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Fix: provide more information on 2d process grid error message #5509

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merged 1 commit into from
Nov 17, 2024
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Fix: provide more information on 2d process grid error message #5509

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5 changes: 4 additions & 1 deletion source/module_basis/module_ao/parallel_orbitals.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -247,7 +247,10 @@ int Parallel_Orbitals::set_nloc_wfc_Eij(
}
else
{
ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij", "some processor has no bands-row-blocks.");
ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij",
"The number of columns of the 2D process grid exceeds the number of bands. "
"Try launching the calculation with fewer MPI processes."
);
}
}
int col_b_bands = block / dim1;
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