moebiusband/MD-Bench
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Add ATOMS_LOOP_RUNS option and statistics to stub variant

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2021-10-12 22:39:54 +02:00
parent 55d346510e
commit 43ba28e130
7 changed files with 137 additions and 99 deletions
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24
src/main.c
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@@ -38,16 +38,10 @@
#include <stats.h>
#include <thermo.h>
#include <pbc.h>
#include <timers.h>
#define HLINE "----------------------------------------------------------------------------\n"
typedef enum {
TOTAL = 0,
NEIGH,
FORCE,
NUMTIMER
} timertype;
extern double computeForce(Parameter*, Atom*, Neighbor*, Stats*, int, int);
void init(Parameter *param)
@@ -257,21 +251,7 @@ 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]);
#ifdef COMPUTE_STATS
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)) );
#ifdef EXPLICIT_TYPES
force_useful_volume += 1e-9 * (double)((atom.Nlocal * (param.ntimes + 1)) + stats.total_force_neighs) * sizeof(int);
#endif
printf("Statistics:\n");
printf("\tVector width: %d, Processor frequency: %.4f GHz\n", VECTOR_WIDTH, param.proc_freq);
printf("\tTotal number of computed pair interactions: %lld\n", stats.total_force_neighs);
printf("\tTotal number of most SIMD iterations: %lld\n", stats.total_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);
#endif
displayStatistics(&atom, &param, &stats, timer);
LIKWID_MARKER_CLOSE;
return EXIT_SUCCESS;
}