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2026PKUCourseHW5: Fix(io): check nx*ny*nz before glo_order allocation in read_wfc_pw #7180

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Merged
mohanchen merged 1 commit into from
Mar 29, 2026
Merged

2026PKUCourseHW5: Fix(io): check nx*ny*nz before glo_order allocation in read_wfc_pw #7180

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15 changes: 13 additions & 2 deletions source/source_io/module_wf/read_wfc_pw.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,8 @@
#include "source_base/timer.h"
#include "source_base/vector3.h"

#include <limits>

void ModuleIO::read_wfc_pw(const std::string& filename,
const ModulePW::PW_Basis_K* pw_wfc,
const int rank_in_pool,
Expand Down Expand Up @@ -195,9 +197,18 @@ void ModuleIO::read_wfc_pw(const std::string& filename,
rfs >> size;
}

const size_t nxyz_sz = static_cast<size_t>(nx) * static_cast<size_t>(ny) * static_cast<size_t>(nz);
if (nx <= 0 || ny <= 0 || nz <= 0
|| nxyz_sz > static_cast<size_t>(std::numeric_limits<int>::max()))
{
ModuleBase::WARNING_QUIT("ModuleIO::read_wfc_pw",
"Invalid FFT grid or nx*ny*nz overflow for glo_order allocation.");
}
const int nxyz = static_cast<int>(nxyz_sz);

// map global index to read ordering for plane waves
glo_order = new int[nx * ny * nz];
for (int i = 0; i < nx * ny * nz; i++)
glo_order = new int[nxyz];
for (int i = 0; i < nxyz; i++)
{
glo_order[i] = -1;
}
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