From ca7775a62a93f3ebe440f8a6ca2ab99f8446ceaf Mon Sep 17 00:00:00 2001 From: Rafael Ravedutti Date: Wed, 9 Feb 2022 17:50:54 +0100 Subject: [PATCH] Add average atoms per cluster on stats Signed-off-by: Rafael Ravedutti --- gromacs/stats.c | 2 ++ 1 file changed, 2 insertions(+) diff --git a/gromacs/stats.c b/gromacs/stats.c index b28732e..562a9fa 100644 --- a/gromacs/stats.c +++ b/gromacs/stats.c @@ -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);