);
for(int i=0; i<(int)set->natoms; i++){
atom_set_add(in,set->pos.x[i],set->pos.y[i],set->pos.z[i],set->speed.dx[i],set->speed.dy[i],set->speed.dz[i]);
}
int NbCubes = (int) domain->total_boxes;
int* boite= calloc(NbCubes,sizeof(int));
int* boiten= calloc(NbCubes,sizeof(int));
for(int i= 0; i < (int)in->natoms; i++){
int numb =atom_get_num_box(domain,in->pos.x[i],in->pos.y[i],in->pos.z[i],LENNARD_SQUARED_CUTOFF);
boite[numb]++;
boiten[numb]++;
}
for (int i = 1; i < NbCubes; i++){
boite[i] += boite[i-1];
}
for(int i = 0; i < (int)in->natoms; i++){
int numb =atom_get_num_box(domain,in->pos.x[i],in->pos.y[i],in->pos.z[i],LENNARD_SQUARED_CUTOFF);
int indice = boite[numb-1]+boiten[numb]-1;
set->pos.x[indice]=in->pos.x[i];
set->pos.y[indice]=in->pos.y[i];
set->pos.z[indice]=in->pos.z[i];
set->speed.dx[indice]=in->speed.dx[i];
set->speed.dy[indice]=in->speed.dy[i];
set->speed.dz[indice]=in->speed.dz[i];
boiten[numb]--;
}
#pragma omp parallel num_threads(NB_THREAD )
#pragma omp for schedule(static)
for (int current = 0; current < (int)set->natoms; current++) {
calc_t force[3] = { 0.0, 0.0, 0.0 };
int bx =(int)((set->pos.x[current] - domain->min_border[0]) *LENNARD_SQUARED_CUTOFF);
int by =(int)((set->pos.y[current] - domain->min_border[1]) *LENNARD_SQUARED_CUTOFF);
int bz =(int)((set->pos.z[current] - domain->min_border[2]) *LENNARD_SQUARED_CUTOFF);
for(int z =(bz==0)?bz:bz-1; z<= bz+1 && z<(int)domain->boxes[2]; z++){
for(int y=(by==0)?by:by-1; y<= by+1 && y<(int)domain->boxes[1]; y++){
for(int x=(bx==0)?bx:bx-1;x<=bx+1 && x<(int)domain->boxes[0];x++){
int numb = z * domain->boxes[0]* domain->boxes[1] + y * domain->boxes[0] + x;
for(int other =(numb==0)?boite[0]:boite[numb-1]; other<boite[numb]; other++){
if(current != other){
calc_t sq_dist = squared_distance (set, current, other);
if (sq_dist < LENNARD_SQUARED_CUTOFF) {
calc_t intensity = lennard_jones (sq_dist);
force[0] += intensity * (set->pos.x[current] - set->pos.x[other]);
force[1] += intensity * (set->pos.x[set->offset + current] -
set->pos.x[set->offset + other]);
force[2] += intensity * (set->pos.x[set->offset * 2 + current] -
set->pos.x[set->offset * 2 + other]);
}
}
}
}
}
}
set->speed.dx[current] += force[0];
set->speed.dx[set->offset + current] += force[1];
set->speed.dx[set->offset * 2 + current] += force[2];
}
free(boiten);
atom_set_free(in);
free(in);
free(boite);
}
