git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/angle.cpp

@@ -42,6 +42,10 @@ Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
+
+  execution_space = Host;
+  datamask_read = ALL_MASK;
+  datamask_modify = ALL_MASK;
 }
 
 /* ---------------------------------------------------------------------- */

src/angle.h

@@ -32,6 +32,10 @@ class Angle : protected Pointers {
   unsigned int datamask;
   unsigned int datamask_ext;
 
+  // KOKKOS host/device flag and data masks
+  ExecutionSpace execution_space;
+  unsigned int datamask_read,datamask_modify;
+
   Angle(class LAMMPS *);
   virtual ~Angle();
   virtual void init();

src/bond.cpp

@@ -43,6 +43,10 @@ Bond::Bond(LAMMPS *lmp) : Pointers(lmp)
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
+
+  execution_space = Host;
+  datamask_read = ALL_MASK;
+  datamask_modify = ALL_MASK;
 }
 
 /* ---------------------------------------------------------------------- */

src/bond.h

@@ -32,6 +32,10 @@ class Bond : protected Pointers {
   unsigned int datamask;
   unsigned int datamask_ext;
 
+  // KOKKOS host/device flag and data masks
+  ExecutionSpace execution_space;
+  unsigned int datamask_read,datamask_modify;
+
   Bond(class LAMMPS *);
   virtual ~Bond();
   virtual void init();

src/dihedral.cpp

@@ -43,6 +43,10 @@ Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp)
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
+
+  execution_space = Host;
+  datamask_read = ALL_MASK;
+  datamask_modify = ALL_MASK;
 }
 
 /* ---------------------------------------------------------------------- */

src/dihedral.h

@@ -32,6 +32,10 @@ class Dihedral : protected Pointers {
   unsigned int datamask;
   unsigned int datamask_ext;
 
+  // KOKKOS host/device flag and data masks
+  ExecutionSpace execution_space;
+  unsigned int datamask_read,datamask_modify;
+
   Dihedral(class LAMMPS *);
   virtual ~Dihedral();
   virtual void init();

src/fix_langevin.cpp

@@ -73,7 +73,7 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
 
   t_stop = force->numeric(FLERR,arg[4]);
   t_period = force->numeric(FLERR,arg[5]);
-  int seed = force->inumeric(FLERR,arg[6]);
+  seed = force->inumeric(FLERR,arg[6]);
 
   if (t_period <= 0.0) error->all(FLERR,"Fix langevin period must be > 0.0");
   if (seed <= 0) error->all(FLERR,"Illegal fix langevin command");

src/fix_langevin.h

@@ -69,6 +69,7 @@ class FixLangevin : public Fix {
 
   int nlevels_respa;
   class RanMars *random;
+  int seed;
 
   // comment next line to turn off templating
 #define TEMPLATED_FIX_LANGEVIN

src/improper.cpp

@@ -40,6 +40,10 @@ Improper::Improper(LAMMPS *lmp) : Pointers(lmp)
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
+
+  execution_space = Host;
+  datamask_read = ALL_MASK;
+  datamask_modify = ALL_MASK;
 }
 
 /* ---------------------------------------------------------------------- */

src/improper.h

@@ -32,6 +32,10 @@ class Improper : protected Pointers {
   unsigned int datamask;
   unsigned int datamask_ext;
 
+  // KOKKOS host/device flag and data masks
+  ExecutionSpace execution_space;
+  unsigned int datamask_read,datamask_modify;
+
   Improper(class LAMMPS *);
   virtual ~Improper();
   virtual void init();

src/kspace.cpp

@@ -88,6 +88,10 @@ KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
 
+  execution_space = Host;
+  datamask_read = ALL_MASK;
+  datamask_modify = ALL_MASK;
+
   memory->create(gcons,7,7,"kspace:gcons");
   gcons[2][0] = 15.0 / 8.0;
   gcons[2][1] = -5.0 / 4.0;

src/kspace.h

@@ -76,6 +76,10 @@ class KSpace : protected Pointers {
   unsigned int datamask;
   unsigned int datamask_ext;
 
+  // KOKKOS host/device flag and data masks
+  ExecutionSpace execution_space;
+  unsigned int datamask_read,datamask_modify;
+
   int compute_flag;               // 0 if skip compute()
   int fftbench;                   // 0 if skip FFT timing
   int collective_flag;            // 1 if use MPI collectives for FFT/remap

src/memory.h

@@ -568,6 +568,7 @@ class Memory : protected Pointers {
   template <typename TYPE>
   bigint usage(TYPE *array, int n)
   {
+    (void) array;
     bigint bytes = ((bigint) sizeof(TYPE)) * n;
     return bytes;
   }
@@ -575,6 +576,7 @@ class Memory : protected Pointers {
   template <typename TYPE>
   bigint usage(TYPE **array, int n1, int n2)
   {
+    (void) array;
     bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2;
     bytes += ((bigint) sizeof(TYPE *)) * n1;
     return bytes;
@@ -583,6 +585,7 @@ class Memory : protected Pointers {
   template <typename TYPE>
   bigint usage(TYPE ***array, int n1, int n2, int n3)
   {
+    (void) array;
     bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2*n3;
     bytes += ((bigint) sizeof(TYPE *)) * n1*n2;
     bytes += ((bigint) sizeof(TYPE **)) * n1;
@@ -592,6 +595,7 @@ class Memory : protected Pointers {
   template <typename TYPE>
   bigint usage(TYPE ****array, int n1, int n2, int n3, int n4)
   {
+    (void) array;
     bigint bytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4;
     bytes += ((bigint) sizeof(TYPE *)) * n1*n2*n3;
     bytes += ((bigint) sizeof(TYPE **)) * n1*n2;