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replaced manual memory in fft.cpp
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@reinaual
reinaual committed Oct 25, 2019
1 parent e16b6bf commit b867d6a
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Showing 2 changed files with 28 additions and 40 deletions.
56 changes: 22 additions & 34 deletions src/core/electrostatics_magnetostatics/fft.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -371,18 +371,18 @@ void forw_grid_comm(fft_forw_plan plan, const double *in, double *out,
fft_data_struct &fft,
const boost::mpi::communicator &comm) {
for (int i = 0; i < plan.group.size(); i++) {
plan.pack_function(in, fft.send_buf, &(plan.send_block[6 * i]),
plan.pack_function(in, fft.send_buf.data(), &(plan.send_block[6 * i]),
&(plan.send_block[6 * i + 3]), plan.old_mesh,
plan.element);

if (plan.group[i] != comm.rank()) {
MPI_Sendrecv(fft.send_buf, plan.send_size[i], MPI_DOUBLE, plan.group[i],
REQ_FFT_FORW, fft.recv_buf, plan.recv_size[i], MPI_DOUBLE,
MPI_Sendrecv(fft.send_buf.data(), plan.send_size[i], MPI_DOUBLE, plan.group[i],
REQ_FFT_FORW, fft.recv_buf.data(), plan.recv_size[i], MPI_DOUBLE,
plan.group[i], REQ_FFT_FORW, comm, MPI_STATUS_IGNORE);
} else { /* Self communication... */
std::swap(fft.send_buf, fft.recv_buf);
}
fft_unpack_block(fft.recv_buf, out, &(plan.recv_block[6 * i]),
fft_unpack_block(fft.recv_buf.data(), out, &(plan.recv_block[6 * i]),
&(plan.recv_block[6 * i + 3]), plan.new_mesh,
plan.element);
}
Expand All @@ -404,19 +404,19 @@ void back_grid_comm(fft_forw_plan plan_f, fft_back_plan plan_b,
versa. Attention then also new_mesh and old_mesh are exchanged */

for (int i = 0; i < plan_f.group.size(); i++) {
plan_b.pack_function(in, fft.send_buf, &(plan_f.recv_block[6 * i]),
plan_b.pack_function(in, fft.send_buf.data(), &(plan_f.recv_block[6 * i]),
&(plan_f.recv_block[6 * i + 3]), plan_f.new_mesh,
plan_f.element);

if (plan_f.group[i] != comm.rank()) { /* send first, receive second */
MPI_Sendrecv(fft.send_buf, plan_f.recv_size[i], MPI_DOUBLE,
plan_f.group[i], REQ_FFT_BACK, fft.recv_buf,
MPI_Sendrecv(fft.send_buf.data(), plan_f.recv_size[i], MPI_DOUBLE,
plan_f.group[i], REQ_FFT_BACK, fft.recv_buf.data(),
plan_f.send_size[i], MPI_DOUBLE, plan_f.group[i],
REQ_FFT_BACK, comm, MPI_STATUS_IGNORE);
} else { /* Self communication... */
std::swap(fft.send_buf, fft.recv_buf);
}
fft_unpack_block(fft.recv_buf, out, &(plan_f.send_block[6 * i]),
fft_unpack_block(fft.recv_buf.data(), out, &(plan_f.send_block[6 * i]),
&(plan_f.send_block[6 * i + 3]), plan_f.old_mesh,
plan_f.element);
}
Expand Down Expand Up @@ -500,18 +500,17 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,

int n_grid[4][3]; /* The four node grids. */
int my_pos[4][3]; /* The position of comm.rank() in the node grids. */
int *n_id[4]; /* linear node identity lists for the node grids. */
int *n_pos[4]; /* positions of nodes in the node grids. */

int node_pos[3];
MPI_Cart_coords(comm, comm.rank(), 3, node_pos);

fft.max_comm_size = 0;
fft.max_mesh_size = 0;
for (i = 0; i < 4; i++) {
n_id[i] = (int *)Utils::malloc(1 * comm.size() * sizeof(int));
n_pos[i] = (int *)Utils::malloc(3 * comm.size() * sizeof(int));
}

/* linear node identity lists for the node grids. */
std::vector<std::vector<int>> n_id(4, std::vector<int>(comm.size()));
/* positions of nodes in the node grids. */
std::vector<std::vector<int>> n_pos(4, std::vector<int>(3 * comm.size()));

/* === node grids === */
/* real space node grid (n_grid[0]) */
Expand Down Expand Up @@ -550,7 +549,7 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,
auto group =
find_comm_groups({n_grid[i - 1][0], n_grid[i - 1][1], n_grid[i - 1][2]},
{n_grid[i][0], n_grid[i][1], n_grid[i][2]},
n_id[i - 1], n_id[i], n_pos[i], my_pos[i], comm);
n_id[i - 1].data(), n_id[i].data(), n_pos[i].data(), my_pos[i], comm);
if (not group) {
/* try permutation */
j = n_grid[i][(fft.plan[i].row_dir + 1) % 3];
Expand All @@ -560,8 +559,8 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,

group = find_comm_groups(
{n_grid[i - 1][0], n_grid[i - 1][1], n_grid[i - 1][2]},
{n_grid[i][0], n_grid[i][1], n_grid[i][2]}, n_id[i - 1], n_id[i],
n_pos[i], my_pos[i], comm);
{n_grid[i][0], n_grid[i][1], n_grid[i][2]}, n_id[i - 1].data(), n_id[i].data(),
n_pos[i].data(), my_pos[i], comm);

if (not group) {
throw std::runtime_error("INTERNAL ERROR: fft_find_comm_groups error");
Expand All @@ -570,14 +569,10 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,

fft.plan[i].group = *group;

fft.plan[i].send_block = Utils::realloc(
fft.plan[i].send_block, 6 * fft.plan[i].group.size() * sizeof(int));
fft.plan[i].send_size = Utils::realloc(
fft.plan[i].send_size, 1 * fft.plan[i].group.size() * sizeof(int));
fft.plan[i].recv_block = Utils::realloc(
fft.plan[i].recv_block, 6 * fft.plan[i].group.size() * sizeof(int));
fft.plan[i].recv_size = Utils::realloc(
fft.plan[i].recv_size, 1 * fft.plan[i].group.size() * sizeof(int));
fft.plan[i].send_block.resize(6 * fft.plan[i].group.size());
fft.plan[i].send_size.resize(fft.plan[i].group.size());
fft.plan[i].recv_block.resize(6 * fft.plan[i].group.size());
fft.plan[i].recv_size.resize(fft.plan[i].group.size());

fft.plan[i].new_size =
calc_local_mesh(my_pos[i], n_grid[i], global_mesh_dim, global_mesh_off,
Expand Down Expand Up @@ -652,10 +647,8 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,
}

/* Factor 2 for complex numbers */
fft.send_buf =
Utils::realloc(fft.send_buf, fft.max_comm_size * sizeof(double));
fft.recv_buf =
Utils::realloc(fft.recv_buf, fft.max_comm_size * sizeof(double));
fft.send_buf.resize(fft.max_comm_size);
fft.recv_buf.resize(fft.max_comm_size);
if (*data)
fftw_free(*data);
(*data) = (double *)fftw_malloc(fft.max_mesh_size * sizeof(double));
Expand Down Expand Up @@ -704,11 +697,6 @@ int fft_init(double **data, int const *ca_mesh_dim, int const *ca_mesh_margin,
}

fft.init_tag = true;
/* free(data); */
for (i = 0; i < 4; i++) {
free(n_id[i]);
free(n_pos[i]);
}
return fft.max_mesh_size;
}

Expand Down
12 changes: 6 additions & 6 deletions src/core/electrostatics_magnetostatics/fft.hpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -87,13 +87,13 @@ struct fft_forw_plan {
void (*pack_function)(double const *const, double *const, int const *,
int const *, int const *, int);
/** Send block specification. 6 integers for each node: start[3], size[3]. */
int *send_block = nullptr;
std::vector<int> send_block;
/** Send block communication sizes. */
int *send_size = nullptr;
std::vector<int> send_size;
/** Recv block specification. 6 integers for each node: start[3], size[3]. */
int *recv_block = nullptr;
std::vector<int> recv_block;
/** Recv block communication sizes. */
int *recv_size = nullptr;
std::vector<int> recv_size;
/** size of send block elements. */
int element;
};
Expand Down Expand Up @@ -133,9 +133,9 @@ struct fft_data_struct {
int max_mesh_size = 0;

/** send buffer. */
double *send_buf = nullptr;
std::vector<double> send_buf;
/** receive buffer. */
double *recv_buf = nullptr;
std::vector<double> recv_buf;
/** Buffer for receive data. */
double *data_buf = nullptr;
};
Expand Down

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