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Add ATOMS_LOOP_RUNS option and statistics to stub variant

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2021-10-12 22:39:54 +02:00
parent 55d346510e
commit 43ba28e130
7 changed files with 137 additions and 99 deletions
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34
src/main-stub.c
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@@ -8,15 +8,17 @@
#include <neighbor.h>
#include <parameter.h>
#include <atom.h>
#include <stats.h>
#include <thermo.h>
#include <pbc.h>
#include <timers.h>
#define HLINE "----------------------------------------------------------------------------\n"
#define LATTICE_DISTANCE 10.0
#define NEIGH_DISTANCE 1.0
extern double computeForce(Parameter*, Atom*, Neighbor*, int, int);
extern double computeForce(Parameter*, Atom*, Neighbor*, Stats*, int, int);
void init(Parameter *param) {
param->epsilon = 1.0;
@@ -37,6 +39,7 @@ void init(Parameter *param) {
param->nstat = 100;
param->temp = 1.44;
param->every = 20;
param->proc_freq = 0.0;
}
// Show debug messages
@@ -56,10 +59,10 @@ int main(int argc, const char *argv[]) {
Atom atom_data;
Atom *atom = (Atom *)(&atom_data);
Neighbor neighbor;
Stats stats;
Parameter param;
int atoms_per_unit_cell = 8;
int csv = 0;
double freq = 0.0;
LIKWID_MARKER_INIT;
LIKWID_MARKER_REGISTER("force");
@@ -95,7 +98,7 @@ int main(int argc, const char *argv[]) {
}
if((strcmp(argv[i], "-f") == 0))
{
freq = atof(argv[++i]) * 1.E9;
param.proc_freq = atof(argv[++i]);
continue;
}
if((strcmp(argv[i], "-csv") == 0))
@@ -123,6 +126,7 @@ int main(int argc, const char *argv[]) {
DEBUG("Initializing atoms...\n");
initAtom(atom);
initStats(&stats);
#ifdef EXPLICIT_TYPES
atom->ntypes = param.ntypes;
@@ -191,6 +195,7 @@ int main(int argc, const char *argv[]) {
if(!csv) {
printf("Number of timesteps: %d\n", param.ntimes);
printf("Number of times to compute the atoms loop: %d\n", ATOMS_LOOP_RUNS);
printf("Number of times to compute the neighbors loop: %d\n", NEIGHBORS_LOOP_RUNS);
printf("System size (unit cells): %dx%dx%d\n", param.nx, param.ny, param.nz);
printf("Atoms per unit cell: %d\n", atoms_per_unit_cell);
@@ -207,41 +212,46 @@ int main(int argc, const char *argv[]) {
DEBUG("Building neighbor lists...\n");
buildNeighbor(atom, &neighbor);
DEBUG("Computing forces...\n");
computeForce(&param, atom, &neighbor, 1, 0);
computeForce(&param, atom, &neighbor, &stats, 1, 1);
double S, E;
S = getTimeStamp();
for(int i = 0; i < param.ntimes; i++) {
computeForce(&param, atom, &neighbor, 0, i + 1);
computeForce(&param, atom, &neighbor, &stats, 0, i + 1);
}
E = getTimeStamp();
double T_accum = E-S;
const double atoms_updates_per_sec = (double)(atom->Nlocal) / T_accum * (double)(param.ntimes * NEIGHBORS_LOOP_RUNS);
const double cycles_per_atom = T_accum / (double)(atom->Nlocal) / (double)(param.ntimes * NEIGHBORS_LOOP_RUNS) * freq;
double freq_hz = param.proc_freq * 1.e9;
const double repeats = ATOMS_LOOP_RUNS * NEIGHBORS_LOOP_RUNS;
const double atoms_updates_per_sec = (double)(atom->Nlocal) / T_accum * (double)(param.ntimes * repeats);
const double cycles_per_atom = T_accum / (double)(atom->Nlocal) / (double)(param.ntimes * repeats) * freq_hz;
const double cycles_per_neigh = cycles_per_atom / (double)(atoms_per_unit_cell - 1);
if(!csv) {
printf("Total time: %.4f, Mega atom updates/s: %.4f\n", T_accum, atoms_updates_per_sec / 1.E6);
if(freq > 0.0) {
printf("Total time: %.4f, Mega atom updates/s: %.4f\n", T_accum, atoms_updates_per_sec / 1.e6);
if(param.proc_freq > 0.0) {
printf("Cycles per atom: %.4f, Cycles per neighbor: %.4f\n", cycles_per_atom, cycles_per_neigh);
}
} else {
printf("steps,unit cells,atoms/unit cell,total atoms,total vol.(kB),atoms vol.(kB),neigh vol.(kB),time(s),atom upds/s(M)");
if(freq > 0.0) {
if(param.proc_freq > 0.0) {
printf(",cy/atom,cy/neigh");
}
printf("\n");
printf("%d,%dx%dx%d,%d,%d,%.4f,%.4f,%.4f,%.4f,%.4f",
param.ntimes, param.nx, param.ny, param.nz, atoms_per_unit_cell, atom->Nlocal,
estim_volume / 1.E3, estim_atom_volume / 1.E3, estim_neighbors_volume / 1.E3, T_accum, atoms_updates_per_sec / 1.E6);
estim_volume / 1.e3, estim_atom_volume / 1.e3, estim_neighbors_volume / 1.e3, T_accum, atoms_updates_per_sec / 1.e6);
if(freq > 0.0) {
if(param.proc_freq > 0.0) {
printf(",%.4f,%.4f", cycles_per_atom, cycles_per_neigh);
}
printf("\n");
}
double timer[NUMTIMER];
timer[FORCE] = T_accum;
displayStatistics(atom, &param, &stats, timer);
LIKWID_MARKER_CLOSE;
return EXIT_SUCCESS;
}