git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12255 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/comm_brick.cpp

@@ -1153,11 +1153,13 @@ void CommBrick::forward_comm_compute(Compute *compute)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = compute->comm_forward;
+
   for (iswap = 0; iswap < nswap; iswap++) {
 
     // pack buffer
 
-    n = compute->pack_comm(sendnum[iswap],sendlist[iswap],
+    n = compute->pack_forward_comm(sendnum[iswap],sendlist[iswap],
                            buf_send,pbc_flag[iswap],pbc[iswap]);
 
     // exchange with another proc
@@ -1165,17 +1167,17 @@ void CommBrick::forward_comm_compute(Compute *compute)
 
     if (sendproc[iswap] != me) {
       if (recvnum[iswap])
-        MPI_Irecv(buf_recv,n*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
+        MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
                   world,&request);
       if (sendnum[iswap])
-        MPI_Send(buf_send,n*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world);
+        MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
       if (recvnum[iswap]) MPI_Wait(&request,&status);
       buf = buf_recv;
     } else buf = buf_send;
 
     // unpack buffer
 
-    compute->unpack_comm(recvnum[iswap],firstrecv[iswap],buf);
+    compute->unpack_forward_comm(recvnum[iswap],firstrecv[iswap],buf);
   }
 }
 
@@ -1191,6 +1193,8 @@ void CommBrick::reverse_comm_compute(Compute *compute)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = compute->comm_reverse;
+
   for (iswap = nswap-1; iswap >= 0; iswap--) {
 
     // pack buffer
@@ -1202,10 +1206,10 @@ void CommBrick::reverse_comm_compute(Compute *compute)
 
     if (sendproc[iswap] != me) {
       if (sendnum[iswap])
-        MPI_Irecv(buf_recv,n*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
+        MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
                   world,&request);
       if (recvnum[iswap])
-        MPI_Send(buf_send,n*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world);
+        MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
       if (sendnum[iswap]) MPI_Wait(&request,&status);
       buf = buf_recv;
     } else buf = buf_send;

src/comm_tiled.cpp

@@ -1482,31 +1482,44 @@ void CommTiled::reverse_comm_variable_fix(Fix *fix)
 
 void CommTiled::forward_comm_compute(Compute *compute)
 {
-  int i,irecv,n;
+  int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
-  for (int iswap = 0; iswap < nswap; iswap++) {
+  int nsize = compute->comm_forward;
-    if (sendproc[iswap][0] != me) {
-      for (i = 0; i < nrecvproc[iswap]; i++)
-        MPI_Irecv(&buf_recv[forward_recv_offset[iswap][i]],
-                  size_forward_recv[iswap][i],
-                  MPI_DOUBLE,recvproc[iswap][i],0,world,&requests[i]);
-      for (i = 0; i < nsendproc[iswap]; i++) {
-        n = compute->pack_comm(sendnum[iswap][i],sendlist[iswap][i],
-                               buf_send,pbc_flag[iswap][i],pbc[iswap][i]);
-        MPI_Send(buf_send,n*sendnum[iswap][i],MPI_DOUBLE,
-                 sendproc[iswap][i],0,world);
-      }
-      for (i = 0; i < nrecvproc[iswap]; i++) {
-        MPI_Waitany(nrecvproc[iswap],requests,&irecv,&status);
-        compute->unpack_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
-                             &buf_recv[forward_recv_offset[iswap][irecv]]);
-      }
 
-    } else {
+  for (int iswap = 0; iswap < nswap; iswap++) {
-      n = compute->pack_comm(sendnum[iswap][0],sendlist[iswap][0],
+    nsend = nsendproc[iswap] - sendself[iswap];
-                             buf_send,pbc_flag[iswap][0],pbc[iswap][0]);
+    nrecv = nrecvproc[iswap] - sendself[iswap];
-      compute->unpack_comm(recvnum[iswap][0],firstrecv[iswap][0],buf_send);
+
+    if (recvother[iswap]) {
+      for (i = 0; i < nrecv; i++)
+        MPI_Irecv(&buf_recv[nsize*forward_recv_offset[iswap][i]],
+                  nsize*recvnum[iswap][i],
+                  MPI_DOUBLE,recvproc[iswap][i],0,world,&requests[i]);
+    }
+    if (sendother[iswap]) {
+      for (i = 0; i < nsendproc[iswap]; i++) {
+        n = compute->pack_forward_comm(sendnum[iswap][i],sendlist[iswap][i],
+                                       buf_send,pbc_flag[iswap][i],
+                                       pbc[iswap][i]);
+        MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap][i],0,world);
+      }
+    }
+    if (sendself[iswap]) {
+      compute->pack_forward_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
+                                 buf_send,pbc_flag[iswap][nsend],
+                                 pbc[iswap][nsend]);
+      compute->unpack_forward_comm(recvnum[iswap][nrecv],
+                                   firstrecv[iswap][nrecv],buf_send);
+    }
+    if (recvother[iswap]) {
+      for (i = 0; i < nrecv; i++) {
+        MPI_Waitany(nrecv,requests,&irecv,&status);
+        compute->
+          unpack_forward_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
+                              &buf_recv[nsize*
+                                        forward_recv_offset[iswap][irecv]]);
+      }
     }
   }
 }
@@ -1518,33 +1531,42 @@ void CommTiled::forward_comm_compute(Compute *compute)
 
