remove cached copy of "layout" since this was not always initialized when used

src/KOKKOS/grid3d_kokkos.cpp

@@ -640,7 +640,7 @@ void Grid3dKokkos<DeviceType>::forward_comm(int caller, void *ptr, int which, in
                             MPI_Datatype datatype)
 {
   if (caller == KSPACE) {
-    if (layout != Comm::LAYOUT_TILED)
+    if (comm->layout != Comm::LAYOUT_TILED)
     forward_comm_kspace_brick((KSpace *) ptr,which,nper,k_buf1,k_buf2,datatype);
   else
     forward_comm_kspace_tiled((KSpace *) ptr,which,nper,k_buf1,k_buf2,datatype);
@@ -780,7 +780,7 @@ void Grid3dKokkos<DeviceType>::reverse_comm(int caller, void *ptr, int which, in
                             MPI_Datatype datatype)
 {
   if (caller == KSPACE) {
-    if (layout != Comm::LAYOUT_TILED)
+    if (comm->layout != Comm::LAYOUT_TILED)
       reverse_comm_kspace_brick((KSpace *) ptr,which,nper,k_buf1,k_buf2,datatype);
     else
       reverse_comm_kspace_tiled((KSpace *) ptr,which,nper,k_buf1,k_buf2,datatype);

src/grid2d.cpp

@@ -114,7 +114,7 @@ Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int ixlo, int ixhi
   // additional intialization
   // other constructor invokes this from setup_grid()
 
-  initialize();
+  Grid2d::initialize();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -522,7 +522,7 @@ void Grid2d::ghost_grid()
   // also ensure no other procs use ghost cells beyond +y limit
 
   if (yextra) {
-    if (layout != Comm::LAYOUT_TILED) {
+    if (comm->layout != Comm::LAYOUT_TILED) {
       if (comm->myloc[1] == comm->procgrid[1]-1) inyhi = outyhi = ny - 1;
     } else {
       if (comm->mysplit[1][1] == 1.0) inyhi = outyhi = ny - 1;
@@ -553,15 +553,13 @@ void Grid2d::ghost_grid()
 
 void Grid2d::extract_comm_info()
 {
-  layout = comm->layout;
-
   // for non TILED layout:
   // proc xyz lohi = my 4 neighbor procs in this MPI_Comm
   //   these proc IDs can be overridden by caller using set_proc_neighs()
   // xyz split = copy of 1d vectors in Comm
   // grid2proc = copy of 3d array in Comm
 
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     procxlo = comm->procneigh[0][0];
     procxhi = comm->procneigh[0][1];
     procylo = comm->procneigh[1][0];
@@ -585,7 +583,7 @@ void Grid2d::extract_comm_info()
   // RCBinfo.cut = this proc's inlo in that dim
   // Allgather creates the tree of dims and cuts
 
-  if (layout == Comm::LAYOUT_TILED) {
+  if (comm->layout == Comm::LAYOUT_TILED) {
     rcbinfo = (RCBinfo *)
       memory->smalloc(nprocs*sizeof(RCBinfo),"grid3d:rcbinfo");
     RCBinfo rcbone;
@@ -615,7 +613,7 @@ void Grid2d::extract_comm_info()
 
 void Grid2d::setup_comm(int &nbuf1, int &nbuf2)
 {
-  if (layout != Comm::LAYOUT_TILED) setup_comm_brick(nbuf1,nbuf2);
+  if (comm->layout != Comm::LAYOUT_TILED) setup_comm_brick(nbuf1,nbuf2);
   else setup_comm_tiled(nbuf1,nbuf2);
 }
 
@@ -1039,7 +1037,7 @@ void Grid2d::setup_comm_tiled(int &nbuf1, int &nbuf2)
 
 int Grid2d::ghost_adjacent()
 {
-  if (layout != Comm::LAYOUT_TILED) return ghost_adjacent_brick();
+  if (comm->layout != Comm::LAYOUT_TILED) return ghost_adjacent_brick();
   return ghost_adjacent_tiled();
 }
 
@@ -1085,7 +1083,7 @@ int Grid2d::ghost_adjacent_tiled()
 void Grid2d::forward_comm(int caller, void *ptr, int which, int nper, int nbyte,
                           void *buf1, void *buf2, MPI_Datatype datatype)
 {
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     if (caller == KSPACE)
       forward_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
                                  buf1,buf2,datatype);
@@ -1190,7 +1188,7 @@ forward_comm_tiled(T *ptr, int which, int nper, int nbyte,
 void Grid2d::reverse_comm(int caller, void *ptr, int which, int nper, int nbyte,
                           void *buf1, void *buf2, MPI_Datatype datatype)
 {
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     if (caller == KSPACE)
       reverse_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
                                  buf1,buf2,datatype);
@@ -1314,10 +1312,6 @@ void Grid2d::setup_remap(Grid2d *old, int &nremap_buf1, int &nremap_buf2)
 
   deallocate_remap();
 
-  // set layout to current Comm layout
-
-  layout = comm->layout;
-
   // overlaps of my old decomp owned box with all owned boxes in new decomp
   // noverlap_old = # of overlaps, including self
   // overlap_old = vector of overlap info in Overlap data struct
@@ -1654,7 +1648,7 @@ int Grid2d::compute_overlap(int ghostflag, int *box, int *pbc, Overlap *&overlap
 
