git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11946 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/balance.cpp

@@ -300,7 +300,7 @@ void Balance::command(int narg, char **arg)
 
   if (domain->triclinic) domain->x2lamda(atom->nlocal);
   Irregular *irregular = new Irregular(lmp);
-  irregular->migrate_atoms();
+  irregular->migrate_atoms(1);
   delete irregular;
   if (domain->triclinic) domain->lamda2x(atom->nlocal);
 

src/change_box.cpp

@@ -362,7 +362,7 @@ void ChangeBox::command(int narg, char **arg)
   if (domain->triclinic) domain->x2lamda(atom->nlocal);
   domain->reset_box();
   Irregular *irregular = new Irregular(lmp);
-  irregular->migrate_atoms();
+  irregular->migrate_atoms(1);
   delete irregular;
   if (domain->triclinic) domain->lamda2x(atom->nlocal);
 

src/create_atoms.cpp

@@ -400,7 +400,7 @@ void CreateAtoms::command(int narg, char **arg)
     if (domain->triclinic) domain->x2lamda(atom->nlocal);
     domain->reset_box();
     Irregular *irregular = new Irregular(lmp);
-    irregular->migrate_atoms();
+    irregular->migrate_atoms(1);
     delete irregular;
     if (domain->triclinic) domain->lamda2x(atom->nlocal);
   }

src/displace_atoms.cpp

@@ -270,7 +270,7 @@ void DisplaceAtoms::command(int narg, char **arg)
   if (domain->triclinic) domain->x2lamda(atom->nlocal);
   domain->reset_box();
   Irregular *irregular = new Irregular(lmp);
-  irregular->migrate_atoms();
+  irregular->migrate_atoms(1);
   delete irregular;
   if (domain->triclinic) domain->lamda2x(atom->nlocal);
 

src/irregular.cpp

@@ -78,7 +78,7 @@ Irregular::~Irregular()
    for triclinic: atoms must be in lamda coords (0-1) before this is called
 ------------------------------------------------------------------------- */
 
-void Irregular::migrate_atoms()
+void Irregular::migrate_atoms(int sortflag)
 {
   // clear global->local map since atoms move to new procs
   // clear old ghosts so map_set() at end will operate only on local atoms
@@ -145,10 +145,8 @@ void Irregular::migrate_atoms()
 
   // create irregular communication plan, perform comm, destroy plan
   // returned nrecv = size of buffer needed for incoming atoms
-  // debug: turn on sorting for repoducible irregular() via extra final arg
 
-  //int nrecv = create_atom(nsendatom,sizes,proclist,1);
+  int nrecv = create_atom(nsendatom,sizes,proclist,sortflag);
-  int nrecv = create_atom(nsendatom,sizes,proclist);
   if (nrecv > maxrecv) grow_recv(nrecv);
   exchange_atom(buf_send,sizes,buf_recv);
   destroy_atom();
@@ -255,7 +253,7 @@ int Irregular::migrate_check()
    return total # of doubles I will recv (not including self)
 ------------------------------------------------------------------------- */
 
-int Irregular::create_atom(int n, int *sizes, int *proclist, int sort)
+int Irregular::create_atom(int n, int *sizes, int *proclist, int sortflag)
 {
   int i;
 
@@ -370,7 +368,7 @@ int Irregular::create_atom(int n, int *sizes, int *proclist, int sort)
   // useful for debugging to insure reproducible ordering of received atoms
   // invoke by adding final arg = 1 to create_atom() call in migrate_atoms()
 
-  if (sort) {
+  if (sortflag) {
     int *order = new int[nrecv];
     int *proc_recv_ordered = new int[nrecv];
     int *length_recv_ordered = new int[nrecv];

src/irregular.h

@@ -27,7 +27,7 @@ class Irregular : protected Pointers {
 
   Irregular(class LAMMPS *);
   ~Irregular();
-  void migrate_atoms();
+  void migrate_atoms(int sortflag = 0);
   int migrate_check();
   int create_data(int, int *);
   void exchange_data(char *, int, char *);
@@ -87,7 +87,7 @@ class Irregular : protected Pointers {
   PlanAtom *aplan;
   PlanData *dplan;
 
-  int create_atom(int, int *, int *, int sort = 0);
+  int create_atom(int, int *, int *, int);
   void exchange_atom(double *, int *, double *);
   void destroy_atom();
   int coord2proc(double *, int &, int &, int &);

src/read_dump.cpp

@@ -547,7 +547,7 @@ void ReadDump::atoms()
   if (triclinic) domain->x2lamda(atom->nlocal);
   domain->reset_box();
   Irregular *irregular = new Irregular(lmp);
-  irregular->migrate_atoms();
+  irregular->migrate_atoms(1);
   delete irregular;
   if (triclinic) domain->lamda2x(atom->nlocal);
 

src/read_restart.cpp

@@ -429,13 +429,14 @@ void ReadRestart::command(int narg, char **arg)
     }
 
     // move atoms to new processors via irregular()
+    // turn sorting on in migrate_atoms() to avoid non-reproducible restarts
     // in case read by different proc than wrote restart file
     // first do map_init() since irregular->migrate_atoms() will do map_clear()
 
     if (atom->map_style) atom->map_init();
     if (domain->triclinic) domain->x2lamda(atom->nlocal);
     Irregular *irregular = new Irregular(lmp);
-    irregular->migrate_atoms();
+    irregular->migrate_atoms(1);
     delete irregular;
     if (domain->triclinic) domain->lamda2x(atom->nlocal);