moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Merge branch 'master' of github.com:RRZE-HPC/MD-Bench

Browse Source
This commit is contained in:
Rafael Ravedutti 2023-12-13 10:52:55 +01:00
commit 1837403326
2 changed files with 20 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
gromacs/main.c
View File

@ -6,6 +6,7 @@
*/ */
#include <stdio.h> #include <stdio.h>
#include <math.h> #include <math.h>
#include <omp.h>
//-- //--
#include <likwid-marker.h> #include <likwid-marker.h>
//-- //--
@ -308,6 +309,15 @@ int main(int argc, char** argv) {
printf("TOTAL %.2fs FORCE %.2fs NEIGH %.2fs REST %.2fs\n", printf("TOTAL %.2fs FORCE %.2fs NEIGH %.2fs REST %.2fs\n",
timer[TOTAL], timer[FORCE], timer[NEIGH], timer[TOTAL]-timer[FORCE]-timer[NEIGH]); timer[TOTAL], timer[FORCE], timer[NEIGH], timer[TOTAL]-timer[FORCE]-timer[NEIGH]);
printf(HLINE); printf(HLINE);
int nthreads = 0;
#pragma omp parallel
{
nthreads = omp_get_num_threads();
}
printf("Num threads: %d\n", nthreads);
printf("Performance: %.2f million atom updates per second\n", printf("Performance: %.2f million atom updates per second\n",
1e-6 * (double) atom.Natoms * param.ntimes / timer[TOTAL]); 1e-6 * (double) atom.Natoms * param.ntimes / timer[TOTAL]);
#ifdef COMPUTE_STATS #ifdef COMPUTE_STATS

10
lammps/main.c
View File

@ -11,6 +11,7 @@
#include <limits.h> #include <limits.h>
#include <math.h> #include <math.h>
#include <float.h> #include <float.h>
#include <omp.h>
#include <likwid-marker.h> #include <likwid-marker.h>
@ -292,6 +293,15 @@ int main(int argc, char** argv) {
printf("TOTAL %.2fs FORCE %.2fs NEIGH %.2fs REST %.2fs\n", printf("TOTAL %.2fs FORCE %.2fs NEIGH %.2fs REST %.2fs\n",
timer[TOTAL], timer[FORCE], timer[NEIGH], timer[TOTAL]-timer[FORCE]-timer[NEIGH]); timer[TOTAL], timer[FORCE], timer[NEIGH], timer[TOTAL]-timer[FORCE]-timer[NEIGH]);
printf(HLINE); printf(HLINE);
int nthreads = 0;
#pragma omp parallel
{
nthreads = omp_get_num_threads();
}
printf("Num threads: %d\n", nthreads);
printf("Performance: %.2f million atom updates per second\n", printf("Performance: %.2f million atom updates per second\n",
1e-6 * (double) atom.Natoms * param.ntimes / timer[TOTAL]); 1e-6 * (double) atom.Natoms * param.ntimes / timer[TOTAL]);
#ifdef COMPUTE_STATS #ifdef COMPUTE_STATS