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Add useful data volume calculation for force kernel

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2021-10-11 16:57:02 +02:00
parent 4e0390404a
commit f295f54fca
5 changed files with 20 additions and 12 deletions
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15
src/main.c
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@@ -47,7 +47,7 @@ typedef enum {
NUMTIMER
} timertype;
extern double computeForce(Parameter*, Atom*, Neighbor*, int, int, int);
extern double computeForce(Parameter*, Atom*, Neighbor*, int, int);
void init(Parameter *param)
{
@@ -206,14 +206,13 @@ int main (int argc, char** argv)
setup(&param, &atom, &neighbor);
computeThermo(0, &param, &atom);
computeForce(&param, &atom, &neighbor, 1, 0, param.every);
computeForce(&param, &atom, &neighbor, 1, 0);
timer[FORCE] = 0.0;
timer[NEIGH] = 0.0;
timer[TOTAL] = getTimeStamp();
for(int n = 0; n < param.ntimes; n++) {
initialIntegrate(&param, &atom);
if((n + 1) % param.every) {
@@ -222,7 +221,7 @@ int main (int argc, char** argv)
timer[NEIGH] += reneighbour(&param, &atom, &neighbor);
}
timer[FORCE] += computeForce(&param, &atom, &neighbor, 0, n + 1, param.every);
timer[FORCE] += computeForce(&param, &atom, &neighbor, 0, n + 1);
finalIntegrate(&param, &atom);
if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {
@@ -247,7 +246,13 @@ int main (int argc, char** argv)
printf(HLINE);
printf("Performance: %.2f million atom updates per second\n",
1e-6 * (double) atom.Natoms * param.ntimes / timer[TOTAL]);
double force_useful_volume = 1e-9 * ( (double)(atom.Nlocal * (param.ntimes + 1)) * (sizeof(MD_FLOAT) * 6 + sizeof(int)) +
(double)(neighbor.totalneighs) * (sizeof(MD_FLOAT) * 3 + sizeof(int)) );
#ifdef EXPLICIT_TYPES
force_useful_volume += 1e-9 * (double)((atom.Nlocal * (param.ntimes + 1)) + neighbor.totalneighs) * sizeof(int);
#endif
printf("total_neighs = %lld/%.2f\n", neighbor.totalneighs, (double)(neighbor.totalneighs));
printf("Useful read data volume for force computation: %.2fGB\n", force_useful_volume);
LIKWID_MARKER_CLOSE;
return EXIT_SUCCESS;
}