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Add average atoms per cluster on stats

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti 2022-02-09 17:50:54 +01:00
parent 769bab0faa
commit ca7775a62a
1 changed files with 2 additions and 0 deletions
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gromacs/stats.c
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@ -14,6 +14,7 @@ void initStats(Stats *s) {
void displayStatistics(Atom *atom, Parameter *param, Stats *stats, double *timer) {
#ifdef COMPUTE_STATS
const int MxN = CLUSTER_DIM_M * CLUSTER_DIM_N;
double avg_atoms_cluster = (double)(atom->Nlocal) / (double)(atom->Nclusters_local);
double force_useful_volume = 1e-9 * ( (double)(atom->Nlocal * (param->ntimes + 1)) * (sizeof(MD_FLOAT) * 6 + sizeof(int)) +
(double)(stats->num_neighs) * (sizeof(MD_FLOAT) * 3 + sizeof(int)) );
double avg_neigh_atom = (stats->num_neighs * CLUSTER_DIM_N) / (double)(atom->Nlocal * (param->ntimes + 1));
@ -24,6 +25,7 @@ void displayStatistics(Atom *atom, Parameter *param, Stats *stats, double *timer
#endif
printf("Statistics:\n");
printf("\tVector width: %d, Processor frequency: %.4f GHz\n", VECTOR_WIDTH, param->proc_freq);
printf("\tAverage atoms per cluster: %.4f\n", avg_atoms_cluster);
printf("\tAverage neighbors per atom: %.4f\n", avg_neigh_atom);
printf("\tAverage neighbors per cluster: %.4f\n", avg_neigh_cluster);
printf("\tAverage SIMD iterations per atom: %.4f\n", avg_simd);