X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=8d50a69c8a4f06b28d3a75ffcc57951c0281fbc5;hb=452a348351ae8a2255809918a05683d2510655ce;hp=e936b11d0ce5a977330d9989bc7c156cfc25e014;hpb=45f9190fc7489f3f9ff8f0d917945b1d5bc9d584;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index e936b11..8d50a69 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -1951,6 +1951,11 @@ 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;
@@ -1959,6 +1964,10 @@ 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;
 
@@ -2127,7 +2136,9 @@ 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++) {
 
@@ -2166,11 +2177,25 @@ 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
 					}
 #elif LOWMEM_LISTS
@@ -2182,7 +2207,9 @@ int potential_force_calc(t_moldyn *moldyn) {
 
 				}
 
+#ifndef PTHREADS
 				}
+#endif
 
 				if(moldyn->func3b_j2)
 					moldyn->func3b_j2(moldyn,