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Fix a segment fault in distributing lcao wavefunction #3191

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Merged
caic99 merged 1 commit into from
Nov 13, 2023
Merged

Fix a segment fault in distributing lcao wavefunction #3191

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4 changes: 2 additions & 2 deletions source/module_io/read_wfc_nao.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -330,7 +330,7 @@ void ModuleIO::distri_wfc_nao(double** ctot, const int& is,
//1. alloc work array; set some parameters

long maxnloc; // maximum number of elements in local matrix
MPI_Reduce(&ParaV->nloc, &maxnloc, 1, MPI_LONG, MPI_MAX, 0, ParaV->comm_2D);
MPI_Reduce(&ParaV->nloc_wfc, &maxnloc, 1, MPI_LONG, MPI_MAX, 0, ParaV->comm_2D);
MPI_Bcast(&maxnloc, 1, MPI_LONG, 0, ParaV->comm_2D);
//reduce and bcast could be replaced by allreduce

Expand Down Expand Up @@ -375,7 +375,7 @@ assert(GlobalV::NB2D > 0);
const int inc=1;
if(myid==src_rank)
{
BlasConnector::copy(ParaV->nloc, work, inc, &(psid[0](is, 0, 0)), inc);
BlasConnector::copy(ParaV->nloc_wfc, work, inc, &(psid[0](is, 0, 0)), inc);
}
}//loop ipcol
}//loop iprow
Expand Down