From 6a35a7a482e0d140af22b797187e7d4b2cb77188 Mon Sep 17 00:00:00 2001 From: Rafael Ravedutti Date: Tue, 8 Feb 2022 00:55:27 +0100 Subject: [PATCH] Update stats for cluster version Signed-off-by: Rafael Ravedutti --- gromacs/force_lj.c | 9 +++++---- gromacs/includes/stats.h | 5 +++-- gromacs/stats.c | 24 ++++++++++++++---------- 3 files changed, 22 insertions(+), 16 deletions(-) diff --git a/gromacs/force_lj.c b/gromacs/force_lj.c index 2fb3158..cdd6b82 100644 --- a/gromacs/force_lj.c +++ b/gromacs/force_lj.c @@ -93,8 +93,8 @@ double computeForceLJ_ref(Parameter *param, Atom *atom, Neighbor *neighbor, Stat } } - addStat(stats->total_force_neighs, numneighs); - addStat(stats->total_force_iters, (numneighs + VECTOR_WIDTH - 1) / VECTOR_WIDTH); + addStat(stats->num_neighs, numneighs); + addStat(stats->force_iters, (numneighs + VECTOR_WIDTH - 1) / VECTOR_WIDTH); } LIKWID_MARKER_STOP("force"); @@ -248,8 +248,9 @@ double computeForceLJ_4xn(Parameter *param, Atom *atom, Neighbor *neighbor, Stat cluster_y(cifptr, 3) = simd_horizontal_sum(fiy3); cluster_z(cifptr, 3) = simd_horizontal_sum(fiz3); - addStat(stats->total_force_neighs, numneighs * CLUSTER_DIM_M * CLUSTER_DIM_N); - addStat(stats->total_force_iters, numneighs / 2); + addStat(stats->calculated_forces, 1); + addStat(stats->num_neighs, numneighs); + addStat(stats->force_iters, numneighs / 2); } LIKWID_MARKER_STOP("force"); diff --git a/gromacs/includes/stats.h b/gromacs/includes/stats.h index 231119b..9c61788 100644 --- a/gromacs/includes/stats.h +++ b/gromacs/includes/stats.h @@ -26,8 +26,9 @@ #ifndef __STATS_H_ #define __STATS_H_ typedef struct { - long long int total_force_neighs; - long long int total_force_iters; + long long int calculated_forces; + long long int num_neighs; + long long int force_iters; } Stats; void initStats(Stats *s); diff --git a/gromacs/stats.c b/gromacs/stats.c index defaeac..b28732e 100644 --- a/gromacs/stats.c +++ b/gromacs/stats.c @@ -6,26 +6,30 @@ #include void initStats(Stats *s) { - s->total_force_neighs = 0; - s->total_force_iters = 0; + s->calculated_forces = 0; + s->num_neighs = 0; + s->force_iters = 0; } void displayStatistics(Atom *atom, Parameter *param, Stats *stats, double *timer) { #ifdef COMPUTE_STATS + const int MxN = CLUSTER_DIM_M * CLUSTER_DIM_N; 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)); + (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)); + double avg_neigh_cluster = (double)(stats->num_neighs) / (double)(stats->calculated_forces); + double avg_simd = stats->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); + force_useful_volume += 1e-9 * (double)((atom->Nlocal * (param->ntimes + 1)) + stats->num_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 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); - 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("\tTotal number of computed pair interactions: %lld\n", stats->num_neighs * MxN); + printf("\tTotal number of SIMD iterations: %lld\n", stats->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); + printf("\tCycles/SIMD iteration: %.4f\n", timer[FORCE] * param->proc_freq * 1e9 / stats->force_iters); #endif }