moebiusband/MD-Bench
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Add version iterating most internal loop multiple times

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2021-05-05 03:04:41 +02:00
parent faf1e2ae85
commit 15de65303e
7 changed files with 247 additions and 35 deletions
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10
src/main-stub.c
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@@ -16,7 +16,7 @@
#define LATTICE_DISTANCE 10.0
#define NEIGH_DISTANCE 1.0
extern double computeForce( Parameter*, Atom*, Neighbor*, int);
extern double computeForce( Parameter*, Atom*, Neighbor*);
void init(Parameter *param) {
param->epsilon = 1.0;
@@ -188,19 +188,19 @@ int main(int argc, const char *argv[]) {
DEBUG("Building neighbor lists...\n");
buildNeighbor(atom, &neighbor);
DEBUG("Computing forces...\n");
computeForce(&param, atom, &neighbor, 0);
computeForce(&param, atom, &neighbor);
double S, E;
S = getTimeStamp();
LIKWID_MARKER_START("force");
for(int i = 0; i < param.ntimes; i++) {
computeForce(&param, atom, &neighbor, 1);
computeForce(&param, atom, &neighbor);
}
LIKWID_MARKER_STOP("force");
E = getTimeStamp();
double T_accum = E-S;
const double atoms_updates_per_sec = atom->Nlocal * param.ntimes / T_accum;
const double cycles_per_atom = T_accum * freq / (atom->Nlocal * param.ntimes);
const double atoms_updates_per_sec = (double)(atom->Nlocal * INTERNAL_LOOP_NTIMES * param.ntimes) / T_accum;
const double cycles_per_atom = T_accum * freq / (double)(atom->Nlocal * param.ntimes * INTERNAL_LOOP_NTIMES);
const double cycles_per_neigh = cycles_per_atom / (double)(atoms_per_unit_cell - 1);
if(!csv) {