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2026PKUCourseHW5: Case: 4 - Implement file loading in root process #7186

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2026PKUCourseHW5: Case: 4 - Implement file loading in root process #7186

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4acf8ca
2025PKUCourseHW5: Case: 1 - Change rank_seed_offset to static const
Silver-Moon-Over-Snow Mar 28, 2026
c54aac5
Merge pull request #1 from Silver-Moon-Over-Snow/Silver-Moon-Over-Sno…
Silver-Moon-Over-Snow Mar 28, 2026
dfa74df
2026PKUCourseHW5: Case: 4 - Implement file loading in root process
Silver-Moon-Over-Snow Mar 28, 2026
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18 changes: 17 additions & 1 deletion source/source_hsolver/module_genelpa/utils.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -88,11 +88,27 @@ void loadMatrix(const char FileName[], int nFull, double* a, int* desca, int bla
int nprows, npcols, myprow, mypcol;
Cblacs_gridinfo(blacs_ctxt, &nprows, &npcols, &myprow, &mypcol);
int myid = Cblacs_pnum(blacs_ctxt, myprow, mypcol);

const int ROOT_PROC = 0;

std::ifstream matrixFile;

if (myid == ROOT_PROC)
{
matrixFile.open(FileName);
if (!matrixFile.is_open())
{
#ifdef __MPI
std::cerr << "LoadError in opening '" << FileName << "'" << std::endl;
MPI_Abort(MPI_COMM_WORLD, 1);
#else
throw std::runtime_error(std::string("LoadError in opening '") + FileName + "'");
#endif
}
}
else
{
std::cout << "Process " << myid << ": Waiting for root process to load file..." << std::endl;
}

double* b = nullptr; // buffer
const int MAX_BUFFER_SIZE = 1e9; // max buffer size is 1GB
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2 changes: 1 addition & 1 deletion source/source_pw/module_stodft/sto_wf.cpp
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Expand Up @@ -63,7 +63,7 @@ void Stochastic_WF<T, Device>::clean_chiallorder()
template <typename T, typename Device>
void Stochastic_WF<T, Device>::init_sto_orbitals(const int seed_in)
{
const unsigned int rank_seed_offset = 10000;
static const unsigned int rank_seed_offset = 10000;
if (seed_in == 0 || seed_in == -1)
{
srand(static_cast<unsigned int>(time(nullptr)) + GlobalV::MY_RANK * rank_seed_offset); // GlobalV global variables are reserved
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