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small bookkeeping changes

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This commit is contained in:
Steve Plimpton
2022-11-30 09:51:13 -07:00
parent 47d46e0257
commit d32da83eb6
11 changed files with 123 additions and 114 deletions
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11
doc/src/Developer_grid.rst
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@ -820,7 +820,7 @@ array. Example code snippets with this logic were listed above,
Final notes
^^^^^^^^^^^
Finally, here are two additional issues to pay attention to for
Finally, here are some additional issues to pay attention to for
writing any style command which uses distributed grids via the Grid2d
or Grid3d class.
@ -833,3 +833,12 @@ it should have logic to instantiate either 2d or 3d grids and their
associated data arrays, depending on the dimension of the simulation
box. The :doc:`fix ave/grid <fix_ave_grid>` command is an example of
such a command.
When a command maps its particles to the grid and updates grid cell
values, it should check that it is not updating or accessing a grid
cell value outside the range of its owned+ghost cells, and generate an
error message if that is the case. This could happen, for example, if
a particle has moved further than half the neighbor skin distance,
because the neighbor list update criterion are not adequate to prevent
it from happening. See the src/KSPACE/pppm.cpp file and its
*particle_map()* method for an example of this kind of error check.

56
src/AMOEBA/pair_amoeba.cpp
View File

@ -1448,34 +1448,34 @@ void PairAmoeba::reset_grid()
pack own values to buf to send to another proc
------------------------------------------------------------------------- */
void PairAmoeba::pack_forward_grid(int flag, void *vbuf, int nlist, int *list)
void PairAmoeba::pack_forward_grid(int which, void *vbuf, int nlist, int *list)
{
FFT_SCALAR *buf = (FFT_SCALAR *) vbuf;
if (flag == MPOLE_GRID) {
if (which == MPOLE_GRID) {
FFT_SCALAR *src = m_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == POLAR_GRID) {
} else if (which == POLAR_GRID) {
FFT_SCALAR *src = p_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == POLAR_GRIDC) {
} else if (which == POLAR_GRIDC) {
FFT_SCALAR *src = pc_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
buf[n++] = src[2*list[i]];
buf[n++] = src[2*list[i]+1];
}
} else if (flag == DISP_GRID) {
} else if (which == DISP_GRID) {
FFT_SCALAR *src = d_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == INDUCE_GRID) {
} else if (which == INDUCE_GRID) {
FFT_SCALAR *src = i_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == INDUCE_GRIDC) {
} else if (which == INDUCE_GRIDC) {
FFT_SCALAR *src = ic_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
@ -1489,34 +1489,34 @@ void PairAmoeba::pack_forward_grid(int flag, void *vbuf, int nlist, int *list)
unpack another proc's own values from buf and set own ghost values
------------------------------------------------------------------------- */
void PairAmoeba::unpack_forward_grid(int flag, void *vbuf, int nlist, int *list)
void PairAmoeba::unpack_forward_grid(int which, void *vbuf, int nlist, int *list)
{
FFT_SCALAR *buf = (FFT_SCALAR *) vbuf;
if (flag == MPOLE_GRID) {
if (which == MPOLE_GRID) {
FFT_SCALAR *dest = m_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] = buf[i];
} else if (flag == POLAR_GRID) {
} else if (which == POLAR_GRID) {
