X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=moldyn.c;h=c27fc6215606df4d223290ea2e08e1798d64e95c;hb=4b18a09781c27d786c32a5ada98929c4c2e38f4b;hp=8d50a69c8a4f06b28d3a75ffcc57951c0281fbc5;hpb=452a348351ae8a2255809918a05683d2510655ce;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index 8d50a69..c27fc62 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -47,6 +47,12 @@
 #undef PSE_NAME
 #undef PSE_COL
 
+#ifdef PTHREADS
+/* global mutexes */
+pthread_mutex_t *amutex;
+pthread_mutex_t emutex;
+#endif
+
 /*
  * the moldyn functions
  */
@@ -66,13 +72,27 @@ int moldyn_init(t_moldyn *moldyn,int argc,char **argv) {
 	rand_init(&(moldyn->random),NULL,1);
 	moldyn->random.status|=RAND_STAT_VERBOSE;
 
+#ifdef PTHREADS
+	pthread_mutex_init(&emutex,NULL);
+#endif
+
 	return 0;
 }
 
 int moldyn_shutdown(t_moldyn *moldyn) {
 
+#ifdef PTHREADS
+	int i;
+#endif
+
 	printf("[moldyn] shutdown\n");
 
+#ifdef PTHREADS
+	for(i=0;i<moldyn->count;i++)
+		pthread_mutex_destroy(&(amutex[i]));
+	pthread_mutex_destroy(&emutex);
+#endif
+
 	moldyn_log_shutdown(moldyn);
 	link_cell_shutdown(moldyn);
 	rand_close(&(moldyn->random));
@@ -500,6 +520,9 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 	void *ptr;
 	t_atom *atom;
 	char name[16];
+#ifdef PTHREADS
+	pthread_mutex_t *mutex;
+#endif
 
 	new=a*b*c;
 	count=moldyn->count;
@@ -522,6 +545,16 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 	moldyn->atom=ptr;
 	atom=&(moldyn->atom[count]);
 
+#ifdef PTHREADS
+	ptr=realloc(amutex,(count+new)*sizeof(pthread_mutex_t));
+	if(!ptr) {
+		perror("[moldyn] mutex realloc (add atom)");
+		return -1;
+	}
+	amutex=ptr;
+	mutex=&(amutex[count]);
+#endif
+
 	/* no atoms on the boundaries (only reason: it looks better!) */
 	if(!origin) {
 		orig.x=0.5*lc;
@@ -579,6 +612,9 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 		atom[ret].tag=count+ret;
 		check_per_bound(moldyn,&(atom[ret].r));
 		atom[ret].r_0=atom[ret].r;
+#ifdef PTHREADS
+		pthread_mutex_init(&(mutex[ret]),NULL);
+#endif
 	}
 
 	/* update total system mass */
@@ -613,6 +649,16 @@ int add_atom(t_moldyn *moldyn,int element,double mass,u8 brand,u8 attr,
 	moldyn->lc.subcell->list=ptr;
 #endif
 
+#ifdef PTHREADS
+	ptr=realloc(amutex,(count+1)*sizeof(pthread_mutex_t));
+	if(!ptr) {
+		perror("[moldyn] mutex realloc (add atom)");
+		return -1;
+	}
+	amutex=ptr;
+	pthread_mutex_init(&(amutex[count]),NULL);
+#endif
+
 	atom=moldyn->atom;
 
 	/* initialize new atom */
@@ -1951,11 +1997,6 @@ int potential_force_calc(t_moldyn *moldyn) {
 #endif
 	u8 bc_ij,bc_ik;
 	int dnlc;
-#ifdef PTHREADS
-	int ret;
-	pthread_t kthread[27];
-	t_kdata kdata[27];
-#endif
 
 	count=moldyn->count;
 	itom=moldyn->atom;
@@ -1964,10 +2005,6 @@ int potential_force_calc(t_moldyn *moldyn) {
 	atom=moldyn->atom;
 #endif
 
-#ifdef PTHREADS
-	memset(kdata,0,27*sizeof(t_kdata));
-#endif
-
 	/* reset energy */
 	moldyn->energy=0.0;
 
@@ -2136,9 +2173,7 @@ int potential_force_calc(t_moldyn *moldyn) {
 					continue;
 			
 				/* first loop over atoms k */
-#ifndef PTHREADS
 				if(moldyn->func3b_k1) {
-#endif
 
 				for(k=0;k<27;k++) {
 
@@ -2177,24 +2212,11 @@ int potential_force_calc(t_moldyn *moldyn) {
 						if(ktom==&(itom[i]))
 							continue;
 
-#ifdef PTHREADS
-						kdata[k].moldyn=moldyn;
-						kdata[k].ai=&(itom[i]);
-						kdata[k].aj=jtom;
-						kdata[k].ak=ktom;
-						kdata[k].bc=bc_ik;
-	ret=pthread_create(&(kthread[k]),NULL,moldyn->func3b_k1,&(kdata[k]));
-	if(ret) {
-		perror("[moldyn] create k1 thread");
-		return ret;
-	}
-#else
 						moldyn->func3b_k1(moldyn,
 						                  &(itom[i]),
 						                  jtom,
 						                  ktom,
 						                  bc_ik|bc_ij);
-#endif
 
 #ifdef STATIC_LISTS
 					}
@@ -2207,9 +2229,7 @@ int potential_force_calc(t_moldyn *moldyn) {
 
 				}
 
-#ifndef PTHREADS
 				}
-#endif
 
 				if(moldyn->func3b_j2)
 					moldyn->func3b_j2(moldyn,