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Fix: dsp memory op #7056

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Fix: dsp memory op #7056

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87deb1d
Fix dsp setmem op
Cstandardlib Mar 14, 2026
3117be9
Clean up the code
Cstandardlib Mar 19, 2026
fc40d56
Merge branch 'develop' into fix/dsp-op
Cstandardlib Mar 19, 2026
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19 changes: 19 additions & 0 deletions source/source_base/module_device/memory_op.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -471,6 +471,19 @@ struct resize_memory_op_mt<FPTYPE, base_device::DEVICE_CPU>
}
};

template <typename FPTYPE>
struct set_memory_op_mt<FPTYPE, base_device::DEVICE_CPU>
{
void operator()(FPTYPE* arr, const int var, const size_t size)
{
ModuleBase::OMP_PARALLEL([&](int num_thread, int thread_id) {
int beg = 0, len = 0;
ModuleBase::BLOCK_TASK_DIST_1D(num_thread, thread_id, size, (size_t)4096 / sizeof(FPTYPE), beg, len);
memset(arr + beg, var, sizeof(FPTYPE) * len);
});
}
};

template <typename FPTYPE>
struct delete_memory_op_mt<FPTYPE, base_device::DEVICE_CPU>
{
Expand All @@ -487,6 +500,12 @@ template struct resize_memory_op_mt<double, base_device::DEVICE_CPU>;
template struct resize_memory_op_mt<std::complex<float>, base_device::DEVICE_CPU>;
template struct resize_memory_op_mt<std::complex<double>, base_device::DEVICE_CPU>;

template struct set_memory_op_mt<int, base_device::DEVICE_CPU>;
template struct set_memory_op_mt<float, base_device::DEVICE_CPU>;
template struct set_memory_op_mt<double, base_device::DEVICE_CPU>;
template struct set_memory_op_mt<std::complex<float>, base_device::DEVICE_CPU>;
template struct set_memory_op_mt<std::complex<double>, base_device::DEVICE_CPU>;

template struct delete_memory_op_mt<int, base_device::DEVICE_CPU>;
template struct delete_memory_op_mt<float, base_device::DEVICE_CPU>;
template struct delete_memory_op_mt<double, base_device::DEVICE_CPU>;
Expand Down
14 changes: 14 additions & 0 deletions source/source_base/module_device/memory_op.h
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Expand Up @@ -234,6 +234,20 @@ struct resize_memory_op_mt
void operator()(FPTYPE*& arr, const size_t size, const char* record_in = nullptr);
};

template <typename FPTYPE, typename Device>
struct set_memory_op_mt
{
/// @brief memset for DSP memory allocated by mt allocator.
///
/// Input Parameters
/// \param var : the specified constant byte value
/// \param size : array size
///
/// Output Parameters
/// \param arr : output array initialized by the input value
void operator()(FPTYPE* arr, const int var, const size_t size);
};

template <typename FPTYPE, typename Device>
struct delete_memory_op_mt
{
Expand Down
11 changes: 6 additions & 5 deletions source/source_pw/module_pwdft/op_pw_nl.h
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Expand Up @@ -88,14 +88,15 @@ class Nonlocal<OperatorPW<T, Device>> : public OperatorPW<T, Device>
using gemv_op = ModuleBase::gemv_op<T, Device>;
using gemm_op = ModuleBase::gemm_op<T, Device>;
using nonlocal_op = nonlocal_pw_op<Real, Device>;
using setmem_complex_op = base_device::memory::set_memory_op<T, Device>;
#ifdef __DSP
#ifdef __DSP
using setmem_complex_op = base_device::memory::set_memory_op_mt<T, Device>;
using resmem_complex_op = base_device::memory::resize_memory_op_mt<T, Device>;
using delmem_complex_op = base_device::memory::delete_memory_op_mt<T, Device>;
#else
#else
using setmem_complex_op = base_device::memory::set_memory_op<T, Device>;
using resmem_complex_op = base_device::memory::resize_memory_op<T, Device>;
using delmem_complex_op = base_device::memory::delete_memory_op<T, Device>;
#endif
#endif
using syncmem_complex_h2d_op = base_device::memory::synchronize_memory_op<T, Device, base_device::DEVICE_CPU>;

T one{1, 0};
Expand All @@ -104,4 +105,4 @@ class Nonlocal<OperatorPW<T, Device>> : public OperatorPW<T, Device>

} // namespace hamilt

#endif
#endif
31 changes: 19 additions & 12 deletions source/source_pw/module_pwdft/vnl_pw.cpp
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Expand Up @@ -64,6 +64,13 @@ void pseudopot_cell_vnl::release_memory()
delmem_ch_op()(this->c_deeq_nc);
delmem_ch_op()(this->c_vkb);
delmem_ch_op()(this->c_qq_so);
#ifdef __DSP
if (this->z_vkb != nullptr)
{
base_device::memory::delete_memory_op_mt<std::complex<double>, base_device::DEVICE_CPU>()(this->z_vkb);
this->z_vkb = nullptr;
}
#endif
// There's no need to delete double precision pointers while in a CPU environment.
}
memory_released = true;
Expand Down Expand Up @@ -273,13 +280,13 @@ void pseudopot_cell_vnl::init(const UnitCell& ucell,
resmem_sh_op()(s_tab, this->tab.getSize());
resmem_ch_op()(c_vkb, nkb * npwx);
}
#ifdef __DSP
#ifdef __DSP
base_device::memory::resize_memory_op_mt<std::complex<double>, base_device::DEVICE_CPU>()
(this->z_vkb, this->vkb.size, "Nonlocal<PW>::ps");
memcpy(this->z_vkb,this->vkb.c,this->vkb.size*16);
#else
(this->z_vkb, this->vkb.size, "VNL::z_vkb");
// memcpy(this->z_vkb,this->vkb.c,this->vkb.size*16);
#else
this->z_vkb = this->vkb.c;
#endif
#endif
Comment on lines +283 to +289
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@mohanchen mohanchen Mar 20, 2026

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This possible should be considered, what's your opinion?

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@mohanchen mohanchen Mar 20, 2026

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@Cstandardlib

this->d_tab = this->tab.ptr;
// There's no need to delete double precision pointers while in a CPU environment.
}
Expand All @@ -293,12 +300,12 @@ void pseudopot_cell_vnl::init(const UnitCell& ucell,
// with structure factor, for all atoms, in reciprocal space
//----------------------------------------------------------
template <typename FPTYPE, typename Device>
void pseudopot_cell_vnl::getvnl(Device* ctx,
void pseudopot_cell_vnl::getvnl(Device* ctx,
const UnitCell& ucell,
const int& ik,
const int& ik,
std::complex<FPTYPE>* vkb_in) const
{
if (PARAM.inp.test_pp)
if (PARAM.inp.test_pp)
{
ModuleBase::TITLE("pseudopot_cell_vnl", "getvnl");
}
Expand Down Expand Up @@ -732,10 +739,10 @@ void pseudopot_cell_vnl::init_vnl(UnitCell& cell, const ModulePW::PW_Basis* rho_
for (int iq = 0; iq < PARAM.globalv.nqx; iq++)
{
const double q = iq * PARAM.globalv.dq;
ModuleBase::Sphbes::Spherical_Bessel(kkbeta, cell.atoms[it].ncpp.r.data(), q, l, jl);
ModuleBase::Sphbes::Spherical_Bessel(kkbeta, cell.atoms[it].ncpp.r.data(), q, l, jl);
for (int ir = 0; ir < kkbeta; ir++)
{
aux[ir] = cell.atoms[it].ncpp.betar(ib, ir) * jl[ir] * cell.atoms[it].ncpp.r[ir];
{
aux[ir] = cell.atoms[it].ncpp.betar(ib, ir) * jl[ir] * cell.atoms[it].ncpp.r[ir];
}
double vqint=0.0;
ModuleBase::Integral::Simpson_Integral(kkbeta, aux, cell.atoms[it].ncpp.rab.data(), vqint);
Expand Down Expand Up @@ -1723,7 +1730,7 @@ template void pseudopot_cell_vnl::getvnl<float, base_device::DEVICE_CPU>(base_de
int const&,
std::complex<float>*) const;
template void pseudopot_cell_vnl::getvnl<double, base_device::DEVICE_CPU>(base_device::DEVICE_CPU*,
const UnitCell&,
const UnitCell&,
int const&,
std::complex<double>*) const;
#if defined(__CUDA) || defined(__ROCM)
Expand Down
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