FFT_SCALAR *dest = p_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] = buf[i];
} else if (flag == POLAR_GRIDC) {
} else if (which == POLAR_GRIDC) {
FFT_SCALAR *dest = pc_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
dest[2*list[i]] = buf[n++];
dest[2*list[i]+1] = buf[n++];
}
} else if (flag == DISP_GRID) {
} else if (which == DISP_GRID) {
FFT_SCALAR *dest = d_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] = buf[i];
} else if (flag == INDUCE_GRID) {
} else if (which == INDUCE_GRID) {
FFT_SCALAR *dest = i_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] = buf[i];
} else if (flag == INDUCE_GRIDC) {
} else if (which == INDUCE_GRIDC) {
FFT_SCALAR *dest = ic_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
@ -1530,34 +1530,34 @@ void PairAmoeba::unpack_forward_grid(int flag, void *vbuf, int nlist, int *list)
pack ghost values into buf to send to another proc
------------------------------------------------------------------------- */
void PairAmoeba::pack_reverse_grid(int flag, void *vbuf, int nlist, int *list)
void PairAmoeba::pack_reverse_grid(int which, void *vbuf, int nlist, int *list)
{
FFT_SCALAR *buf = (FFT_SCALAR *) vbuf;
if (flag == MPOLE_GRID) {
if (which == MPOLE_GRID) {
FFT_SCALAR *src = m_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == POLAR_GRID) {
} else if (which == POLAR_GRID) {
FFT_SCALAR *src = p_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == POLAR_GRIDC) {
} else if (which == POLAR_GRIDC) {
FFT_SCALAR *src = pc_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
buf[n++] = src[2*list[i]];
buf[n++] = src[2*list[i]+1];
}
} else if (flag == DISP_GRID) {
} else if (which == DISP_GRID) {
FFT_SCALAR *src = d_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == INDUCE_GRID) {
} else if (which == INDUCE_GRID) {
FFT_SCALAR *src = i_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
buf[i] = src[list[i]];
} else if (flag == INDUCE_GRIDC) {
} else if (which == INDUCE_GRIDC) {
FFT_SCALAR *src = ic_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
@ -1571,34 +1571,34 @@ void PairAmoeba::pack_reverse_grid(int flag, void *vbuf, int nlist, int *list)
unpack another proc's ghost values from buf and add to own values
------------------------------------------------------------------------- */
void PairAmoeba::unpack_reverse_grid(int flag, void *vbuf, int nlist, int *list)
void PairAmoeba::unpack_reverse_grid(int which, void *vbuf, int nlist, int *list)
{
FFT_SCALAR *buf = (FFT_SCALAR *) vbuf;
if (flag == MPOLE_GRID) {
if (which == MPOLE_GRID) {
FFT_SCALAR *dest = m_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] += buf[i];
} else if (flag == POLAR_GRID) {
} else if (which == POLAR_GRID) {
FFT_SCALAR *dest = p_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] += buf[i];
} else if (flag == POLAR_GRIDC) {
} else if (which == POLAR_GRIDC) {
FFT_SCALAR *dest = pc_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {
dest[2*list[i]] += buf[n++];
dest[2*list[i]+1] += buf[n++];
}
} else if (flag == DISP_GRID) {
} else if (which == DISP_GRID) {
FFT_SCALAR *dest = d_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] += buf[i];
} else if (flag == INDUCE_GRID) {
} else if (which == INDUCE_GRID) {
FFT_SCALAR *dest = i_kspace->grid_brick_start;
for (int i = 0; i < nlist; i++)
dest[list[i]] += buf[i];
} else if (flag == INDUCE_GRIDC) {
} else if (which == INDUCE_GRIDC) {
FFT_SCALAR *dest = ic_kspace->grid_brick_start;
int n = 0;
for (int i = 0; i < nlist; i++) {