 void CommTiled::reverse_comm_compute(Compute *compute)
 {
-  int i,irecv,n;
+  int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
+  int nsize = compute->comm_reverse;
+
   for (int iswap = nswap-1; iswap >= 0; iswap--) {
-    if (sendproc[iswap][0] != me) {
+    nsend = nsendproc[iswap] - sendself[iswap];
-      for (i = 0; i < nsendproc[iswap]; i++)
+    nrecv = nrecvproc[iswap] - sendself[iswap];
-        MPI_Irecv(&buf_recv[reverse_recv_offset[iswap][i]],
+
-                  size_reverse_recv[iswap][i],MPI_DOUBLE,
+    if (sendother[iswap]) {
+      for (i = 0; i < nsend; i++)
+        MPI_Irecv(&buf_recv[nsize*reverse_recv_offset[iswap][i]],
+                  nsize*sendnum[iswap][i],MPI_DOUBLE,
                   sendproc[iswap][i],0,world,&requests[i]);
-      for (i = 0; i < nrecvproc[iswap]; i++) {
+    }
+    if (recvother[iswap]) {
+      for (i = 0; i < nrecv; i++) {
         n = compute->pack_reverse_comm(recvnum[iswap][i],firstrecv[iswap][i],
-                                   buf_send);
+                                       buf_send);
-        MPI_Send(buf_send,n*recvnum[iswap][i],MPI_DOUBLE,
+        MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap][i],0,world);
-                 recvproc[iswap][i],0,world);
       }
-      for (i = 0; i < nsendproc[iswap]; i++) {
+    }
-        MPI_Waitany(nsendproc[iswap],requests,&irecv,&status);
+    if (sendself[iswap]) {
+      compute->pack_reverse_comm(recvnum[iswap][nrecv],firstrecv[iswap][nrecv],
+                                 buf_send);
+      compute->unpack_reverse_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
+                                   buf_send);
+    }
+    if (sendother[iswap]) {
+      for (i = 0; i < nsend; i++) {
+        MPI_Waitany(nsend,requests,&irecv,&status);
         compute->
           unpack_reverse_comm(sendnum[iswap][irecv],sendlist[iswap][irecv],
-                              &buf_recv[reverse_recv_offset[iswap][irecv]]);
+                              &buf_recv[nsize*
+                                        reverse_recv_offset[iswap][irecv]]);
       }
-
-    } else {
-      n = compute->pack_reverse_comm(recvnum[iswap][0],firstrecv[iswap][0],
-                                 buf_send);
-      compute->unpack_reverse_comm(sendnum[iswap][0],sendlist[iswap][0],
-                                   buf_send);
     }
   }
 }

src/compute.h

@@ -98,8 +98,8 @@ class Compute : protected Pointers {
   virtual void compute_peratom() {}
   virtual void compute_local() {}
 
-  virtual int pack_comm(int, int *, double *, int, int *) {return 0;}
+  virtual int pack_forward_comm(int, int *, double *, int, int *) {return 0;}
-  virtual void unpack_comm(int, int, double *) {}
+  virtual void unpack_forward_comm(int, int, double *) {}
   virtual int pack_reverse_comm(int, int, double *) {return 0;}
   virtual void unpack_reverse_comm(int, int *, double *) {}
 

src/compute_cluster_atom.cpp

@@ -195,8 +195,8 @@ void ComputeClusterAtom::compute_peratom()
 
 /* ---------------------------------------------------------------------- */
 
-int ComputeClusterAtom::pack_comm(int n, int *list, double *buf,
+int ComputeClusterAtom::pack_forward_comm(int n, int *list, double *buf,
-                                  int pbc_flag, int *pbc)
+                                          int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -214,12 +214,12 @@ int ComputeClusterAtom::pack_comm(int n, int *list, double *buf,
     }
   }
 
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void ComputeClusterAtom::unpack_comm(int n, int first, double *buf)
+void ComputeClusterAtom::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/compute_cluster_atom.h

@@ -31,8 +31,8 @@ class ComputeClusterAtom : public Compute {
   void init();
   void init_list(int, class NeighList *);
   void compute_peratom();
-  int pack_comm(int, int *, double *, int, int *);
+  int pack_forward_comm(int, int *, double *, int, int *);
-  void unpack_comm(int, int, double *);
+  void unpack_forward_comm(int, int, double *);
   double memory_usage();
 
  private:

src/compute_contact_atom.cpp

@@ -170,7 +170,7 @@ int ComputeContactAtom::pack_reverse_comm(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++)
     buf[m++] = contact[i];
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/compute_pe_atom.cpp

@@ -168,7 +168,7 @@ int ComputePEAtom::pack_reverse_comm(int n, int first, double *buf)
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) buf[m++] = energy[i];
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/compute_stress_atom.cpp

@@ -355,7 +355,7 @@ int ComputeStressAtom::pack_reverse_comm(int n, int first, double *buf)
     buf[m++] = stress[i][4];
     buf[m++] = stress[i][5];
   }
-  return 6;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */