abacus-develop/source/source_base/parallel_2d.cpp at develop · pplab/abacus-develop · GitHub

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#include "parallel_2d.h"

#include "source_base/module_external/scalapack_connector.h"

#include <cassert>

#include <numeric>

bool Parallel_2D::in_this_processor(const int iw1_all, const int iw2_all) const

{

return global2local_row(iw1_all) != -1 && global2local_col(iw2_all) != -1;

}

int Parallel_2D::get_global_row_size() const

{

if (!is_serial)

{

#ifdef __MPI

return desc[2];

#endif

}

return nrow;

}

int Parallel_2D::get_global_col_size() const

{

if (!is_serial)

{

#ifdef __MPI

return desc[3];

#endif

}

return ncol;

}

#ifdef __MPI

MPI_Comm Parallel_2D::comm() const

{

// it is an error to call blacs_get with an invalid BLACS context

if (blacs_ctxt < 0)

{

return MPI_COMM_NULL;

}

int sys_ctxt = 0;

Cblacs_get(blacs_ctxt, 10, &sys_ctxt);

// blacs_get with "what" = 10 takes a BLACS context and returns the index

// of the associated system context (MPI communicator) that can be used by

// blacs2sys_handle to get the MPI communicator.

return Cblacs2sys_handle(sys_ctxt);

}

void Parallel_2D::_init_proc_grid(const MPI_Comm comm, const bool mode)

{

// determine the number of rows and columns of the process grid

// by factorizing n = p * q such that p, q are closest and p <= q

int num_proc = 0;

MPI_Comm_size(comm, &num_proc);

dim0 = static_cast<int>(std::sqrt(num_proc + 0.5));

while (dim1 = num_proc / dim0, dim0 * dim1 != num_proc)

{

--dim0;

}

if (mode)

{

std::swap(dim0, dim1);

}

// initialize the BLACS grid accordingly

blacs_ctxt = Csys2blacs_handle(comm);

char order = 'R'; // row-major

Cblacs_gridinit(&blacs_ctxt, &order, dim0, dim1);

Cblacs_gridinfo(blacs_ctxt, &dim0, &dim1, &coord[0], &coord[1]);

}

void Parallel_2D::_set_dist_info(const int mg, const int ng, const int nb)

{

this->nb = nb;

// number of local rows and columns

const int zero = 0;

nrow = numroc_(&mg, &nb, &coord[0], &zero, &dim0);

ncol = numroc_(&ng, &nb, &coord[1], &zero, &dim1);

nloc = static_cast<int64_t>(nrow) * ncol;

// initialize the ScaLAPACK descriptor

int info = 0, lld = std::max(nrow, 1);

descinit_(desc, &mg, &ng, &nb, &nb, &zero, &zero, &blacs_ctxt, &lld, &info);

// generate the global-to-local and local-to-global index maps

local2global_row_.resize(nrow);

global2local_row_ = std::vector<int>(mg, -1);

for (int i = 0; i < nrow; ++i)

{

local2global_row_[i] = (i / nb * dim0 + coord[0]) * nb + i % nb;

global2local_row_[local2global_row_[i]] = i;

}

local2global_col_.resize(ncol);

global2local_col_ = std::vector<int>(ng, -1);

for (int j = 0; j < ncol; ++j)

{

local2global_col_[j] = (j / nb * dim1 + coord[1]) * nb + j % nb;

global2local_col_[local2global_col_[j]] = j;

}

int Parallel_2D::init(const int mg, const int ng, const int nb, const MPI_Comm comm, const bool mode)

{

_init_proc_grid(comm, mode);

_set_dist_info(mg, ng, nb);

return nrow == 0 || ncol == 0;

}

int Parallel_2D::set(const int mg, const int ng, const int nb, const int blacs_ctxt)

{

this->blacs_ctxt = blacs_ctxt;

Cblacs_gridinfo(blacs_ctxt, &dim0, &dim1, &coord[0], &coord[1]);

_set_dist_info(mg, ng, nb);

return nrow == 0 || ncol == 0;

}

#endif

void Parallel_2D::set_serial(const int mg, const int ng)

{

assert(mg > 0 && ng > 0);

nb = 1;

dim0 = dim1 = 1;

coord[0] = coord[1] = 0;

nrow = mg;

ncol = ng;

nloc = static_cast<int64_t>(nrow) * ncol;

local2global_row_.resize(nrow);

local2global_col_.resize(ncol);

std::iota(local2global_row_.begin(), local2global_row_.end(), 0);

std::iota(local2global_col_.begin(), local2global_col_.end(), 0);

global2local_row_ = local2global_row_;

global2local_col_ = local2global_col_;

is_serial = true;

#ifdef __MPI

blacs_ctxt = -1;

#endif

}

abacus-develop/source/source_base/parallel_2d.cpp at develop · pplab/abacus-develop · GitHub

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