24
src/EXTRA-FIX/fix_ttm_grid.cpp
View File

@ -96,7 +96,7 @@ void FixTTMGrid::post_constructor()
if (infile) {
read_electron_temperatures(infile);
grid->forward_comm(Grid3d::FIX,this,1,sizeof(double),0,
grid->forward_comm(Grid3d::FIX,this,0,1,sizeof(double),
grid_buf1,grid_buf2,MPI_DOUBLE);
}
}
@ -204,7 +204,7 @@ void FixTTMGrid::end_of_step()
flangevin[i][2]*v[i][2]);
}
grid->reverse_comm(Grid3d::FIX,this,1,sizeof(double),0,
grid->reverse_comm(Grid3d::FIX,this,0,1,sizeof(double),
grid_buf1,grid_buf2,MPI_DOUBLE);
// clang-format off
@ -257,7 +257,7 @@ void FixTTMGrid::end_of_step()
// communicate new T_electron values to ghost grid points
grid->forward_comm(Grid3d::FIX,this,1,sizeof(double),0,
grid->forward_comm(Grid3d::FIX,this,0,1,sizeof(double),
grid_buf1,grid_buf2,MPI_DOUBLE);
}
}
@ -310,7 +310,7 @@ void FixTTMGrid::read_electron_temperatures(const std::string &filename)
called back to from Grid3d::read_file()
------------------------------------------------------------------------- */
int FixTTMGrid::unpack_read_grid(char *buffer)
int FixTTMGrid::unpack_read_grid(int /*nlines*/, char *buffer)
{
// loop over chunk of lines of grid point values
// skip comment lines
@ -524,7 +524,7 @@ void FixTTMGrid::reset_grid()
memory->create(remap_buf1, nremap_buf1, "ttm/grid:remap_buf1");
memory->create(remap_buf2, nremap_buf2, "ttm/grid:remap_buf2");
grid->remap(Grid3d::FIX,this,1,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
grid->remap(Grid3d::FIX,this,0,1,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
memory->destroy(remap_buf1);
memory->destroy(remap_buf2);
@ -538,7 +538,7 @@ void FixTTMGrid::reset_grid()
// communicate temperatures to ghost cells on new grid
grid->forward_comm(Grid3d::FIX,this,1,sizeof(double),0,
grid->forward_comm(Grid3d::FIX,this,0,1,sizeof(double),
grid_buf1,grid_buf2,MPI_DOUBLE);
// zero new net_energy_transfer
@ -553,7 +553,7 @@ void FixTTMGrid::reset_grid()
pack own values to buf to send to another proc
------------------------------------------------------------------------- */
void FixTTMGrid::pack_forward_grid(int /*flag*/, void *vbuf, int nlist, int *list)
void FixTTMGrid::pack_forward_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *src = &T_electron[nzlo_out][nylo_out][nxlo_out];
@ -565,7 +565,7 @@ void FixTTMGrid::pack_forward_grid(int /*flag*/, void *vbuf, int nlist, int *lis
unpack another proc's own values from buf and set own ghost values
------------------------------------------------------------------------- */
void FixTTMGrid::unpack_forward_grid(int /*flag*/, void *vbuf, int nlist, int *list)
void FixTTMGrid::unpack_forward_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *dest = &T_electron[nzlo_out][nylo_out][nxlo_out];
@ -577,7 +577,7 @@ void FixTTMGrid::unpack_forward_grid(int /*flag*/, void *vbuf, int nlist, int *l
pack ghost values into buf to send to another proc
------------------------------------------------------------------------- */
void FixTTMGrid::pack_reverse_grid(int /*flag*/, void *vbuf, int nlist, int *list)
void FixTTMGrid::pack_reverse_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *src = &net_energy_transfer[nzlo_out][nylo_out][nxlo_out];
@ -589,7 +589,7 @@ void FixTTMGrid::pack_reverse_grid(int /*flag*/, void *vbuf, int nlist, int *lis
unpack another proc's ghost values from buf and add to own values
------------------------------------------------------------------------- */
void FixTTMGrid::unpack_reverse_grid(int /*flag*/, void *vbuf, int nlist, int *list)
void FixTTMGrid::unpack_reverse_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *dest = &net_energy_transfer[nzlo_out][nylo_out][nxlo_out];
@ -601,7 +601,7 @@ void FixTTMGrid::unpack_reverse_grid(int /*flag*/, void *vbuf, int nlist, int *l
pack old grid values to buf to send to another proc
------------------------------------------------------------------------- */
void FixTTMGrid::pack_remap_grid(void *vbuf, int nlist, int *list)
void FixTTMGrid::pack_remap_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *src =
@ -614,7 +614,7 @@ void FixTTMGrid::pack_remap_grid(void *vbuf, int nlist, int *list)
unpack another proc's own values from buf and set own ghost values
------------------------------------------------------------------------- */
void FixTTMGrid::unpack_remap_grid(void *vbuf, int nlist, int *list)
void FixTTMGrid::unpack_remap_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
auto buf = (double *) vbuf;
double *dest = &T_electron[nzlo_out][nylo_out][nxlo_out];

6
src/EXTRA-FIX/fix_ttm_grid.h
View File

@ -46,9 +46,9 @@ class FixTTMGrid : public FixTTM {
void unpack_forward_grid(int, void *, int, int *) override;
void pack_reverse_grid(int, void *, int, int *) override;
void unpack_reverse_grid(int, void *, int, int *) override;
void pack_remap_grid(void *, int, int *) override;
void unpack_remap_grid(void *, int, int *) override;
int unpack_read_grid(char *) override;
void pack_remap_grid(int, void *, int, int *) override;
void unpack_remap_grid(int, void *, int, int *) override;
int unpack_read_grid(int, char *) override;
void pack_write_grid(int, void *) override;
void unpack_write_grid(int, void *, int *) override;

