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47 changes: 30 additions & 17 deletions source/source_base/parallel_grid.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -17,17 +17,17 @@ Parallel_Grid::~Parallel_Grid()
{
}

void Parallel_Grid::init(const int& ncx_in,
const int& ncy_in,
const int& ncz_in,
const int& nczp_in,
const int& nrxx_in,
const int& nbz_in,
const int& bz_in,
const int nprocgroup)
{

ModuleBase::TITLE("Parallel_Grid", "init");

void Parallel_Grid::init_serial(const int& ncx_in,
const int& ncy_in,
const int& ncz_in,
const int& nczp_in,
const int& nrxx_in,
const int& nbz_in,
const int& bz_in)
{
ModuleBase::TITLE("Parallel_Grid", "init_serial");

this->ncx = ncx_in;
this->ncy = ncy_in;
Expand All @@ -49,10 +49,11 @@ void Parallel_Grid::init(const int& ncx_in,

this->ncxy = ncx * ncy;
this->ncxyz = ncxy * ncz;

#ifndef __MPI
return;
#endif
}
#ifdef __MPI
void Parallel_Grid::init_parallel(const int nprocgroup)
{
ModuleBase::TITLE("Parallel_Grid", "init_parallel");

// enable to call this function again liuyu 2023-03-10
if (!this->numz.empty())
Expand All @@ -64,7 +65,6 @@ void Parallel_Grid::init(const int& ncx_in,
this->whichpro_loc.clear();
}

// (2)
assert(this->numz.empty());
assert(GlobalV::KPAR > 0);

Expand Down Expand Up @@ -95,10 +95,23 @@ void Parallel_Grid::init(const int& ncx_in,
}

this->z_distribution();

return;
}
#endif
void Parallel_Grid::init(const int& ncx_in,
const int& ncy_in,
const int& ncz_in,
const int& nczp_in,
const int& nrxx_in,
const int& nbz_in,
const int& bz_in,
const int nprocgroup)
{
this->init_serial(ncx_in, ncy_in, ncz_in, nczp_in, nrxx_in, nbz_in, bz_in);

#ifdef __MPI
this->init_parallel(nprocgroup);
#endif
}
void Parallel_Grid::z_distribution()
{
assert(!this->numz.empty());
Expand Down
12 changes: 12 additions & 0 deletions source/source_base/parallel_grid.h
Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,18 @@ class Parallel_Grid
private:

void z_distribution(void);

void init_serial(const int& ncx_in,
const int& ncy_in,
const int& ncz_in,
const int& nczp_in,
const int& nrxx_in,
const int& nbz_in,
const int& bz_in);

#ifdef __MPI
void init_parallel(const int nprocgroup);
#endif

#ifdef __MPI
void zpiece_distribute(double* zpiece, const int& iz, double* rho, const bool is_sdft) const;
Expand Down
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