diff --git a/source/module_basis/module_ao/parallel_orbitals.cpp b/source/module_basis/module_ao/parallel_orbitals.cpp index e057b7fb29..880c43656a 100644 --- a/source/module_basis/module_ao/parallel_orbitals.cpp +++ b/source/module_basis/module_ao/parallel_orbitals.cpp @@ -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;