6
src/fix.h
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@ -217,9 +217,9 @@ class Fix : protected Pointers {
virtual void unpack_forward_grid(int, void *, int, int *){};
virtual void pack_reverse_grid(int, void *, int, int *){};
virtual void unpack_reverse_grid(int, void *, int, int *){};
virtual void pack_remap_grid(void *, int, int *){};
virtual void unpack_remap_grid(void *, int, int *){};
virtual int unpack_read_grid(char *) {return 0;};
virtual void pack_remap_grid(int, void *, int, int *){};
virtual void unpack_remap_grid(int, void *, int, int *){};
virtual int unpack_read_grid(int, char *) {return 0;};
virtual void pack_write_grid(int, void *){};
virtual void unpack_write_grid(int, void *, int *){};

8
src/fix_ave_grid.cpp
View File

@ -1865,7 +1865,7 @@ void FixAveGrid::unpack_reverse_grid(int /*flag*/, void *vbuf, int nlist, int *l
invoked for both GRID and ATOM mode
------------------------------------------------------------------------- */
void FixAveGrid::pack_remap_grid(void *vbuf, int nlist, int *list)
void FixAveGrid::pack_remap_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
int i,j,m,iwindow;
@ -1892,7 +1892,7 @@ void FixAveGrid::pack_remap_grid(void *vbuf, int nlist, int *list)
invoked for both GRID and ATOM mode
------------------------------------------------------------------------- */
void FixAveGrid::unpack_remap_grid(void *vbuf, int nlist, int *list)
void FixAveGrid::unpack_remap_grid(int /*which*/, void *vbuf, int nlist, int *list)
{
int i,j,m,iwindow;
@ -2086,9 +2086,9 @@ void FixAveGrid::reset_grid()
if (nremap_buf2) memory->create(remap_buf2, nper*nremap_buf2, "ave/grid:remap_buf2");
if (dimension == 2)
grid2d->remap(Grid2d::FIX,this,nper,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
grid2d->remap(Grid2d::FIX,this,0,nper,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
else
grid3d->remap(Grid3d::FIX,this,nper,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
grid3d->remap(Grid3d::FIX,this,0,nper,sizeof(double),remap_buf1,remap_buf2,MPI_DOUBLE);
memory->destroy(remap_buf1);
memory->destroy(remap_buf2);

4
src/fix_ave_grid.h
View File

@ -35,8 +35,8 @@ class FixAveGrid : public Fix {
void pack_reverse_grid(int, void *, int, int *) override;
void unpack_reverse_grid(int, void *, int, int *) override;
void pack_remap_grid(void *, int, int *) override;
void unpack_remap_grid(void *, int, int *) override;
void pack_remap_grid(int, void *, int, int *) override;
void unpack_remap_grid(int, void *, int, int *) override;
void reset_grid() override;

56
src/grid2d.cpp
View File

@ -1083,29 +1083,29 @@ int Grid2d::ghost_adjacent_tiled()
forward comm of my owned cells to other's ghost cells
------------------------------------------------------------------------- */
void Grid2d::forward_comm(int caller, void *ptr, int nper, int nbyte, int which,
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 (caller == KSPACE)
forward_comm_brick<KSpace>((KSpace *) ptr,nper,nbyte,which,
forward_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
forward_comm_brick<Pair>((Pair *) ptr,nper,nbyte,which,
forward_comm_brick<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
forward_comm_brick<Fix>((Fix *) ptr,nper,nbyte,which,
forward_comm_brick<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
} else {
if (caller == KSPACE)
forward_comm_tiled<KSpace>((KSpace *) ptr,nper,nbyte,which,
forward_comm_tiled<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
forward_comm_tiled<Pair>((Pair *) ptr,nper,nbyte,which,
buf1,buf2,datatype);
forward_comm_tiled<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
forward_comm_tiled<Fix>((Fix *) ptr,nper,nbyte,
which,buf1,buf2,datatype);
forward_comm_tiled<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
}
}
@ -1115,7 +1115,7 @@ void Grid2d::forward_comm(int caller, void *ptr, int nper, int nbyte, int which,
template < class T >
void Grid2d::
forward_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
forward_comm_brick(T *ptr, int which, int nper, int /*nbyte*/,
void *buf1, void *buf2, MPI_Datatype datatype)
{
int m;
@ -1145,7 +1145,7 @@ forward_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
template < class T >
void Grid2d::
forward_comm_tiled(T *ptr, int nper, int nbyte, int which,
forward_comm_tiled(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1188,28 +1188,28 @@ forward_comm_tiled(T *ptr, int nper, int nbyte, int which,
reverse comm of my ghost cells to sum to owner cells
------------------------------------------------------------------------- */
void Grid2d::reverse_comm(int caller, void *ptr, int nper, int nbyte, int which,
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 (caller == KSPACE)
reverse_comm_brick<KSpace>((KSpace *) ptr,nper,nbyte,which,
reverse_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
reverse_comm_brick<Pair>((Pair *) ptr,nper,nbyte,which,
reverse_comm_brick<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
reverse_comm_brick<Fix>((Fix *) ptr,nper,nbyte,which,
reverse_comm_brick<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
} else {
if (caller == KSPACE)
reverse_comm_tiled<KSpace>((KSpace *) ptr,nper,nbyte,which,
reverse_comm_tiled<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
reverse_comm_tiled<Pair>((Pair *) ptr,nper,nbyte,which,
reverse_comm_tiled<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
reverse_comm_tiled<Fix>((Fix *) ptr,nper,nbyte,which,
reverse_comm_tiled<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
}
}
@ -1220,7 +1220,7 @@ void Grid2d::reverse_comm(int caller, void *ptr, int nper, int nbyte, int which,
template < class T >
void Grid2d::
reverse_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
reverse_comm_brick(T *ptr, int which, int nper, int /*nbyte*/,
void *buf1, void *buf2, MPI_Datatype datatype)
{
int m;
@ -1250,7 +1250,7 @@ reverse_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
template < class T >
void Grid2d::
reverse_comm_tiled(T *ptr, int nper, int nbyte, int which,
reverse_comm_tiled(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1444,16 +1444,16 @@ void Grid2d::setup_remap(Grid2d *old, int &nremap_buf1, int &nremap_buf2)
pack/unpack operations are performed by caller via callbacks
------------------------------------------------------------------------- */
void Grid2d::remap(int caller, void *ptr, int nper, int nbyte,
void Grid2d::remap(int caller, void *ptr, int which, int nper, int nbyte,
void *buf1, void *buf2, MPI_Datatype datatype)
{
if (caller == FIX) remap_style<Fix>((Fix *) ptr,nper,nbyte,buf1,buf2,datatype);
if (caller == FIX) remap_style<Fix>((Fix *) ptr,which,nper,nbyte,buf1,buf2,datatype);
}
/* ------------------------------------------------------------------------- */
template < class T >
void Grid2d::remap_style(T *ptr, int nper, int nbyte,
void Grid2d::remap_style(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1471,15 +1471,15 @@ void Grid2d::remap_style(T *ptr, int nper, int nbyte,
// perform all sends to other procs
for (m = 0; m < nsend_remap; m++) {
ptr->pack_remap_grid(buf1,send_remap[m].npack,send_remap[m].packlist);
ptr->pack_remap_grid(which,buf1,send_remap[m].npack,send_remap[m].packlist);
MPI_Send(buf1,nper*send_remap[m].npack,datatype,send_remap[m].proc,0,gridcomm);
}
// perform remap to self if defined
if (self_remap) {
ptr->pack_remap_grid(buf1,copy_remap.npack,copy_remap.packlist);
ptr->unpack_remap_grid(buf1,copy_remap.nunpack,copy_remap.unpacklist);
ptr->pack_remap_grid(which,buf1,copy_remap.npack,copy_remap.packlist);
ptr->unpack_remap_grid(which,buf1,copy_remap.nunpack,copy_remap.unpacklist);
}
// unpack all received data
@ -1487,7 +1487,7 @@ void Grid2d::remap_style(T *ptr, int nper, int nbyte,
for (i = 0; i < nrecv_remap; i++) {
MPI_Waitany(nrecv_remap,requests_remap,&m,MPI_STATUS_IGNORE);
offset = nper * recv_remap[m].offset * nbyte;
ptr->unpack_remap_grid((void *) &buf2[offset],
ptr->unpack_remap_grid(which,(void *) &buf2[offset],
recv_remap[m].nunpack,recv_remap[m].unpacklist);
}
}
@ -1525,7 +1525,7 @@ void Grid2d::read_file_style(T *ptr, FILE *fp, int nchunk, int maxline)
int eof = utils::read_lines_from_file(fp, nchunk, maxline, buffer, me, world);
if (eof) error->all(FLERR, "Unexpected end of grid data file");
nread += ptr->unpack_read_grid(buffer);
nread += ptr->unpack_read_grid(nchunk,buffer);
}
delete [] buffer;

