git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/accelerator_kokkos.h

@@ -82,6 +82,12 @@ class ModifyKokkos : public Modify {
   ~ModifyKokkos() {}
 };
 
+class DAT {
+ public:
+  typedef double tdual_xfloat_1d;
+  typedef int tdual_int_2d;
+};
+
 }
 
 #endif

src/fix.cpp

@@ -91,15 +91,19 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   execution_space = Host;
   datamask_read = ALL_MASK;
   datamask_modify = ALL_MASK;
+
+  copymode = 0;
 }
 
 /* ---------------------------------------------------------------------- */
 
 Fix::~Fix()
 {
-  delete [] id;
-  delete [] style;
-  memory->destroy(vatom);
+  if (!copymode) {
+    delete [] id;
+    delete [] style;
+    memory->destroy(vatom);
+  }
 }
 
 /* ----------------------------------------------------------------------

src/fix.h

@@ -209,6 +209,9 @@ class Fix : protected Pointers {
   int vflag_global,vflag_atom;
   int maxvatom;
 
+  int copymode;   // if set, do not deallocate during destruction
+                  // required when classes are used as functors by Kokkos
+
   void v_setup(int);
   void v_tally(int, int *, double, double *);
 

src/pair.cpp

@@ -104,14 +104,18 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
   execution_space = Host;
   datamask_read = ALL_MASK;
   datamask_modify = ALL_MASK;
+
+  copymode = 0;
 }
 
 /* ---------------------------------------------------------------------- */
 
 Pair::~Pair()
 {
-  memory->destroy(eatom);
-  memory->destroy(vatom);
+  if (!copymode) {
+    memory->destroy(eatom);
+    memory->destroy(vatom);
+  }
 }
 
 /* ----------------------------------------------------------------------

src/pair.h

@@ -15,6 +15,7 @@
 #define LMP_PAIR_H
 
 #include "pointers.h"
+#include "accelerator_kokkos.h"
 
 namespace LAMMPS_NS {
 
@@ -167,6 +168,8 @@ class Pair : protected Pointers {
 
   virtual int pack_forward_comm(int, int *, double *, int, int *) {return 0;}
   virtual void unpack_forward_comm(int, int, double *) {}
+  virtual int pack_forward_comm_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, int, int *) {return 0;};
+  virtual void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d&) {}
   virtual int pack_reverse_comm(int, int, double *) {return 0;}
   virtual void unpack_reverse_comm(int, int *, double *) {}
   virtual double memory_usage();
@@ -207,6 +210,9 @@ class Pair : protected Pointers {
   int vflag_fdotr;
   int maxeatom,maxvatom;
 
+  int copymode;   // if set, do not deallocate during destruction
+                  // required when classes are used as functors by Kokkos
+
   virtual void ev_setup(int, int);
   void ev_unset();
   void ev_tally_full(int, double, double, double, double, double, double);

src/pair_buck.cpp

@@ -38,7 +38,7 @@ PairBuck::PairBuck(LAMMPS *lmp) : Pair(lmp)
 
 PairBuck::~PairBuck()
 {
-  if (allocated) {
+  if (allocated && !copymode) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 

src/pair_buck.h

@@ -47,7 +47,7 @@ class PairBuck : public Pair {
   double **a,**rho,**c;
   double **rhoinv,**buck1,**buck2,**offset;
 
-  void allocate();
+  virtual void allocate();
 };
 
 }

src/pair_coul_dsf.cpp

@@ -52,7 +52,7 @@ PairCoulDSF::PairCoulDSF(LAMMPS *lmp) : Pair(lmp)
 
 PairCoulDSF::~PairCoulDSF()
 {
-  if (allocated) {
+  if (allocated && !copymode) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
   }

src/pair_coul_wolf.cpp

@@ -43,7 +43,7 @@ PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp)
 
 PairCoulWolf::~PairCoulWolf()
 {
-  if (allocated) {
+  if (allocated && !copymode) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
   }