X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe_fast.c;fp=potentials%2Falbe_fast.c;h=603606e6b9ce081e108f64d7b33f544d009e35d9;hb=815b8841eb76564b2f90421d4eae180253453106;hp=952f1fe41d4dee5e69c816bee96f9906d44228de;hpb=4b18a09781c27d786c32a5ada98929c4c2e38f4b;p=physik%2Fposic.git

diff --git a/potentials/albe_fast.c b/potentials/albe_fast.c
index 952f1fe..603606e 100644
--- a/potentials/albe_fast.c
+++ b/potentials/albe_fast.c
@@ -703,7 +703,7 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 
 typedef struct s_pft_data {
 	t_moldyn *moldyn;
-	int i;
+	int start,end;
 } t_pft_data;
 
 void *potential_force_thread(void *ptr) {
@@ -785,14 +785,12 @@ void *potential_force_thread(void *ptr) {
 	// optimized
 	params=moldyn->pot_params;
 
+	/* get energy, force and virial for atoms */
 
-	/* get energy, force and virial of every atom */
-
-	/* first (and only) loop over atoms i */
-	for(i=0;i<count;i++) {
+	for(i=pft_data->start;i<pft_data->end;i++) {
 
 		if(!(itom[i].attr&ATOM_ATTR_3BP))
-			continue;
+			return 0;
 
 		link_cell_neighbour_index(moldyn,
 		                          (itom[i].r.x+moldyn->dim.x/2)/lc->x,
@@ -1302,6 +1300,8 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 #endif
 		
 		}
+
+	} // i loop
 		
 #ifdef DEBUG
 	//printf("\n\n");
@@ -1310,8 +1310,6 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 	printf("\n\n");
 #endif
 
-	}
-
 #ifdef DEBUG
 	//printf("\nATOM 0: %f %f %f\n\n",itom->f.x,itom->f.y,itom->f.z);
 	if(moldyn->time>DSTART&&moldyn->time<DEND) {
@@ -1365,49 +1363,37 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 
 	}
 
-	i=0;
-	while(i<count) {
-
-		/* start threads */
-		for(j=0;j<MAX_THREADS;j++) {
-
-			/* break if all atoms are processed */
-			if(j+i==count)
-				break;
-
-			/* prepare thread data */
-			pft_data[j].moldyn=moldyn;
-			pft_data[j].i=j+i;
+	/* start threads */
+	for(j=0;j<MAX_THREADS;j++) {
 
-			ret=pthread_create(&(pft_thread[j]),NULL,
-                                           potential_force_thread,
-                                           &(pft_data[j]));
-			if(ret)  {
-				perror("[albe fast] pf thread create");
-				return ret;
-			}
+		/* prepare thread data */
+		pft_data[j].moldyn=moldyn;
+		pft_data[j].start=j*count/MAX_THREADS;
+		if(j==MAX_THREADS-1) {
+			pft_data[j].end=count;
 		}
-
-		//printf("threads created! %d\n",j);
-
-		/* join threads */
-		for(j=0;j<MAX_THREADS;j++) {
-
-			if(j+i==count)
-				break;
-
-			ret=pthread_join(pft_thread[j],NULL);
-			if(ret) {
-				perror("[albe fast] pf thread join");
-				return ret;
-			}
+		else {
+			pft_data[j].end=pft_data[j].start;
+			pft_data[j].end+=count/MAX_THREADS;
 		}
 
-		/* increment counter */
-		i+=MAX_THREADS;
+		ret=pthread_create(&(pft_thread[j]),NULL,
+                                   potential_force_thread,
+                                   &(pft_data[j]));
+		if(ret)  {
+			perror("[albe fast] pf thread create");
+			return ret;
+		}
+	}
 
-		//printf("threads joined! -> %d\n",i);
+	/* join threads */
+	for(j=0;j<MAX_THREADS;j++) {
 
+		ret=pthread_join(pft_thread[j],NULL);
+		if(ret) {
+			perror("[albe fast] pf thread join");
+			return ret;
+		}
 	}
 
 	/* some postprocessing */
@@ -1427,8 +1413,6 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 			       i);
 	}
 
-	pthread_exit(NULL);
-
 	return 0;
 }