4
src/grid2d.h
View File

@ -48,7 +48,7 @@ class Grid2d : protected Pointers {
void reverse_comm(int, void *, int, int, int, void *, void *, MPI_Datatype);
void setup_remap(Grid2d *, int &, int &);
void remap(int, void *, int, int, void *, void *, MPI_Datatype);
void remap(int, void *, int, int, int, void *, void *, MPI_Datatype);
void read_file(int, void *, FILE *, int, int);
void write_file(int, void *, int, int, int, MPI_Datatype);
@ -242,7 +242,7 @@ protected:
template <class T> void reverse_comm_brick(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void reverse_comm_tiled(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void remap_style(T *, int, int, void *, void *, MPI_Datatype);
template <class T> void remap_style(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void read_file_style(T *, FILE *, int, int);
template <class T> void write_file_style(T *, int, int, int, MPI_Datatype);

58
src/grid3d.cpp
View File

@ -1251,29 +1251,29 @@ int Grid3d::ghost_adjacent_tiled()
forward comm of my owned cells to other's ghost cells
------------------------------------------------------------------------- */
void Grid3d::forward_comm(int caller, void *ptr, int nper, int nbyte, int which,
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 (caller == KSPACE)
forward_comm_brick<KSpace>((KSpace *) ptr,nper,nbyte,which,
forward_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
forward_comm_brick<Pair>((Pair *) ptr,nper,nbyte,which,
forward_comm_brick<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
forward_comm_brick<Fix>((Fix *) ptr,nper,nbyte,which,
forward_comm_brick<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
} else {
if (caller == KSPACE)
forward_comm_tiled<KSpace>((KSpace *) ptr,nper,nbyte,which,
forward_comm_tiled<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
forward_comm_tiled<Pair>((Pair *) ptr,nper,nbyte,which,
buf1,buf2,datatype);
forward_comm_tiled<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
forward_comm_tiled<Fix>((Fix *) ptr,nper,nbyte,
which,buf1,buf2,datatype);
forward_comm_tiled<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
}
}
@ -1283,7 +1283,7 @@ void Grid3d::forward_comm(int caller, void *ptr, int nper, int nbyte, int which,
template < class T >
void Grid3d::
forward_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
forward_comm_brick(T *ptr, int which, int nper, int /*nbyte*/,
void *buf1, void *buf2, MPI_Datatype datatype)
{
int m;
@ -1313,7 +1313,7 @@ forward_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
template < class T >
void Grid3d::
forward_comm_tiled(T *ptr, int nper, int nbyte, int which,
forward_comm_tiled(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1356,28 +1356,28 @@ forward_comm_tiled(T *ptr, int nper, int nbyte, int which,
reverse comm of my ghost cells to sum to owner cells
------------------------------------------------------------------------- */
void Grid3d::reverse_comm(int caller, void *ptr, int nper, int nbyte, int which,
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 (caller == KSPACE)
reverse_comm_brick<KSpace>((KSpace *) ptr,nper,nbyte,which,
reverse_comm_brick<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
reverse_comm_brick<Pair>((Pair *) ptr,nper,nbyte,which,
reverse_comm_brick<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
reverse_comm_brick<Fix>((Fix *) ptr,nper,nbyte,which,
reverse_comm_brick<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
} else {
if (caller == KSPACE)
reverse_comm_tiled<KSpace>((KSpace *) ptr,nper,nbyte,which,
reverse_comm_tiled<KSpace>((KSpace *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == PAIR)
reverse_comm_tiled<Pair>((Pair *) ptr,nper,nbyte,which,
buf1,buf2,datatype);
reverse_comm_tiled<Pair>((Pair *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
else if (caller == FIX)
reverse_comm_tiled<Fix>((Fix *) ptr,nper,nbyte,which,
reverse_comm_tiled<Fix>((Fix *) ptr,which,nper,nbyte,
