#include #include #include #include #include void initStats(Stats *s) { s->total_force_neighs = 0; s->total_force_iters = 0; s->atoms_within_cutoff = 0; s->atoms_outside_cutoff = 0; } void displayStatistics(Atom *atom, Parameter *param, Stats *stats, double *timer) { #ifdef COMPUTE_STATS double force_useful_volume = 1e-9 * ( (double)(atom->Nlocal * (param->ntimes + 1)) * (sizeof(MD_FLOAT) * 6 + sizeof(int)) + (double)(stats->total_force_neighs) * (sizeof(MD_FLOAT) * 3 + sizeof(int)) ); double avg_neigh = stats->total_force_neighs / (double)(atom->Nlocal * (param->ntimes + 1)); double avg_simd = stats->total_force_iters / (double)(atom->Nlocal * (param->ntimes + 1)); #ifdef EXPLICIT_TYPES force_useful_volume += 1e-9 * (double)((atom->Nlocal * (param->ntimes + 1)) + stats->total_force_neighs) * sizeof(int); #endif printf("Statistics:\n"); printf("\tVector width: %d, Processor frequency: %.4f GHz\n", VECTOR_WIDTH, param->proc_freq); printf("\tAverage neighbors per atom: %.4f\n", avg_neigh); printf("\tAverage SIMD iterations per atom: %.4f\n", avg_simd); printf("\tTotal number of computed pair interactions: %lld\n", stats->total_force_neighs); printf("\tTotal number of SIMD iterations: %lld\n", stats->total_force_iters); printf("\tUseful read data volume for force computation: %.2fGB\n", force_useful_volume); printf("\tCycles/SIMD iteration: %.4f\n", timer[FORCE] * param->proc_freq * 1e9 / stats->total_force_iters); #ifdef USE_REFERENCE_VERSION const double eff_pct = (double)stats->atoms_within_cutoff / (double)(stats->atoms_within_cutoff + stats->atoms_outside_cutoff) * 100.0; printf("\tAtoms within/outside cutoff radius: %lld/%lld (%.2f%%)\n", stats->atoms_within_cutoff, stats->atoms_outside_cutoff, eff_pct); #endif #endif }