git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/FLD/pair_lubricate.cpp

@@ -752,8 +752,8 @@ void PairLubricate::read_restart_settings(FILE *fp)
 
 /* ---------------------------------------------------------------------- */
 
-int PairLubricate::pack_comm(int n, int *list, double *buf,
+int PairLubricate::pack_forward_comm(int n, int *list, double *buf,
-                             int pbc_flag, int *pbc)
+                                     int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -771,12 +771,12 @@ int PairLubricate::pack_comm(int n, int *list, double *buf,
     buf[m++] = omega[j][2];
   }
 
-  return 6;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairLubricate::unpack_comm(int n, int first, double *buf)
+void PairLubricate::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/FLD/pair_lubricate.h

@@ -40,8 +40,8 @@ class PairLubricate : public Pair {
   int pre_adapt(char *, int, int, int, int);
   void adapt(int, int, int, int, int, double);
 
-  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 *);
 
  protected:
   double mu,cut_inner_global,cut_global;

src/FLD/pair_lubricateU.cpp

@@ -2009,8 +2009,8 @@ void PairLubricateU::copy_uo_vec(int inum, double **f, double **torque,
 
 /* ---------------------------------------------------------------------- */
 
-int PairLubricateU::pack_comm(int n, int *list, double *buf,
+int PairLubricateU::pack_forward_comm(int n, int *list, double *buf,
-                              int pbc_flag, int *pbc)
+                                      int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -2027,12 +2027,12 @@ int PairLubricateU::pack_comm(int n, int *list, double *buf,
     buf[m++] = omega[j][1];
     buf[m++] = omega[j][2];
   }
-  return 6;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairLubricateU::unpack_comm(int n, int first, double *buf)
+void PairLubricateU::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/FLD/pair_lubricateU.h

@@ -37,8 +37,8 @@ class PairLubricateU : public Pair {
   void read_restart(FILE *);
   void write_restart_settings(FILE *);
   void read_restart_settings(FILE *);
-  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 *);
 
  protected:
   double cut_inner_global,cut_global;

src/GPU/pair_eam_gpu.cpp

@@ -237,8 +237,8 @@ double PairEAMGPU::single(int i, int j, int itype, int jtype,
 
 /* ---------------------------------------------------------------------- */
 
-int PairEAMGPU::pack_comm(int n, int *list, double *buf, int pbc_flag,
+int PairEAMGPU::pack_forward_comm(int n, int *list, double *buf, 
-                          int *pbc)
+                                  int pbc_flag,int *pbc)
 {
   int i,j,m;
 
@@ -258,12 +258,12 @@ int PairEAMGPU::pack_comm(int n, int *list, double *buf, int pbc_flag,
     }
   }
 
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairEAMGPU::unpack_comm(int n, int first, double *buf)
+void PairEAMGPU::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/GPU/pair_eam_gpu.h

@@ -35,8 +35,8 @@ class PairEAMGPU : public PairEAM {
   double single(int, int, int, int, double, double, double, double &);
   double memory_usage();
 
-  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 *);
 
  enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };
 

src/GRANULAR/pair_gran_hooke_history.cpp

@@ -763,8 +763,8 @@ double PairGranHookeHistory::single(int i, int j, int itype, int jtype,
 
 /* ---------------------------------------------------------------------- */
 
-int PairGranHookeHistory::pack_comm(int n, int *list,
+int PairGranHookeHistory::pack_forward_comm(int n, int *list, double *buf, 
-                                    double *buf, int pbc_flag, int *pbc)
+                                            int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -773,12 +773,12 @@ int PairGranHookeHistory::pack_comm(int n, int *list,
     j = list[i];
     buf[m++] = mass_rigid[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairGranHookeHistory::unpack_comm(int n, int first, double *buf)
+void PairGranHookeHistory::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/GRANULAR/pair_gran_hooke_history.h

@@ -42,8 +42,8 @@ class PairGranHookeHistory : public Pair {
   void read_restart_settings(FILE *);
   void reset_dt();
   virtual double single(int, int, int, int, double, double, double, double &);
-  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 *);
   void *extract(const char *, int &);
   double memory_usage();
 

src/MANYBODY/fix_qeq_comb.cpp

@@ -292,7 +292,8 @@ double FixQEQComb::memory_usage()
 }
 /* ---------------------------------------------------------------------- */
 
-int FixQEQComb::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int FixQEQComb::pack_forward_comm(int n, int *list, double *buf, 
+                                  int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -301,12 +302,12 @@ int FixQEQComb::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     j = list[i];
     buf[m++] = atom->q[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixQEQComb::unpack_comm(int n, int first, double *buf)
+void FixQEQComb::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/MANYBODY/fix_qeq_comb.h

@@ -35,8 +35,8 @@ class FixQEQComb : public Fix {
   virtual void post_force(int);
   void post_force_respa(int,int,int);
   double memory_usage();
-  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 *);
 
   void min_post_force(int);
 

src/MANYBODY/pair_adp.cpp

@@ -933,7 +933,8 @@ void PairADP::grab(FILE *fp, int n, double *list)
 
 /* ---------------------------------------------------------------------- */
 
-int PairADP::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairADP::pack_forward_comm(int n, int *list, double *buf, 
+                               int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -951,12 +952,12 @@ int PairADP::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     buf[m++] = lambda[j][4];
     buf[m++] = lambda[j][5];
   }
-  return 10;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairADP::unpack_comm(int n, int first, double *buf)
+void PairADP::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 
@@ -996,7 +997,7 @@ int PairADP::pack_reverse_comm(int n, int first, double *buf)
   buf[m++] = lambda[i][4];
   buf[m++] = lambda[i][5];
   }
-  return 10;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MANYBODY/pair_adp.h