buf1,buf2,datatype);
}
}
@ -1388,7 +1388,7 @@ void Grid3d::reverse_comm(int caller, void *ptr, int nper, int nbyte, int which,
template < class T >
void Grid3d::
reverse_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
reverse_comm_brick(T *ptr, int which, int nper, int /*nbyte*/,
void *buf1, void *buf2, MPI_Datatype datatype)
{
int m;
@ -1418,7 +1418,7 @@ reverse_comm_brick(T *ptr, int nper, int /*nbyte*/, int which,
template < class T >
void Grid3d::
reverse_comm_tiled(T *ptr, int nper, int nbyte, int which,
reverse_comm_tiled(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1615,16 +1615,16 @@ void Grid3d::setup_remap(Grid3d *old, int &nremap_buf1, int &nremap_buf2)
pack/unpack operations are performed by caller via callbacks
------------------------------------------------------------------------- */
void Grid3d::remap(int caller, void *ptr, int nper, int nbyte,
void Grid3d::remap(int caller, void *ptr, int which, int nper, int nbyte,
void *buf1, void *buf2, MPI_Datatype datatype)
{
if (caller == FIX) remap_style<Fix>((Fix *) ptr,nper,nbyte,buf1,buf2,datatype);
if (caller == FIX) remap_style<Fix>((Fix *) ptr,which,nper,nbyte,buf1,buf2,datatype);
}
/* ------------------------------------------------------------------------- */
template < class T >
void Grid3d::remap_style(T *ptr, int nper, int nbyte,
void Grid3d::remap_style(T *ptr, int which, int nper, int nbyte,
void *buf1, void *vbuf2, MPI_Datatype datatype)
{
int i,m,offset;
@ -1642,15 +1642,15 @@ void Grid3d::remap_style(T *ptr, int nper, int nbyte,
// perform all sends to other procs
for (m = 0; m < nsend_remap; m++) {
ptr->pack_remap_grid(buf1,send_remap[m].npack,send_remap[m].packlist);
ptr->pack_remap_grid(which,buf1,send_remap[m].npack,send_remap[m].packlist);
MPI_Send(buf1,nper*send_remap[m].npack,datatype,send_remap[m].proc,0,gridcomm);
}
// perform remap to self if defined
if (self_remap) {
ptr->pack_remap_grid(buf1,copy_remap.npack,copy_remap.packlist);
ptr->unpack_remap_grid(buf1,copy_remap.nunpack,copy_remap.unpacklist);
ptr->pack_remap_grid(which,buf1,copy_remap.npack,copy_remap.packlist);
ptr->unpack_remap_grid(which,buf1,copy_remap.nunpack,copy_remap.unpacklist);
}
// unpack all received data
@ -1658,7 +1658,7 @@ void Grid3d::remap_style(T *ptr, int nper, int nbyte,
for (i = 0; i < nrecv_remap; i++) {
MPI_Waitany(nrecv_remap,requests_remap,&m,MPI_STATUS_IGNORE);
offset = nper * recv_remap[m].offset * nbyte;
ptr->unpack_remap_grid((void *) &buf2[offset],
ptr->unpack_remap_grid(which,(void *) &buf2[offset],
recv_remap[m].nunpack,recv_remap[m].unpacklist);
}
}
@ -1696,7 +1696,7 @@ void Grid3d::read_file_style(T *ptr, FILE *fp, int nchunk, int maxline)
int eof = utils::read_lines_from_file(fp, nchunk, maxline, buffer, me, world);
if (eof) error->all(FLERR, "Unexpected end of grid data file");
nread += ptr->unpack_read_grid(buffer);
nread += ptr->unpack_read_grid(nchunk,buffer);
}
delete [] buffer;

4
src/grid3d.h
View File

@ -50,7 +50,7 @@ class Grid3d : protected Pointers {
void reverse_comm(int, void *, int, int, int, void *, void *, MPI_Datatype);
void setup_remap(Grid3d *, int &, int &);
void remap(int, void *, int, int, void *, void *, MPI_Datatype);
void remap(int, void *, int, int, int, void *, void *, MPI_Datatype);
void read_file(int, void *, FILE *, int, int);
void write_file(int, void *, int, int, int, MPI_Datatype);
@ -247,7 +247,7 @@ class Grid3d : protected Pointers {
template <class T> void reverse_comm_brick(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void reverse_comm_tiled(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void remap_style(T *, int, int, void *, void *, MPI_Datatype);
template <class T> void remap_style(T *, int, int, int, void *, void *, MPI_Datatype);
template <class T> void read_file_style(T *, FILE *, int, int);
template <class T> void write_file_style(T *, int, int, int, MPI_Datatype);