#include <deal.II/base/conditional_ostream.h>
#include <deal.II/base/index_set.h>
#include <deal.II/base/mpi.h>
#include <deal.II/lac/dynamic_sparsity_pattern.h>
#include <deal.II/lac/petsc_sparse_matrix.h>
using namespace dealii;
class OneBodyHamiltonianOperator
{
public:
/**
* Declare type for container size.
*/
using size_type = dealii::types::global_dof_index;
OneBodyHamiltonianOperator(const dealii::IndexSet &a_local_row_set,
const uint32_t a_my_proc,
const uint32_t a_num_procs);
/// Destructor
~OneBodyHamiltonianOperator();
private:
dealii::PETScWrappers::MPI::SparseMatrix m_H1;
dealii::DynamicSparsityPattern m_dynamic_sparsity_pattern;
};
OneBodyHamiltonianOperator::OneBodyHamiltonianOperator(
const dealii::IndexSet &a_local_row_set,
const uint32_t a_my_proc,
const uint32_t a_num_procs)
{
dealii::IndexSet local_owned(a_local_row_set.size());
local_owned.add_range(*a_local_row_set.begin(),
*a_local_row_set.begin() +
a_local_row_set.n_elements());
m_dynamic_sparsity_pattern.reinit(a_local_row_set.size(),
a_local_row_set.size(),
local_owned);
int guess = 50;
m_H1.reinit(MPI_COMM_WORLD,
a_local_row_set.size(),
a_local_row_set.size(),
a_local_row_set.n_elements(),
a_local_row_set.size(),
guess);
}
OneBodyHamiltonianOperator::~OneBodyHamiltonianOperator()
{}
void
test(const int &n_proc, const int &my_proc, const ConditionalOStream &pcout)
{
auto nbas = 64;
auto nchannels = 2;
IndexSet local_row_set =
Utilities::create_evenly_distributed_partitioning(my_proc,
n_proc,
nbas * nchannels);
OneBodyHamiltonianOperator H1(local_row_set, my_proc, n_proc);
}
int
main(int argc, char **argv)
{
Utilities::MPI::MPI_InitFinalize mpi_initialization(argc, argv, 1);
MPI_Comm comm(MPI_COMM_WORLD);
const auto my_proc = Utilities::MPI::this_mpi_process(comm);
const auto n_proc = Utilities::MPI::n_mpi_processes(comm);
ConditionalOStream pcout(std::cout, (my_proc == 0));
test(n_proc, my_proc, pcout);
return 0;
}
Let me know if this is okay. This compiled, ran, and produced the same
error on my end.
Thank you!
Zachary
On Tuesday, January 5, 2021 at 8:52:16 AM UTC-6 Wolfgang Bangerth wrote:
>
> > My project is in quantum scattering and I would like to have some
> operators be
> > distributed PETSc objects. So inside my OneBodyHamiltonianOperator
> class (for
> > example), I would like to create a PETScWrappers::MPI::SparseMatrix and
> then
> > use SLEPC to solve for the ground state and excited states.
> >
> > I tried to add in comments to everything to show my intent.
>
> Zachary -- can you put all of this into one single file and add all of the
> necessary #includes at the top? Make it easy for us to have something we
> can
> compile and run :-)
>
> Cheers
> W.
>
> --
> ------------------------------------------------------------------------
> Wolfgang Bangerth email: [email protected]
> www: http://www.math.colostate.edu/~bangerth/
>
>
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