git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6335 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/comm.h

@@ -26,10 +26,6 @@ class Comm : protected Pointers {
   int myloc[3];                     // which proc I am in each dim
   int procneigh[3][2];              // my 6 neighboring procs
   int ghost_velocity;               // 1 if ghost atoms have velocity, 0 if not
-  int maxforward_fix;               // comm sizes called from Fix,Pair
-  int maxreverse_fix;
-  int maxforward_pair;
-  int maxreverse_pair;
   double cutghost[3];               // cutoffs used for acquiring ghost atoms
   double cutghostuser;              // user-specified ghost cutoff
   int ***grid2proc;                 // which proc owns i,j,k loc in 3d grid
@@ -45,12 +41,14 @@ class Comm : protected Pointers {
   virtual void exchange();                  // move atoms to new procs
   virtual void borders();                   // setup list of atoms to communicate
 
-  virtual void forward_comm_pair(class Pair *);        // forward comm from a Pair
+  virtual void forward_comm_pair(class Pair *);    // forward comm from a Pair
-  virtual void reverse_comm_pair(class Pair *);        // reverse comm from a Pair
+  virtual void reverse_comm_pair(class Pair *);    // reverse comm from a Pair
-  virtual void forward_comm_fix(class Fix *);          // forward comm from a Fix
+  virtual void forward_comm_fix(class Fix *);      // forward comm from a Fix
-  virtual void reverse_comm_fix(class Fix *);          // reverse comm from a Fix
+  virtual void reverse_comm_fix(class Fix *);      // reverse comm from a Fix
-  virtual void forward_comm_compute(class Compute *);  // forward comm from a Compute
+  virtual void forward_comm_compute(class Compute *);  // forward from a Compute
-  virtual void reverse_comm_compute(class Compute *);  // reverse comm from a Compute
+  virtual void reverse_comm_compute(class Compute *);  // reverse from a Compute
+  virtual void forward_comm_dump(class Dump *);    // forward comm from a Dump
+  virtual void reverse_comm_dump(class Dump *);    // reverse comm from a Dump
 
   virtual void set(int, char **);           // set communication style
   virtual bigint memory_usage();

src/dump.cpp

@@ -63,6 +63,8 @@ Dump::Dump(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   filename = new char[n];
   strcpy(filename,arg[4]);
 
+  comm_forward = comm_reverse = 0;
+
   first_flag = 0;
   flush_flag = 1;
   format = NULL;

src/dump.h

@@ -28,6 +28,9 @@ class Dump : protected Pointers {
   int first_flag;            // 0 if no initial dump, 1 if yes initial dump
   int clearstep;             // 1 if dump invokes computes, 0 if not
 
+  int comm_forward;          // size of forward communication (0 if none)
+  int comm_reverse;          // size of reverse communication (0 if none)
+
   // static variable across all Dump objects
 
   static Dump *dumpptr;         // holds a ptr to Dump currently being used
@@ -36,6 +39,12 @@ class Dump : protected Pointers {
   virtual ~Dump();
   void init();
   virtual void write();
+
+  virtual int pack_comm(int, int *, double *, int, int *) {return 0;}
+  virtual void unpack_comm(int, int, double *) {}
+  virtual int pack_reverse_comm(int, int, double *) {return 0;}
+  virtual void unpack_reverse_comm(int, int *, double *) {}
+
   void modify_params(int, char **);
   virtual bigint memory_usage();
 

src/dump_custom.h

@@ -47,6 +47,7 @@ class DumpCustom : public Dump {
   int maxlocal;              // size of atom selection and variable arrays
   int *choose;               // local indices of selected atoms
   double *dchoose;           // value for each atom to threshhold against
+  int *clist;                // compressed list of indices of selected atoms
 
   int nfield;                // # of keywords listed by user
   int ioptional;             // index of start of optional args

src/force.cpp

@@ -103,8 +103,6 @@ void Force::init()
 {
   qqrd2e = qqr2e/dielectric;
 
-  comm->maxforward_pair = comm->maxreverse_pair = 0;
-
   if (kspace) kspace->init();         // kspace must come before pair
   if (pair) pair->init();             // so g_ewald is defined
   if (bond) bond->init();