@@ -34,8 +34,8 @@ class PairADP : public Pair {
   void init_style();
   double init_one(int, int);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double memory_usage();

src/MANYBODY/pair_comb.cpp

@@ -1991,7 +1991,8 @@ void PairComb::Over_cor(Param *param, double rsq1, int NCoi,
 
 /* ---------------------------------------------------------------------- */
 
-int PairComb::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairComb::pack_forward_comm(int n, int *list, double *buf, 
+                                int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -2000,12 +2001,12 @@ int PairComb::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     j = list[i];
     buf[m++] = qf[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairComb::unpack_comm(int n, int first, double *buf)
+void PairComb::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 
@@ -2023,7 +2024,7 @@ int PairComb::pack_reverse_comm(int n, int first, double *buf)
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) buf[m++] = qf[i];
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MANYBODY/pair_comb.h

@@ -149,8 +149,8 @@ class PairComb : public Pair {
   void Over_cor(Param *, double, int, double &, double &);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
-  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 *);
 
   void Short_neigh();
 

src/MANYBODY/pair_comb3.cpp

@@ -3853,7 +3853,8 @@ double PairComb3::switching_d(double rr)
 
 /* ---------------------------------------------------------------------- */
 
-int PairComb3::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairComb3::pack_forward_comm(int n, int *list, double *buf, 
+                                 int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -3869,12 +3870,12 @@ int PairComb3::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
       buf[m++] = NCo[j];
     }
   }
-  return 1;
+  return m;
 }   
     
 /* ---------------------------------------------------------------------- */
     
-void PairComb3::unpack_comm(int n, int first, double *buf)
+void PairComb3::unpack_forward_comm(int n, int first, double *buf)
 {   
   int i,m,last;
   
@@ -3904,7 +3905,7 @@ int PairComb3::pack_reverse_comm(int n, int first, double *buf)
     for (i = first; i < last; i++)
       buf[m++] = NCo[i];
   }
-  return 1;
+  return m;
 }   
     
 /* ---------------------------------------------------------------------- */

src/MANYBODY/pair_comb3.h

@@ -246,8 +246,8 @@ class PairComb3 : public Pair {
   // communication functions
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
-  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 *);
 
   // vector functions, inline for efficiency
   inline double vec3_dot(double *x, double *y) {

src/MANYBODY/pair_eam.cpp

@@ -806,7 +806,8 @@ double PairEAM::single(int i, int j, int itype, int jtype,
 
 /* ---------------------------------------------------------------------- */
 
-int PairEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairEAM::pack_forward_comm(int n, int *list, double *buf, 
+                               int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -815,12 +816,12 @@ int PairEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     j = list[i];
     buf[m++] = fp[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairEAM::unpack_comm(int n, int first, double *buf)
+void PairEAM::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 
@@ -838,7 +839,7 @@ int PairEAM::pack_reverse_comm(int n, int first, double *buf)
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) buf[m++] = rho[i];
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MANYBODY/pair_eam.h

@@ -53,8 +53,8 @@ class PairEAM : public Pair {
   double init_one(int, int);
   double single(int, int, int, int, double, double, double, double &);
 
-  virtual int pack_comm(int, int *, double *, int, int *);
+  virtual int pack_forward_comm(int, int *, double *, int, int *);
-  virtual void unpack_comm(int, int, double *);
+  virtual void unpack_forward_comm(int, int, double *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double memory_usage();

src/MANYBODY/pair_eim.cpp

@@ -1083,7 +1083,8 @@ double PairEIM::funccoul(int i, int j, double r)
 
 /* ---------------------------------------------------------------------- */
 
-int PairEIM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairEIM::pack_forward_comm(int n, int *list, double *buf, 
+                               int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -1100,12 +1101,12 @@ int PairEIM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
       buf[m++] = fp[j];
     }
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairEIM::unpack_comm(int n, int first, double *buf)
+void PairEIM::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 
@@ -1133,7 +1134,7 @@ int PairEIM::pack_reverse_comm(int n, int first, double *buf)
   if (rhofp == 2) {
     for (i = first; i < last; i++) buf[m++] = fp[i];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MANYBODY/pair_eim.h

@@ -35,8 +35,8 @@ class PairEIM : public Pair {
   void init_style();
   double init_one(int, int);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double memory_usage();

src/MC/fix_bond_break.cpp

@@ -702,8 +702,8 @@ void FixBondBreak::post_integrate_respa(int ilevel, int iloop)
 
 /* ---------------------------------------------------------------------- */
 
-int FixBondBreak::pack_comm(int n, int *list, double *buf,
+int FixBondBreak::pack_forward_comm(int n, int *list, double *buf,
-                            int pbc_flag, int *pbc)
+                                    int pbc_flag, int *pbc)
 {
   int i,j,k,m,ns;
 
@@ -714,7 +714,7 @@ int FixBondBreak::pack_comm(int n, int *list, double *buf,
       buf[m++] = ubuf(partner[j]).d;
       buf[m++] = probability[j];
     }
-    return 2;
+    return m;
   }
 
   int **nspecial = atom->nspecial;
@@ -734,7 +734,7 @@ int FixBondBreak::pack_comm(int n, int *list, double *buf,
 
 /* ---------------------------------------------------------------------- */
 
-void FixBondBreak::unpack_comm(int n, int first, double *buf)
+void FixBondBreak::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,j,m,ns,last;
 
@@ -775,7 +775,7 @@ int FixBondBreak::pack_reverse_comm(int n, int first, double *buf)
     buf[m++] = ubuf(partner[i]).d;
     buf[m++] = distsq[i];
   }
-  return 2;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MC/fix_bond_break.h

@@ -33,8 +33,8 @@ class FixBondBreak : public Fix {
   void post_integrate();
   void post_integrate_respa(int,int);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double compute_vector(int);

src/MC/fix_bond_create.cpp

@@ -1211,8 +1211,8 @@ void FixBondCreate::post_integrate_respa(int ilevel, int iloop)
 
 /* ---------------------------------------------------------------------- */
 
-int FixBondCreate::pack_comm(int n, int *list, double *buf,
+int FixBondCreate::pack_forward_comm(int n, int *list, double *buf,
-                             int pbc_flag, int *pbc)
+                                     int pbc_flag, int *pbc)
 {
   int i,j,k,m,ns;
 
@@ -1223,7 +1223,7 @@ int FixBondCreate::pack_comm(int n, int *list, double *buf,
       j = list[i];
       buf[m++] = ubuf(bondcount[j]).d;
     }
-    return 1;
+    return m;
   }
 
   if (commflag == 2) {
@@ -1232,7 +1232,7 @@ int FixBondCreate::pack_comm(int n, int *list, double *buf,
       buf[m++] = ubuf(partner[j]).d;
       buf[m++] = probability[j];
     }
-    return 2;
+    return m;
   }
 
   int **nspecial = atom->nspecial;
@@ -1252,7 +1252,7 @@ int FixBondCreate::pack_comm(int n, int *list, double *buf,
 
 /* ---------------------------------------------------------------------- */
 
-void FixBondCreate::unpack_comm(int n, int first, double *buf)
+void FixBondCreate::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,j,m,ns,last;
 
@@ -1298,14 +1298,14 @@ int FixBondCreate::pack_reverse_comm(int n, int first, double *buf)
   if (commflag == 1) {
     for (i = first; i < last; i++)
       buf[m++] = ubuf(bondcount[i]).d;
-    return 1;
+    return m;
   }
 
   for (i = first; i < last; i++) {
     buf[m++] = ubuf(partner[i]).d;
     buf[m++] = distsq[i];
   }
-  return 2;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MC/fix_bond_create.h

@@ -35,8 +35,8 @@ class FixBondCreate : public Fix {
   void post_integrate();
   void post_integrate_respa(int, int);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   void grow_arrays(int);

src/MEAM/pair_meam.cpp

@@ -730,7 +730,8 @@ void PairMEAM::read_files(char *globalfile, char *userfile)
 
 /* ---------------------------------------------------------------------- */
 
-int PairMEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairMEAM::pack_forward_comm(int n, int *list, double *buf, 
+                                int pbc_flag, int *pbc)
 {
   int i,j,k,m;
 
@@ -767,12 +768,13 @@ int PairMEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     buf[m++] = tsq_ave[j][1];
     buf[m++] = tsq_ave[j][2];
   }
-  return comm_forward;
+
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairMEAM::unpack_comm(int n, int first, double *buf)
+void PairMEAM::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,k,m,last;
 
@@ -843,7 +845,7 @@ int PairMEAM::pack_reverse_comm(int n, int first, double *buf)
     buf[m++] = tsq_ave[i][2];
   }
 
-  return comm_reverse;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/MEAM/pair_meam.h

@@ -69,8 +69,8 @@ class PairMEAM : public Pair {
   void init_list(int, class NeighList *);
   double init_one(int, int);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double memory_usage();

src/MISC/fix_orient_fcc.cpp

@@ -478,8 +478,8 @@ double FixOrientFCC::compute_scalar()
 
 /* ---------------------------------------------------------------------- */
 
-int FixOrientFCC::pack_comm(int n, int *list, double *buf,
+int FixOrientFCC::pack_forward_comm(int n, int *list, double *buf,
-                            int pbc_flag, int *pbc)
+                                    int pbc_flag, int *pbc)
 {
   int i,j,k,num;
   tagint id;
@@ -508,18 +508,14 @@ int FixOrientFCC::pack_comm(int n, int *list, double *buf,
       if (k < nlocal) id = tag[id];
       buf[m++] = id;
     }
-
-    m += (12-num) * 3;
-    if (use_xismooth) m += 12-num;
   }
 
-  if (use_xismooth) return 62;
+  return m;
-  return 50;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixOrientFCC::unpack_comm(int n, int first, double *buf)
+void FixOrientFCC::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,j,num;
   int last = first + n;
@@ -536,9 +532,6 @@ void FixOrientFCC::unpack_comm(int n, int first, double *buf)
       nbr[i].dxi[j][2] = buf[m++];
       nbr[i].id[j] = static_cast<tagint> (buf[m++]);
     }
-
-    m += (12-num) * 3;
-    if (use_xismooth) m += 12-num;
   }
 }
 

src/MISC/fix_orient_fcc.h

@@ -52,8 +52,8 @@ class FixOrientFCC : public Fix {
   void post_force(int);
   void post_force_respa(int, int, int);
   double compute_scalar();
-  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/PERI/fix_peri_neigh.cpp

@@ -506,8 +506,8 @@ int FixPeriNeigh::unpack_exchange(int nlocal, double *buf)
 
 /* ---------------------------------------------------------------------- */
 
-int FixPeriNeigh::pack_comm(int n, int *list, double *buf,
+int FixPeriNeigh::pack_forward_comm(int n, int *list, double *buf,
-                             int pbc_flag, int *pbc)
+                                    int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -516,12 +516,12 @@ int FixPeriNeigh::pack_comm(int n, int *list, double *buf,
     j = list[i];
     buf[m++] = wvolume[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixPeriNeigh::unpack_comm(int n, int first, double *buf)
+void FixPeriNeigh::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/PERI/fix_peri_neigh.h

@@ -54,8 +54,8 @@ class FixPeriNeigh : public Fix {
   void unpack_restart(int, int);
   int size_restart(int);
   int maxsize_restart();
-  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 *);
 
 
  protected:

src/PERI/pair_peri_eps.cpp

@@ -799,8 +799,8 @@ double PairPeriEPS::compute_DeviatoricForceStateNorm(int i)
    communication routines
 ---------------------------------------------------------------------- */
 
-int PairPeriEPS::pack_comm(int n, int *list, double *buf,
+int PairPeriEPS::pack_forward_comm(int n, int *list, double *buf,
-                           int pbc_flag, int *pbc)
+                                   int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -809,12 +809,12 @@ int PairPeriEPS::pack_comm(int n, int *list, double *buf,
     j = list[i];
     buf[m++] = theta[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairPeriEPS::unpack_comm(int n, int first, double *buf)
+void PairPeriEPS::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/PERI/pair_peri_eps.h

@@ -31,8 +31,8 @@ class PairPeriEPS : public Pair {
 
   PairPeriEPS(class LAMMPS *);
   virtual ~PairPeriEPS();
-  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 *);
 
   virtual void compute(int, int);
   void settings(int, char **);

src/PERI/pair_peri_lps.cpp

@@ -626,8 +626,8 @@ void PairPeriLPS::compute_dilatation()
    communication routines
  ---------------------------------------------------------------------- */
 
-int PairPeriLPS::pack_comm(int n, int *list, double *buf,
+int PairPeriLPS::pack_forward_comm(int n, int *list, double *buf,
-                           int pbc_flag, int *pbc)
+                                   int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -636,12 +636,12 @@ int PairPeriLPS::pack_comm(int n, int *list, double *buf,
     j = list[i];
     buf[m++] = theta[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairPeriLPS::unpack_comm(int n, int first, double *buf)
+void PairPeriLPS::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/PERI/pair_peri_lps.h

@@ -31,8 +31,8 @@ class PairPeriLPS : public Pair {
 
   PairPeriLPS(class LAMMPS *);
   virtual ~PairPeriLPS();
-  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 *);
 
   virtual void compute(int, int);
   void settings(int, char **);

src/PERI/pair_peri_ves.cpp

@@ -696,8 +696,8 @@ void PairPeriVES::compute_dilatation()
    communication routines
 ---------------------------------------------------------------------- */
 
-int PairPeriVES::pack_comm(int n, int *list, double *buf,
+int PairPeriVES::pack_forward_comm(int n, int *list, double *buf,
-                           int pbc_flag, int *pbc)
+                                   int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -706,12 +706,12 @@ int PairPeriVES::pack_comm(int n, int *list, double *buf,
     j = list[i];
     buf[m++] = theta[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairPeriVES::unpack_comm(int n, int first, double *buf)
+void PairPeriVES::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/PERI/pair_peri_ves.h

@@ -31,8 +31,8 @@ class PairPeriVES : public Pair {
 
   PairPeriVES(class LAMMPS *);
   virtual ~PairPeriVES();
-  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 *);
 
   virtual void compute(int, int);
   void settings(int, char **);

src/REAX/pair_reax.cpp

@@ -621,7 +621,8 @@ double PairREAX::init_one(int i, int j)
 
 /* ---------------------------------------------------------------------- */
 
-int PairREAX::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairREAX::pack_forward_comm(int n, int *list, double *buf, 
+                                int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -640,12 +641,12 @@ int PairREAX::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
     }
   }
 
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairREAX::unpack_comm(int n, int first, double *buf)
+void PairREAX::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 
@@ -673,7 +674,7 @@ int PairREAX::pack_reverse_comm(int n, int first, double *buf)
   for (i = first; i < last; i++)
     buf[m++] = wcg[i];
 
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */

src/REAX/pair_reax.h

@@ -36,8 +36,8 @@ class PairREAX : public Pair {
   double init_one(int, int);
   double memory_usage();
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
 

src/RIGID/fix_rigid_small.cpp

@@ -2762,8 +2762,8 @@ int FixRigidSmall::unpack_exchange(int nlocal, double *buf)
    for FULL_BODY, send 0/1 flag with every atom
 ------------------------------------------------------------------------- */
 
-int FixRigidSmall::pack_comm(int n, int *list, double *buf,
+int FixRigidSmall::pack_forward_comm(int n, int *list, double *buf,
-                             int pbc_flag, int *pbc)
+                                     int pbc_flag, int *pbc)
 {
   int i,j;
   double *xcm,*vcm,*quat,*omega,*ex_space,*ey_space,*ez_space,*conjqm;
@@ -2850,7 +2850,7 @@ int FixRigidSmall::pack_comm(int n, int *list, double *buf,
    for other commflag values, only unpack body info if atom owns it
 ------------------------------------------------------------------------- */
 
-void FixRigidSmall::unpack_comm(int n, int first, double *buf)
+void FixRigidSmall::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,j,last;
   double *xcm,*vcm,*quat,*omega,*ex_space,*ey_space,*ez_space,*conjqm;

src/RIGID/fix_rigid_small.h

@@ -52,8 +52,8 @@ class FixRigidSmall : public Fix {
 
   int pack_exchange(int, double *);
   int unpack_exchange(int, double *);
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
 

src/RIGID/fix_shake.cpp

@@ -2583,7 +2583,8 @@ int FixShake::unpack_exchange(int nlocal, double *buf)
 
 /* ---------------------------------------------------------------------- */
 
-int FixShake::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int FixShake::pack_forward_comm(int n, int *list, double *buf, 
+                                int pbc_flag, int *pbc)
 {
   int i,j,m;
   double dx,dy,dz;
@@ -2613,12 +2614,12 @@ int FixShake::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
       buf[m++] = xshake[j][2] + dz;
     }
   }
-  return 3;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixShake::unpack_comm(int n, int first, double *buf)
+void FixShake::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/RIGID/fix_shake.h

@@ -44,8 +44,8 @@ class FixShake : public Fix {
 
   int pack_exchange(int, double *);
   int unpack_exchange(int, double *);
-  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 *);
 
   int dof(int);
   void reset_dt();

src/USER-ATC/fix_atc.cpp

@@ -679,13 +679,13 @@ int FixATC::unpack_exchange(int nlocal, double * buf)
   return num;
 }
 
-int FixATC::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int FixATC::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
 {
   int num = atc_->pack_comm(n, list, buf, pbc_flag, pbc);
   return num;
 }
 
-void FixATC::unpack_comm(int n, int first, double *buf)
+void FixATC::unpack_forward_comm(int n, int first, double *buf)
 {
   atc_->unpack_comm(n, first, buf);
 }

src/USER-ATC/fix_atc.h

@@ -69,15 +69,15 @@ namespace LAMMPS_NS {
        atom received from another processor. */
     int unpack_exchange(int, double *);
 
-    /** pack_comm called from comm->forward_comm_fix and
+    /** pack_forward_comm called from comm->forward_comm_fix and
        packs fix-specific data for a given ghost atom
        from exchange with another proc */
-    int pack_comm(int , int *, double *, int, int *);  
+    int pack_forward_comm(int , int *, double *, int, int *);  
  
     /** unpack_comm called from comm->forward_comm_fix and
        unpacks fix-specific data for a given ghost atom
        from exchange with another proc */
-    void unpack_comm(int, int, double *);
+    void unpack_forward_comm(int, int, double *);
 
     /** pre_neighbor is used to modify fix-specific data
        and is called before neighbor list is built in 

src/USER-CUDA/fix_shake_cuda.cpp

@@ -2793,7 +2793,8 @@ void FixShakeCuda::post_force_respa(int vflag, int ilevel, int iloop)
 
 /* ---------------------------------------------------------------------- */
 
-int FixShakeCuda::pack_comm(int n, int* list, double* buf, int pbc_flag, int* pbc)
+int FixShakeCuda::pack_forward_comm(int n, int* list, double* buf, 
+                                    int pbc_flag, int* pbc)
 {
   if(cuda->finished_setup) {
     int iswap = *list;
@@ -2805,7 +2806,7 @@ int FixShakeCuda::pack_comm(int n, int* list, double* buf, int pbc_flag, int* pb
     } else
       Cuda_FixShakeCuda_PackComm(&cuda->shared_data, n, iswap, (void*) buf, pbc, pbc_flag);
 
-    return 3;
+    return 3*n;
   }
 
   int i, j, m;
@@ -2839,12 +2840,12 @@ int FixShakeCuda::pack_comm(int n, int* list, double* buf, int pbc_flag, int* pb
     }
   }
 
-  return 3;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixShakeCuda::unpack_comm(int n, int first, double* buf)
+void FixShakeCuda::unpack_forward_comm(int n, int first, double* buf)
 {
   if(cuda->finished_setup) {
     Cuda_FixShakeCuda_UnpackComm(&cuda->shared_data, n, first, (void*)buf);

src/USER-CUDA/fix_shake_cuda.h

@@ -43,8 +43,8 @@ class FixShakeCuda : public Fix {
   void set_arrays(int);
   int pack_exchange(int, double *);
   int unpack_exchange(int, double *);
-  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 *);
 
   int dof(int);
   void reset_dt();

src/USER-CUDA/pair_eam_cuda.cpp

@@ -231,17 +231,18 @@ void PairEAMCuda::array2spline()
 
 /* ---------------------------------------------------------------------- */
 
-int PairEAMCuda::pack_comm(int n, int* iswap, double* buf, int pbc_flag, int* pbc)
+int PairEAMCuda::pack_forward_comm(int n, int* iswap, double* buf, 
+                                   int pbc_flag, int* pbc)
 {
   Cuda_PairEAMCuda_PackComm(&cuda->shared_data, n, *iswap, buf);
 
-  if(sizeof(F_FLOAT) < sizeof(double)) return 1;
+  if(sizeof(F_FLOAT) < sizeof(double)) return n;
-  else return 1;
+  else return n;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairEAMCuda::unpack_comm(int n, int first, double* buf)
+void PairEAMCuda::unpack_forward_comm(int n, int first, double* buf)
 {
   Cuda_PairEAMCuda_UnpackComm(&cuda->shared_data, n, first, buf, cu_fp->dev_data());
 }

src/USER-CUDA/pair_eam_cuda.h

@@ -57,8 +57,9 @@ class PairEAMCuda : public PairEAM
                 void init_list(int, class NeighList *);
                 void init_style();
                 void array2spline();
-                int pack_comm(int n, int *iswap, double *buf, int pbc_flag, int *pbc);
+                int pack_forward_comm(int n, int *iswap, double *buf, 
-                void unpack_comm(int n, int first, double *buf);
+                                      int pbc_flag, int *pbc);
+                void unpack_forward_comm(int n, int first, double *buf);
         protected:
                 class Cuda *cuda;
                 void allocate();

src/USER-MISC/pair_cdeam.cpp

@@ -494,7 +494,8 @@ void PairCDEAM::read_h_coeff(char *filename)
 
 /* ---------------------------------------------------------------------- */
 
-int PairCDEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairCDEAM::pack_forward_comm(int n, int *list, double *buf, 
+                                 int pbc_flag, int *pbc)
 {
         int i,j,m;
 
@@ -508,7 +509,7 @@ int PairCDEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
                                 buf[m++] = rhoB[j];
                                 buf[m++] = D_values[j];
                         }
-                        return 4;
+                        return m;
                 }
                 else if(cdeamVersion == 2) {
                         for (i = 0; i < n; i++) {
@@ -517,7 +518,7 @@ int PairCDEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
                                 buf[m++] = rho[j];
                                 buf[m++] = rhoB[j];
                         }
-                        return 3;
+                        return m;
                 }
                 else { ASSERT(false); return 0; }
         }
@@ -526,14 +527,14 @@ int PairCDEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
                         j = list[i];
                         buf[m++] = D_values[j];
                 }
-                return 1;
+                return m;
         }
         else return 0;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairCDEAM::unpack_comm(int n, int first, double *buf)
+void PairCDEAM::unpack_forward_comm(int n, int first, double *buf)
 {
         int i,m,last;
 
@@ -580,14 +581,14 @@ int PairCDEAM::pack_reverse_comm(int n, int first, double *buf)
                                 buf[m++] = rhoB[i];
                                 buf[m++] = D_values[i];
                         }
-                        return 3;
+                        return m;
                 }
                 else if(cdeamVersion == 2) {
                         for(i = first; i < last; i++) {
                                 buf[m++] = rho[i];
                                 buf[m++] = rhoB[i];
                         }
-                        return 2;
+                        return m;
                 }
                 else { ASSERT(false); return 0; }
         }
@@ -595,7 +596,7 @@ int PairCDEAM::pack_reverse_comm(int n, int first, double *buf)
                 for(i = first; i < last; i++) {
                         buf[m++] = D_values[i];
                 }
-                return 1;
+                return m;
         }
         else return 0;
 }

src/USER-MISC/pair_cdeam.h

@@ -41,8 +41,8 @@ public:
   void coeff(int, char **);
 
   /// This is for MPI communication with neighbor nodes.
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
 

src/USER-MISC/pair_meam_spline.cpp

@@ -526,18 +526,19 @@ double PairMEAMSpline::init_one(int i, int j)
 
 /* ---------------------------------------------------------------------- */
 
-int PairMEAMSpline::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairMEAMSpline::pack_forward_comm(int n, int *list, double *buf, 
+                                      int pbc_flag, int *pbc)
 {
         int* list_iter = list;
         int* list_iter_end = list + n;
         while(list_iter != list_iter_end)
                 *buf++ = Uprime_values[*list_iter++];
-        return 1;
+        return n;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairMEAMSpline::unpack_comm(int n, int first, double *buf)
+void PairMEAMSpline::unpack_forward_comm(int n, int first, double *buf)
 {
         memcpy(&Uprime_values[first], buf, n * sizeof(buf[0]));
 }

src/USER-MISC/pair_meam_spline.h

@@ -47,8 +47,8 @@ public:
         void init_list(int, class NeighList *);
         double init_one(int, int);
 
-        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 *);
         int pack_reverse_comm(int, int, double *);
         void unpack_reverse_comm(int, int *, double *);
         double memory_usage();

src/USER-MISC/pair_meam_sw_spline.cpp

@@ -562,18 +562,19 @@ double PairMEAMSWSpline::init_one(int i, int j)
 
 /* ---------------------------------------------------------------------- */
 
-int PairMEAMSWSpline::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
+int PairMEAMSWSpline::pack_forward_comm(int n, int *list, double *buf, 
+                                        int pbc_flag, int *pbc)
 {
         int* list_iter = list;
         int* list_iter_end = list + n;
         while(list_iter != list_iter_end)
                 *buf++ = Uprime_values[*list_iter++];
-        return 1;
+        return n;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairMEAMSWSpline::unpack_comm(int n, int first, double *buf)
+void PairMEAMSWSpline::unpack_forward_comm(int n, int first, double *buf)
 {
         memcpy(&Uprime_values[first], buf, n * sizeof(buf[0]));
 }

src/USER-MISC/pair_meam_sw_spline.h

@@ -47,8 +47,8 @@ public:
         void init_list(int, class NeighList *);
         double init_one(int, int);
 
-        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 *);
         int pack_reverse_comm(int, int, double *);
         void unpack_reverse_comm(int, int *, double *);
         double memory_usage();

src/USER-REAXC/fix_qeq_reax.cpp

@@ -802,8 +802,8 @@ void FixQEqReax::calculate_Q()
 
 /* ---------------------------------------------------------------------- */
 
-int FixQEqReax::pack_comm(int n, int *list, double *buf,
+int FixQEqReax::pack_forward_comm(int n, int *list, double *buf,
-                          int pbc_flag, int *pbc)
+                                  int pbc_flag, int *pbc)
 {
   int m;
 
@@ -816,12 +816,12 @@ int FixQEqReax::pack_comm(int n, int *list, double *buf,
   else if( pack_flag == 4 )
     for(m = 0; m < n; m++) buf[m] = atom->q[list[m]];
 
-  return 1;
+  return n;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixQEqReax::unpack_comm(int n, int first, double *buf)
+void FixQEqReax::unpack_forward_comm(int n, int first, double *buf)
 {
   int i, m;
 
@@ -841,7 +841,7 @@ int FixQEqReax::pack_reverse_comm(int n, int first, double *buf)
 {
   int i, m;
   for(m = 0, i = first; m < n; m++, i++) buf[m] = q[i];
-  return 1;
+  return n;
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-REAXC/fix_qeq_reax.h

@@ -120,8 +120,8 @@ class FixQEqReax : public Fix {
   //int GMRES(double*,double*);
   void sparse_matvec(sparse_matrix*,double*,double*);
 
-  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 *);
   int pack_reverse_comm(int, int, double *);
   void unpack_reverse_comm(int, int *, double *);
   double memory_usage();

src/USER-REAXC/fix_reax_c.cpp

@@ -135,8 +135,8 @@ int FixReaxC::unpack_exchange(int nlocal, double *buf)
 
 /* ---------------------------------------------------------------------- */
 
-int FixReaxC::pack_comm(int n, int *list, double *buf,
+int FixReaxC::pack_forward_comm(int n, int *list, double *buf,
-                         int pbc_flag, int *pbc)
+                                int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -145,12 +145,12 @@ int FixReaxC::pack_comm(int n, int *list, double *buf,
     j = list[i];
     buf[m++] = num_bonds[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixReaxC::unpack_comm(int n, int first, double *buf)
+void FixReaxC::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/USER-REAXC/fix_reax_c.h

@@ -47,8 +47,8 @@ class FixReaxC : public Fix {
   void copy_arrays(int, int, int);
   int pack_exchange(int, double *);
   int unpack_exchange(int, double *);
-  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 *);
 
  private:
   int maxbonds;              // max # of bonds for any atom

src/USER-REAXC/fix_reaxc_species.cpp

@@ -927,8 +927,8 @@ int FixReaxCSpecies::nint(const double &r)
 
 /* ---------------------------------------------------------------------- */
 
-int FixReaxCSpecies::pack_comm(int n, int *list, double *buf, 
+int FixReaxCSpecies::pack_forward_comm(int n, int *list, double *buf, 
-				  int pbc_flag, int *pbc)
+                                       int pbc_flag, int *pbc)
 {
   int i,j,m;
 
@@ -942,12 +942,12 @@ int FixReaxCSpecies::pack_comm(int n, int *list, double *buf,
     buf[m+4] = x0[j].z;
     m += 5;
   }
-  return 5;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixReaxCSpecies::unpack_comm(int n, int first, double *buf)
+void FixReaxCSpecies::unpack_forward_comm(int n, int first, double *buf)
 {
   int i,m,last;
 

src/USER-REAXC/fix_reaxc_species.h

@@ -74,8 +74,8 @@ class FixReaxCSpecies : public Fix {
   int CheckExistence(int, int);
 
   int nint(const double &);
-  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 *);
   void OpenPos();
   void WritePos(int, int);
   double memory_usage();

src/USER-SPH/pair_sph_rhosum.cpp

@@ -287,8 +287,8 @@ double PairSPHRhoSum::single(int i, int j, int itype, int jtype, double rsq,
 
 /* ---------------------------------------------------------------------- */
 
-int PairSPHRhoSum::pack_comm(int n, int *list, double *buf, int pbc_flag,
+int PairSPHRhoSum::pack_forward_comm(int n, int *list, double *buf, 
-    int *pbc) {
+                                     int pbc_flag, int *pbc) {
   int i, j, m;
   double *rho = atom->rho;
 
@@ -297,12 +297,12 @@ int PairSPHRhoSum::pack_comm(int n, int *list, double *buf, int pbc_flag,
     j = list[i];
     buf[m++] = rho[j];
   }
-  return 1;
+  return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairSPHRhoSum::unpack_comm(int n, int first, double *buf) {
+void PairSPHRhoSum::unpack_forward_comm(int n, int first, double *buf) {
   int i, m, last;
   double *rho = atom->rho;
 

src/USER-SPH/pair_sph_rhosum.h

@@ -34,8 +34,8 @@ class PairSPHRhoSum : public Pair {
   void coeff(int, char **);
   virtual double init_one(int, int);
   virtual double single(int, int, int, int, double, double, double, double &);
-  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 *);
 
  protected:
   double **cut;

src/comm_brick.cpp

@@ -911,7 +911,6 @@ void CommBrick::borders()
 
 /* ----------------------------------------------------------------------
    forward communication invoked by a Pair
-   n = constant number of datums per atom
 ------------------------------------------------------------------------- */
 
 void CommBrick::forward_comm_pair(Pair *pair)
@@ -921,29 +920,31 @@ void CommBrick::forward_comm_pair(Pair *pair)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = pair->comm_forward;
+
   for (iswap = 0; iswap < nswap; iswap++) {
 
     // pack buffer
 
-    n = pair->pack_comm(sendnum[iswap],sendlist[iswap],
+    n = pair->pack_forward_comm(sendnum[iswap],sendlist[iswap],
-                        buf_send,pbc_flag[iswap],pbc[iswap]);
+                                buf_send,pbc_flag[iswap],pbc[iswap]);
 
     // exchange with another proc
     // if self, set recv buffer to send buffer
 
     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,
-                  world,&request);
+                  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
 
-    pair->unpack_comm(recvnum[iswap],firstrecv[iswap],buf);
+    pair->unpack_forward_comm(recvnum[iswap],firstrecv[iswap],buf);
   }
 }
 
@@ -959,6 +960,8 @@ void CommBrick::reverse_comm_pair(Pair *pair)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = MAX(pair->comm_reverse,pair->comm_reverse_off);
+
   for (iswap = nswap-1; iswap >= 0; iswap--) {
 
     // pack buffer
@@ -970,10 +973,10 @@ void CommBrick::reverse_comm_pair(Pair *pair)
 
     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;
@@ -996,29 +999,31 @@ void CommBrick::forward_comm_fix(Fix *fix)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = fix->comm_forward;
+
   for (iswap = 0; iswap < nswap; iswap++) {
 
     // pack buffer
 
-    n = fix->pack_comm(sendnum[iswap],sendlist[iswap],
+    n = fix->pack_forward_comm(sendnum[iswap],sendlist[iswap],
-                       buf_send,pbc_flag[iswap],pbc[iswap]);
+                               buf_send,pbc_flag[iswap],pbc[iswap]);
 
     // exchange with another proc
     // if self, set recv buffer to send buffer
 
     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
 
-    fix->unpack_comm(recvnum[iswap],firstrecv[iswap],buf);
+    fix->unpack_forward_comm(recvnum[iswap],firstrecv[iswap],buf);
   }
 }
 
@@ -1034,6 +1039,8 @@ void CommBrick::reverse_comm_fix(Fix *fix)
   MPI_Request request;
   MPI_Status status;
 
+  int nsize = fix->comm_reverse;
+
   for (iswap = nswap-1; iswap >= 0; iswap--) {
 
     // pack buffer
@@ -1045,10 +1052,10 @@ void CommBrick::reverse_comm_fix(Fix *fix)
 
     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;
@@ -1075,8 +1082,8 @@ void CommBrick::forward_comm_variable_fix(Fix *fix)
 
     // pack buffer
 
-    n = fix->pack_comm(sendnum[iswap],sendlist[iswap],
+    n = fix->pack_forward_comm(sendnum[iswap],sendlist[iswap],
-                       buf_send,pbc_flag[iswap],pbc[iswap]);
+                               buf_send,pbc_flag[iswap],pbc[iswap]);
 
     // exchange with another proc
     // if self, set recv buffer to send buffer
@@ -1093,7 +1100,7 @@ void CommBrick::forward_comm_variable_fix(Fix *fix)
 
     // unpack buffer
 
-    fix->unpack_comm(recvnum[iswap],firstrecv[iswap],buf);
+    fix->unpack_forward_comm(recvnum[iswap],firstrecv[iswap],buf);
   }
 }
 

src/comm_tiled.cpp

@@ -1273,7 +1273,6 @@ void CommTiled::borders()
 
 /* ----------------------------------------------------------------------
    forward communication invoked by a Pair
-   n = constant number of datums per atom
 ------------------------------------------------------------------------- */
 
 void CommTiled::forward_comm_pair(Pair *pair)
@@ -1281,8 +1280,7 @@ void CommTiled::forward_comm_pair(Pair *pair)
   int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
-  // NOTE: what to do about nsize ???
+  int nsize = pair->comm_forward;
-  int nsize = 1;
 
   for (int iswap = 0; iswap < nswap; iswap++) {
     nsend = nsendproc[iswap] - sendself[iswap];
@@ -1296,22 +1294,24 @@ void CommTiled::forward_comm_pair(Pair *pair)
     }
     if (sendother[iswap]) {
       for (i = 0; i < nsendproc[iswap]; i++) {
-        n = pair->pack_comm(sendnum[iswap][i],sendlist[iswap][i],
+        n = pair->pack_forward_comm(sendnum[iswap][i],sendlist[iswap][i],
-                            buf_send,pbc_flag[iswap][i],pbc[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]) {
-      pair->pack_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
+      pair->pack_forward_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
-                      buf_send,pbc_flag[iswap][nsend],pbc[iswap][nsend]);
+                              buf_send,pbc_flag[iswap][nsend],
-      pair->unpack_comm(recvnum[iswap][nrecv],firstrecv[iswap][nrecv],
+                              pbc[iswap][nsend]);
-                        buf_send);
+      pair->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);
-        pair->unpack_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
+        pair->unpack_forward_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
-                          &buf_recv[nsize*forward_recv_offset[iswap][irecv]]);
+                                  &buf_recv[nsize*
+                                            forward_recv_offset[iswap][irecv]]);
       }
     }
   }
@@ -1327,8 +1327,7 @@ void CommTiled::reverse_comm_pair(Pair *pair)
   int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
-  // NOTE: what to do about nsize ???
+  int nsize = MAX(pair->comm_reverse,pair->comm_reverse_off);
-  int nsize = 1;
 
   for (int iswap = nswap-1; iswap >= 0; iswap--) {
     nsend = nsendproc[iswap] - sendself[iswap];
@@ -1371,31 +1370,42 @@ void CommTiled::reverse_comm_pair(Pair *pair)
 
 void CommTiled::forward_comm_fix(Fix *fix)
 {
-  int i,irecv,n;
+  int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
-  for (int iswap = 0; iswap < nswap; iswap++) {
+  int nsize = fix->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 = fix->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);
-        fix->unpack_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
-                         &buf_recv[forward_recv_offset[iswap][irecv]]);
-      }
 
-    } else {
+  for (int iswap = 0; iswap < nswap; iswap++) {
-      n = fix->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];
-      fix->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 = fix->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]) {
+      fix->pack_forward_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
+                             buf_send,pbc_flag[iswap][nsend],
+                             pbc[iswap][nsend]);
+      fix->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);
+        fix->unpack_forward_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
+                                 &buf_recv[nsize*
+                                           forward_recv_offset[iswap][irecv]]);
+      }
     }
   }
 }
@@ -1407,31 +1417,41 @@ void CommTiled::forward_comm_fix(Fix *fix)
 
 void CommTiled::reverse_comm_fix(Fix *fix)
 {
-  int i,irecv,n;
+  int i,irecv,n,nsend,nrecv;
   MPI_Status status;
 
+  int nsize = fix->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 = fix->pack_reverse_comm(recvnum[iswap][i],firstrecv[iswap][i],
                                    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]) {
+      fix->pack_reverse_comm(recvnum[iswap][nrecv],firstrecv[iswap][nrecv],
+                             buf_send);
+      fix->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);
         fix->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 = fix->pack_reverse_comm(recvnum[iswap][0],firstrecv[iswap][0],
-                                 buf_send);
-      fix->unpack_reverse_comm(sendnum[iswap][0],sendlist[iswap][0],buf_send);
     }
   }
 }
@@ -1616,6 +1636,8 @@ void CommTiled::forward_comm_array(int nsize, double **array)
     nsend = nsendproc[iswap] - sendself[iswap];
     nrecv = nrecvproc[iswap] - sendself[iswap];
 
+    MPI_Barrier(world);
+
     if (recvother[iswap]) {
       for (i = 0; i < nrecv; i++)
         MPI_Irecv(&buf_recv[nsize*forward_recv_offset[iswap][i]],
@@ -1651,7 +1673,7 @@ void CommTiled::forward_comm_array(int nsize, double **array)
     if (recvother[iswap]) {
       for (i = 0; i < nrecv; i++) {
         MPI_Waitany(nrecv,requests,&irecv,&status);
-        m = 0;
+        m = nsize*forward_recv_offset[iswap][irecv];
         last = firstrecv[iswap][irecv] + recvnum[iswap][irecv];
         for (iatom = firstrecv[iswap][irecv]; iatom < last; iatom++)
           for (k = 0; k < nsize; k++)

src/fix.h

@@ -162,8 +162,8 @@ class Fix : protected Pointers {
   virtual double max_alpha(double *) {return 0.0;}
   virtual int min_dof() {return 0;}
 
-  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/pair.h

@@ -163,8 +163,8 @@ class Pair : protected Pointers {
   virtual void write_data(FILE *) {}
   virtual void write_data_all(FILE *) {}
 
-  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 *) {}
   virtual double memory_usage();