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[Refactor] Remove unnecessary manual MPI_Reduce in hsolver dav code #7314

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Merged
mohanchen merged 1 commit into from
May 7, 2026
+13 −78
Merged

[Refactor] Remove unnecessary manual MPI_Reduce in hsolver dav code #7314

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60 changes: 4 additions & 56 deletions source/source_hsolver/diago_dav_subspace.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,7 @@

#ifdef __MPI
#include <mpi.h>
#include "source_base/parallel_comm.h"
#endif

using namespace hsolver;
Expand Down Expand Up @@ -583,62 +584,9 @@ void Diago_DavSubspace<T, Device>::cal_elem(const int& dim,
// Only on dsp hardware need an extra space to reduce data
mtfunc::dsp_dav_subspace_reduce(hcc, scc, nbase, this->nbase_x, this->notconv, this->diag_comm.comm);
#else
auto* swap = new T[notconv * this->nbase_x];

syncmem_complex_op()(swap, hcc + nbase * this->nbase_x, notconv * this->nbase_x);

if (std::is_same<T, double>::value)
{
Parallel_Reduce::reduce_pool(hcc + nbase * this->nbase_x, notconv * this->nbase_x);
Parallel_Reduce::reduce_pool(scc + nbase * this->nbase_x, notconv * this->nbase_x);
}
else
{
if (base_device::get_current_precision(swap) == "single")
{
MPI_Reduce(swap,
hcc + nbase * this->nbase_x,
notconv * this->nbase_x,
MPI_COMPLEX,
MPI_SUM,
0,
this->diag_comm.comm);
}
else
{
MPI_Reduce(swap,
hcc + nbase * this->nbase_x,
notconv * this->nbase_x,
MPI_DOUBLE_COMPLEX,
MPI_SUM,
0,
this->diag_comm.comm);
}

syncmem_complex_op()(swap, scc + nbase * this->nbase_x, notconv * this->nbase_x);

if (base_device::get_current_precision(swap) == "single")
{
MPI_Reduce(swap,
scc + nbase * this->nbase_x,
notconv * this->nbase_x,
MPI_COMPLEX,
MPI_SUM,
0,
this->diag_comm.comm);
}
else
{
MPI_Reduce(swap,
scc + nbase * this->nbase_x,
notconv * this->nbase_x,
MPI_DOUBLE_COMPLEX,
MPI_SUM,
0,
this->diag_comm.comm);
}
}
delete[] swap;
assert(this->diag_comm.comm == POOL_WORLD);
Parallel_Reduce::reduce_pool(hcc + nbase * this->nbase_x, notconv * this->nbase_x);
Parallel_Reduce::reduce_pool(scc + nbase * this->nbase_x, notconv * this->nbase_x);
#endif
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}
#endif
Expand Down
22 changes: 3 additions & 19 deletions source/source_hsolver/diago_david.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@

#include "source_hsolver/kernels/hegvd_op.h"
#include "source_base/kernels/math_kernel_op.h"
#include "source_base/parallel_comm.h"


using namespace hsolver;
Expand Down Expand Up @@ -613,25 +614,8 @@ void DiagoDavid<T, Device>::cal_elem(const int& dim,
{
ModuleBase::matrixTranspose_op<T, Device>()(nbase_x, nbase_x, hcc, hcc);

auto* swap = new T[notconv * nbase_x];
syncmem_complex_op()(swap, hcc + nbase * nbase_x, notconv * nbase_x);
if (std::is_same<T, double>::value)
{
Parallel_Reduce::reduce_pool(hcc + nbase * nbase_x, notconv * nbase_x);
}
else
{
if (base_device::get_current_precision(swap) == "single") {
MPI_Reduce(swap, hcc + nbase * nbase_x, notconv * nbase_x, MPI_COMPLEX, MPI_SUM, 0, diag_comm.comm);
}
else {
MPI_Reduce(swap, hcc + nbase * nbase_x, notconv * nbase_x, MPI_DOUBLE_COMPLEX, MPI_SUM, 0, diag_comm.comm);
}

}
delete[] swap;

// Parallel_Reduce::reduce_complex_double_pool( hcc + nbase * nbase_x, notconv * nbase_x );
assert(diag_comm.comm == POOL_WORLD);
Parallel_Reduce::reduce_pool(hcc + nbase * nbase_x, notconv * nbase_x);

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ModuleBase::matrixTranspose_op<T, Device>()(nbase_x, nbase_x, hcc, hcc);
}
Expand Down
3 changes: 2 additions & 1 deletion source/source_hsolver/test/diago_david_float_test.cpp
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
#include"source_hsolver/diago_david.h"
#include"source_hsolver/diago_iter_assist.h"
#include "source_base/parallel_comm.h"
#include"source_pw/module_pwdft/hamilt_pw.h"
#include"diago_mock.h"
#include "source_psi/psi.h"
Expand Down Expand Up @@ -85,7 +86,7 @@ class DiagoDavPrepare
phm = new hamilt::HamiltPW<std::complex<float>>(nullptr, nullptr, nullptr, nullptr, nullptr, nullptr);

#ifdef __MPI
const hsolver::diag_comm_info comm_info = {MPI_COMM_WORLD, mypnum, nprocs};
const hsolver::diag_comm_info comm_info = {POOL_WORLD, mypnum, nprocs};
#else
const hsolver::diag_comm_info comm_info = {mypnum, nprocs};
#endif
Expand Down
3 changes: 2 additions & 1 deletion source/source_hsolver/test/diago_david_real_test.cpp
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
#include"source_hsolver/diago_david.h"
#include"source_hsolver/diago_iter_assist.h"
#include "source_base/parallel_comm.h"
#include"source_pw/module_pwdft/hamilt_pw.h"
#include"diago_mock.h"
#include "source_psi/psi.h"
Expand Down Expand Up @@ -84,7 +85,7 @@ class DiagoDavPrepare
phm = new hamilt::HamiltPW<double>(nullptr, nullptr, nullptr, nullptr, nullptr, nullptr);

#ifdef __MPI
const hsolver::diag_comm_info comm_info = {MPI_COMM_WORLD, mypnum, nprocs};
const hsolver::diag_comm_info comm_info = {POOL_WORLD, mypnum, nprocs};
#else
const hsolver::diag_comm_info comm_info = {mypnum, nprocs};
#endif
Expand Down
3 changes: 2 additions & 1 deletion source/source_hsolver/test/diago_david_test.cpp
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
#include"source_hsolver/diago_david.h"
#include"source_hsolver/diago_iter_assist.h"
#include "source_base/parallel_comm.h"
#include"source_pw/module_pwdft/hamilt_pw.h"
#include"diago_mock.h"
#include "source_psi/psi.h"
Expand Down Expand Up @@ -89,7 +90,7 @@ class DiagoDavPrepare
phm = new hamilt::HamiltPW<std::complex<double>>(nullptr, nullptr, nullptr, nullptr, nullptr, nullptr);

#ifdef __MPI
const hsolver::diag_comm_info comm_info = {MPI_COMM_WORLD, mypnum, nprocs};
const hsolver::diag_comm_info comm_info = {POOL_WORLD, mypnum, nprocs};
#else
const hsolver::diag_comm_info comm_info = {mypnum, nprocs};
#endif
Expand Down
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