   // test obox against appropriate layout
 
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
 
     // find comm->procgrid indices in each dim for box bounds
 

src/grid2d.h

@@ -55,7 +55,6 @@ class Grid2d : protected Pointers {
 
  protected:
   int me, nprocs;
-  int layout;           // not TILED or TILED, same as Comm class
   MPI_Comm gridcomm;    // communicator for this class
                         // usually world, but MSM calls with subset
 

src/grid3d.cpp

@@ -123,7 +123,7 @@ Grid3d::Grid3d(LAMMPS *lmp, MPI_Comm gcomm, int gnx, int gny, int gnz,
   // additional intialization
   // other constructor invokes this from setup_grid()
 
-  initialize();
+  Grid3d::initialize();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -577,7 +577,7 @@ void Grid3d::ghost_grid()
   // also ensure no other procs use ghost cells beyond +z limit
 
   if (zextra) {
-    if (layout != Comm::LAYOUT_TILED) {
+    if (comm->layout != Comm::LAYOUT_TILED) {
       if (comm->myloc[2] == comm->procgrid[2]-1) inzhi = outzhi = nz - 1;
     } else {
       if (comm->mysplit[2][1] == 1.0) inzhi = outzhi = nz - 1;
@@ -613,15 +613,13 @@ void Grid3d::ghost_grid()
 
 void Grid3d::extract_comm_info()
 {
-  layout = comm->layout;
-
   // for non TILED layout:
   // proc xyz lohi = my 6 neighbor procs in this MPI_Comm
   //   these proc IDs can be overridden by caller using set_proc_neighs()
   // xyz split = copy of 1d vectors in Comm
   // grid2proc = copy of 3d array in Comm
 
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     procxlo = comm->procneigh[0][0];
     procxhi = comm->procneigh[0][1];
     procylo = comm->procneigh[1][0];
@@ -649,7 +647,7 @@ void Grid3d::extract_comm_info()
   // RCBinfo.cut = this proc's inlo in that dim
   // Allgather creates the tree of dims and cuts
 
-  if (layout == Comm::LAYOUT_TILED) {
+  if (comm->layout == Comm::LAYOUT_TILED) {
     rcbinfo = (RCBinfo *)
       memory->smalloc(nprocs*sizeof(RCBinfo),"grid3d:rcbinfo");
     RCBinfo rcbone;
@@ -680,7 +678,7 @@ void Grid3d::extract_comm_info()
 
 void Grid3d::setup_comm(int &nbuf1, int &nbuf2)
 {
-  if (layout != Comm::LAYOUT_TILED) setup_comm_brick(nbuf1,nbuf2);
+  if (comm->layout != Comm::LAYOUT_TILED) setup_comm_brick(nbuf1,nbuf2);
   else setup_comm_tiled(nbuf1,nbuf2);
 }
 
@@ -1207,7 +1205,7 @@ void Grid3d::setup_comm_tiled(int &nbuf1, int &nbuf2)
 
 int Grid3d::ghost_adjacent()
 {
-  if (layout != Comm::LAYOUT_TILED) return ghost_adjacent_brick();
+  if (comm->layout != Comm::LAYOUT_TILED) return ghost_adjacent_brick();
   return ghost_adjacent_tiled();
 }
 
@@ -1255,7 +1253,7 @@ int Grid3d::ghost_adjacent_tiled()
 void Grid3d::forward_comm(int caller, void *ptr, int which, int nper, int nbyte,
                             void *buf1, void *buf2, MPI_Datatype datatype)
 {
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     if (caller == KSPACE)
       forward_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
                                  buf1,buf2,datatype);
@@ -1360,7 +1358,7 @@ forward_comm_tiled(T *ptr, int which, int nper, int nbyte,
 void Grid3d::reverse_comm(int caller, void *ptr, int which, int nper, int nbyte,
                             void *buf1, void *buf2, MPI_Datatype datatype)
 {
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
     if (caller == KSPACE)
       reverse_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
                                 buf1,buf2,datatype);
@@ -1484,10 +1482,6 @@ void Grid3d::setup_remap(Grid3d *old, int &nremap_buf1, int &nremap_buf2)
 
   deallocate_remap();
 
-  // set layout to current Comm layout
-
-  layout = comm->layout;
-
   // overlaps of my old decomp owned box with all owned boxes in new decomp
   // noverlap_old = # of overlaps, including self
   // overlap_old = vector of overlap info in Overlap data struct
@@ -1829,7 +1823,7 @@ int Grid3d::compute_overlap(int ghostflag, int *box, int *pbc, Overlap *&overlap
     return noverlap_list;
   }
 
-  if (layout != Comm::LAYOUT_TILED) {
+  if (comm->layout != Comm::LAYOUT_TILED) {
 
     // find comm->procgrid indices in each dim for box bounds
 

src/grid3d.h

@@ -57,7 +57,6 @@ class Grid3d : protected Pointers {
 
  protected:
   int me, nprocs;
-  int layout;           // not TILED or TILED, same as Comm class
   MPI_Comm gridcomm;    // communicator for this class
                         // usually world, but MSM calls with subset