diff --git a/Makefile b/Makefile index 28d203e..7eb57ea 100644 --- a/Makefile +++ b/Makefile @@ -21,14 +21,18 @@ else DEFINES += -DPRECISION=2 endif -ifneq ($(INTERNAL_LOOP_NTIMES),) - DEFINES += -DINTERNAL_LOOP_NTIMES=$(INTERNAL_LOOP_NTIMES) +ifneq ($(NEIGHBORS_LOOP_RUNS),) + DEFINES += -DNEIGHBORS_LOOP_RUNS=$(NEIGHBORS_LOOP_RUNS) endif -ifneq ($(EXPLICIT_TYPES),) +ifeq ($(strip $(EXPLICIT_TYPES)),true) DEFINES += -DEXPLICIT_TYPES endif +ifeq ($(strip $(MEM_TRACER)),true) + DEFINES += -DMEM_TRACER +endif + VPATH = $(SRC_DIR) $(ASM_DIR) ASM = $(patsubst $(SRC_DIR)/%.c, $(BUILD_DIR)/%.s,$(wildcard $(SRC_DIR)/*.c)) OVERWRITE:= $(patsubst $(ASM_DIR)/%-new.s, $(BUILD_DIR)/%.o,$(wildcard $(ASM_DIR)/*-new.s)) @@ -40,6 +44,7 @@ CPPFLAGS := $(CPPFLAGS) $(DEFINES) $(OPTIONS) $(INCLUDES) ifneq ($(VARIANT),) .DEFAULT_GOAL := ${TARGET}-$(VARIANT) + DEFINES += -DVARIANT=$(VARIANT) endif ${TARGET}: $(BUILD_DIR) $(OBJ) $(SRC_DIR)/main.c diff --git a/config.mk b/config.mk index c6b8e36..7149b81 100644 --- a/config.mk +++ b/config.mk @@ -6,6 +6,13 @@ DATA_TYPE ?= DP # AOS or SOA DATA_LAYOUT ?= AOS +# Number of times to run the neighbors loop +NEIGHBORS_LOOP_RUNS ?= 1 +# Explicitly store and load atom types +EXPLICIT_TYPES ?= false +# Trace memory addresses for cache simulator +MEM_TRACER ?= false + #Feature options OPTIONS = -DALIGNMENT=64 #OPTIONS += More options diff --git a/src/force.c b/src/force.c index d1dda58..bc03f09 100644 --- a/src/force.c +++ b/src/force.c @@ -27,7 +27,22 @@ #include #include -double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor, int ntimes) { +#ifndef TRACER_PRINT +# include +# ifdef MEM_TRACER +# define TRACER_INIT FILE *tracer_fp; \ + if(first_exec) { tracer_fp = fopen("mem_tracer.out", "w"); } +# define TRACER_END if(first_exec) { fclose(tracer_fp); } +# define TRACER_PRINT(addr, op) if(first_exec) { fprintf(tracer_fp, "%c: %p\n", op, (void *)(addr)); } +# else +# define TRACER_INIT +# define TRACER_END +# define TRACER_PRINT(addr, op) +# endif +#endif + +double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor, int first_exec) { + TRACER_INIT; double S = getTimeStamp(); int Nlocal = atom->Nlocal; int* neighs; @@ -54,23 +69,41 @@ double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor, int ntimes MD_FLOAT fix = 0; MD_FLOAT fiy = 0; MD_FLOAT fiz = 0; + + TRACER_PRINT(&atom_x(i), 'R'); + TRACER_PRINT(&atom_y(i), 'R'); + TRACER_PRINT(&atom_z(i), 'R'); + #ifdef EXPLICIT_TYPES const int type_i = atom->type[i]; + TRACER_PRINT(&atom->type(i), 'R'); + #endif + + #if VARIANT == stub && defined(NEIGHBORS_LOOP_RUNS) && NEIGHBORS_LOOP_RUNS > 1 + #define REPEAT_NEIGHBORS_LOOP + int nmax = first_exec ? 1 : NEIGHBORS_LOOP_RUNS; + for(int n = 0; n < nmax; n++) { #endif - for(int n = 0; n < ntimes; n++) { for(int k = 0; k < numneighs; k++) { int j = neighs[k]; MD_FLOAT delx = xtmp - atom_x(j); MD_FLOAT dely = ytmp - atom_y(j); MD_FLOAT delz = ztmp - atom_z(j); MD_FLOAT rsq = delx * delx + dely * dely + delz * delz; + + TRACER_PRINT(&neighs[k], 'R'); + TRACER_PRINT(&atom_x(j), 'R'); + TRACER_PRINT(&atom_y(j), 'R'); + TRACER_PRINT(&atom_z(j), 'R'); + #ifdef EXPLICIT_TYPES const int type_j = atom->type[j]; const int type_ij = type_i * atom->ntypes + type_j; const MD_FLOAT cutforcesq = atom->cutforcesq[type_ij]; const MD_FLOAT sigma6 = atom->sigma6[type_ij]; const MD_FLOAT epsilon = atom->epsilon[type_ij]; + TRACER_PRINT(&atom->type(j), 'R'); #endif if(rsq < cutforcesq) { @@ -82,13 +115,21 @@ double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor, int ntimes fiz += delz * force; } } + + #ifdef REPEAT_NEIGHBORS_LOOP } + #endif fx[i] += fix; fy[i] += fiy; fz[i] += fiz; + + TRACER_PRINT(&fx[i], 'W'); + TRACER_PRINT(&fy[i], 'W'); + TRACER_PRINT(&fz[i], 'W'); } double E = getTimeStamp(); + TRACER_END; return E-S; } diff --git a/src/includes/parameter.h b/src/includes/parameter.h index 0ddec95..fb5d8b4 100644 --- a/src/includes/parameter.h +++ b/src/includes/parameter.h @@ -29,11 +29,6 @@ #define MD_FLOAT double #endif -// Number of times to compute the most internal loop -#ifndef INTERNAL_LOOP_NTIMES -#define INTERNAL_LOOP_NTIMES 1 -#endif - typedef struct { MD_FLOAT epsilon; MD_FLOAT sigma6; diff --git a/src/main-stub.c b/src/main-stub.c index e7493b8..c577f6a 100644 --- a/src/main-stub.c +++ b/src/main-stub.c @@ -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*, int); void init(Parameter *param) { param->epsilon = 1.0; @@ -191,7 +191,7 @@ int main(int argc, const char *argv[]) { if(!csv) { printf("Number of timesteps: %d\n", param.ntimes); - printf("Number of times to compute the most internal loop: %d\n", INTERNAL_LOOP_NTIMES); + printf("Number of times to compute the neighbors loop: %d\n", NEIGHBORS_LOOP_RUNS); printf("System size (unit cells): %dx%dx%d\n", param.nx, param.ny, param.nz); printf("Atoms per unit cell: %d\n", atoms_per_unit_cell); printf("Total number of atoms: %d\n", atom->Nlocal); @@ -213,13 +213,13 @@ int main(int argc, const char *argv[]) { S = getTimeStamp(); LIKWID_MARKER_START("force"); for(int i = 0; i < param.ntimes; i++) { - computeForce(¶m, atom, &neighbor, INTERNAL_LOOP_NTIMES); + computeForce(¶m, atom, &neighbor, 0); } LIKWID_MARKER_STOP("force"); E = getTimeStamp(); double T_accum = E-S; - const double atoms_updates_per_sec = (double)(atom->Nlocal) / T_accum * (double)(param.ntimes * INTERNAL_LOOP_NTIMES); - const double cycles_per_atom = T_accum / (double)(atom->Nlocal) / (double)(param.ntimes * INTERNAL_LOOP_NTIMES) * freq; + const double atoms_updates_per_sec = (double)(atom->Nlocal) / T_accum * (double)(param.ntimes * NEIGHBORS_LOOP_RUNS); + const double cycles_per_atom = T_accum / (double)(atom->Nlocal) / (double)(param.ntimes * NEIGHBORS_LOOP_RUNS) * freq; const double cycles_per_neigh = cycles_per_atom / (double)(atoms_per_unit_cell - 1); if(!csv) { diff --git a/src/main.c b/src/main.c index 061da97..349eeda 100644 --- a/src/main.c +++ b/src/main.c @@ -47,7 +47,7 @@ typedef enum { NUMTIMER } timertype; -extern double computeForce( Parameter*, Atom*, Neighbor*, int); +extern double computeForce(Parameter*, Atom*, Neighbor*, int); void init(Parameter *param) { @@ -222,7 +222,7 @@ int main (int argc, char** argv) timer[NEIGH] += reneighbour(¶m, &atom, &neighbor); } - timer[FORCE] += computeForce(¶m, &atom, &neighbor, 1); + timer[FORCE] += computeForce(¶m, &atom, &neighbor, 0); finalIntegrate(¶m, &atom); if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {