deal.II version GIT relicensing-2173-gae8fc9d14b 2024-11-24 06:40:00+00:00
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step-37.h
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1) const
757 *   {
758 *   return 1. / (0.05 + 2. * p.square());
759 *   }
760 *  
761 *  
762 *  
763 *   template <int dim>
764 *   double Coefficient<dim>::value(const Point<dim> &p,
765 *   const unsigned int component) const
766 *   {
767 *   return value<double>(p, component);
768 *   }
769 *  
770 *  
771 * @endcode
772 *
773 *
774 * <a name="step_37-Matrixfreeimplementation"></a>
775 * <h3>Matrix-free implementation</h3>
776 *
777
778 *
779 * The following class, called <code>LaplaceOperator</code>, implements the
780 * differential operator. For all practical purposes, it is a matrix, i.e.,
781 * you can ask it for its size (member functions <code>m(), n()</code>) and
782 * you can apply it to a vector (the <code>vmult()</code> function). The
783 * difference to a real matrix of course lies in the fact that this class
784 * does not actually store the <i>elements</i> of the matrix, but only knows
785 * how to compute the action of the operator when applied to a vector.
786 *
787
788 *
789 * The infrastructure describing the matrix size, the initialization from a
790 * MatrixFree object, and the various interfaces to matrix-vector products
791 * through vmult() and Tvmult() methods, is provided by the class
792 * MatrixFreeOperator::Base from which this class derives. The
793 * LaplaceOperator class defined here only has to provide a few interfaces,
794 * namely the actual action of the operator through the apply_add() method
795 * that gets used in the vmult() functions, and a method to compute the
796 * diagonal entries of the underlying matrix. We need the diagonal for the
797 * definition of the multigrid smoother. Since we consider a problem with
798 * variable coefficient, we further implement a method that can fill the
799 * coefficient values.
800 *
801
802 *
803 * Note that the file <code>include/deal.II/matrix_free/operators.h</code>
804 * already contains an implementation of the Laplacian through the class
805 * MatrixFreeOperators::LaplaceOperator. For educational purposes, the
806 * operator is re-implemented in this tutorial program, explaining the
807 * ingredients and concepts used there.
808 *
809
810 *
811 * This program makes use of the data cache for finite element operator
812 * application that is integrated in deal.II. This data cache class is
813 * called MatrixFree. It contains mapping information (Jacobians) and index
814 * relations between local and global degrees of freedom. It also contains
815 * constraints like the ones from hanging nodes or Dirichlet boundary
816 * conditions. Moreover, it can issue a loop over all cells in %parallel,
817 * making sure that only cells are worked on that do not share any degree of
818 * freedom (this makes the loop thread-safe when writing into destination
819 * vectors). This is a more advanced strategy compared to the WorkStream
820 * class described in the @ref threads topic. Of course, to not destroy
821 * thread-safety, we have to be careful when writing into class-global
822 * structures.
823 *
824
825 *
826 * The class implementing the Laplace operator has three template arguments,
827 * one for the dimension (as many deal.II classes carry), one for the degree
828 * of the finite element (which we need to enable efficient computations
829 * through the FEEvaluation class), and one for the underlying scalar
830 * type. We want to use <code>double</code> numbers (i.e., double precision,
831 * 64-bit floating point) for the final matrix, but floats (single
832 * precision, 32-bit floating point numbers) for the multigrid level
833 * matrices (as that is only a preconditioner, and floats can be processed
834 * twice as fast). The class FEEvaluation also takes a template argument for
835 * the number of quadrature points in one dimension. In the code below, we
836 * hard-code it to <code>fe_degree+1</code>. If we wanted to change it
837 * independently of the polynomial degree, we would need to add a template
838 * parameter as is done in the MatrixFreeOperators::LaplaceOperator class.
839 *
840
841 *
842 * As a sidenote, if we implemented several different operations on the same
843 * grid and degrees of freedom (like a @ref GlossMassMatrix "mass matrix" and a Laplace matrix), we
844 * would define two classes like the current one for each of the operators
845 * (derived from the MatrixFreeOperators::Base class), and let both of them
846 * refer to the same MatrixFree data cache from the general problem
847 * class. The interface through MatrixFreeOperators::Base requires us to
848 * only provide a minimal set of functions. This concept allows for writing
849 * complex application codes with many matrix-free operations.
850 *
851
852 *
853 * @note Storing values of type <code>VectorizedArray<number></code>
854 * requires care: Here, we use the deal.II table class which is prepared to
855 * hold the data with correct alignment. However, storing e.g. an
856 * <code>std::vector<VectorizedArray<number> ></code> is not possible with
857 * vectorization: A certain alignment of the data with the memory address
858 * boundaries is required (essentially, a VectorizedArray that is 32 bytes
859 * long in case of AVX needs to start at a memory address that is divisible
860 * by 32). The table class (as well as the AlignedVector class it is based
861 * on) makes sure that this alignment is respected, whereas std::vector does
862 * not in general, which may lead to segmentation faults at strange places
863 * for some systems or suboptimal performance for other systems.
864 *
865 * @code
866 *   template <int dim, int fe_degree, typename number>
867 *   class LaplaceOperator
868 *   : public MatrixFreeOperators::
869 *   Base<dim, LinearAlgebra::distributed::Vector<number>>
870 *   {
871 *   public:
872 *   using value_type = number;
873 *  
874 *   LaplaceOperator();
875 *  
876 *   void clear() override;
877 *  
878 *   void evaluate_coefficient(const Coefficient<dim> &coefficient_function);
879 *  
880 *   virtual void compute_diagonal() override;
881 *  
882 *   private:
883 *   virtual void apply_add(
885 *   const LinearAlgebra::distributed::Vector<number> &src) const override;
886 *  
887 *   void
888 *   local_apply(const MatrixFree<dim, number> &data,
891 *   const std::pair<unsigned int, unsigned int> &cell_range) const;
892 *  
893 *   void local_compute_diagonal(
895 *  
896 *   Table<2, VectorizedArray<number>> coefficient;
897 *   };
898 *  
899 *  
900 *  
901 * @endcode
902 *
903 * This is the constructor of the @p LaplaceOperator class. All it does is
904 * to call the default constructor of the base class
905 * MatrixFreeOperators::Base, which in turn is based on the
906 * EnableObserverPointer class that asserts that this class is
907 * not accessed after going out of scope e.g. in a preconditioner.
908 *
909 * @code
910 *   template <int dim, int fe_degree, typename number>
911 *   LaplaceOperator<dim, fe_degree, number>::LaplaceOperator()
912 *   : MatrixFreeOperators::Base<dim,
914 *   {}
915 *  
916 *  
917 *  
918 *   template <int dim, int fe_degree, typename number>
919 *   void LaplaceOperator<dim, fe_degree, number>::clear()
920 *   {
921 *   coefficient.reinit(0, 0);
923 *   clear();
924 *   }
925 *  
926 *  
927 *  
928 * @endcode
929 *
930 *
931 * <a name="step_37-Computationofcoefficient"></a>
932 * <h4>Computation of coefficient</h4>
933 *
934
935 *
936 * To initialize the coefficient, we directly give it the Coefficient class
937 * defined above and then select the method
938 * <code>coefficient_function.value</code> with vectorized number (which the
939 * compiler can deduce from the point data type). The use of the
940 * FEEvaluation class (and its template arguments) will be explained below.
941 *
942 * @code
943 *   template <int dim, int fe_degree, typename number>
944 *   void LaplaceOperator<dim, fe_degree, number>::evaluate_coefficient(
945 *   const Coefficient<dim> &coefficient_function)
946 *   {
947 *   const unsigned int n_cells = this->data->n_cell_batches();
949 *  
950 *   coefficient.reinit(n_cells, phi.n_q_points);
951 *   for (unsigned int cell = 0; cell < n_cells; ++cell)
952 *   {
953 *   phi.reinit(cell);
954 *   for (const unsigned int q : phi.quadrature_point_indices())
955 *   coefficient(cell, q) =
956 *   coefficient_function.value(phi.quadrature_point(q));
957 *   }
958 *   }
959 *  
960 *  
961 *  
962 * @endcode
963 *
964 *
965 * <a name="step_37-LocalevaluationofLaplaceoperator"></a>
966 * <h4>Local evaluation of Laplace operator</h4>
967 *
968
969 *
970 * Here comes the main function of this class, the evaluation of the
971 * matrix-vector product (or, in general, a finite element operator
972 * evaluation). This is done in a function that takes exactly four
973 * arguments, the MatrixFree object, the destination and source vectors, and
974 * a range of cells that are to be worked on. The method
975 * <code>cell_loop</code> in the MatrixFree class will internally call this
976 * function with some range of cells that is obtained by checking which
977 * cells are possible to work on simultaneously so that write operations do
978 * not cause any race condition. Note that the cell range used in the loop
979 * is not directly the number of (active) cells in the current mesh, but
980 * rather a collection of batches of cells. In other word, "cell" may be
981 * the wrong term to begin with, since FEEvaluation groups data from several
982 * cells together. This means that in the loop over quadrature points we are
983 * actually seeing a group of quadrature points of several cells as one
984 * block. This is done to enable a higher degree of vectorization. The
985 * number of such "cells" or "cell batches" is stored in MatrixFree and can
986 * be queried through MatrixFree::n_cell_batches(). Compared to the deal.II
987 * cell iterators, in this class all cells are laid out in a plain array
988 * with no direct knowledge of level or neighborship relations, which makes
989 * it possible to index the cells by unsigned integers.
990 *
991
992 *
993 * The implementation of the Laplace operator is quite simple: First, we
994 * need to create an object FEEvaluation that contains the computational
995 * kernels and has data fields to store temporary results (e.g. gradients
996 * evaluated on all quadrature points on a collection of a few cells). Note
997 * that temporary results do not use a lot of memory, and since we specify
998 * template arguments with the element order, the data is stored on the
999 * stack (without expensive memory allocation). Usually, one only needs to
1000 * set two template arguments, the dimension as a first argument and the
1001 * degree of the finite element as the second argument (this is equal to the
1002 * number of degrees of freedom per dimension minus one for FE_Q
1003 * elements). However, here we also want to be able to use float numbers for
1004 * the multigrid preconditioner, which is the last (fifth) template
1005 * argument. Therefore, we cannot rely on the default template arguments and
1006 * must also fill the third and fourth field, consequently. The third
1007 * argument specifies the number of quadrature points per direction and has
1008 * a default value equal to the degree of the element plus one. The fourth
1009 * argument sets the number of components (one can also evaluate
1010 * vector-valued functions in systems of PDEs, but the default is a scalar
1011 * element), and finally the last argument sets the number type.
1012 *
1013
1014 *
1015 * Next, we loop over the given cell range and then we continue with the
1016 * actual implementation: <ol> <li>Tell the FEEvaluation object the (macro)
1017 * cell we want to work on. <li>Read in the values of the source vectors
1018 * (@p read_dof_values), including the resolution of constraints. This
1019 * stores @f$u_\mathrm{cell}@f$ as described in the introduction. <li>Compute
1020 * the unit-cell gradient (the evaluation of finite element
1021 * functions). Since FEEvaluation can combine value computations with
1022 * gradient computations, it uses a unified interface to all kinds of
1023 * derivatives of order between zero and two. We only want gradients, no
1024 * values and no second derivatives, so we set the function arguments to
1025 * true in the gradient slot (second slot), and to false in the values slot
1026 * (first slot). There is also a third slot for the Hessian which is
1027 * false by default, so it needs not be given. Note that the FEEvaluation
1028 * class internally evaluates shape functions in an efficient way where one
1029 * dimension is worked on at a time (using the tensor product form of shape
1030 * functions and quadrature points as mentioned in the introduction). This
1031 * gives complexity equal to @f$\mathcal O(d^2 (p+1)^{d+1})@f$ for polynomial
1032 * degree @f$p@f$ in @f$d@f$ dimensions, compared to the naive approach with loops
1033 * over all local degrees of freedom and quadrature points that is used in
1034 * FEValues and costs @f$\mathcal O(d (p+1)^{2d})@f$. <li>Next comes the
1035 * application of the Jacobian transformation, the multiplication by the
1036 * variable coefficient and the quadrature weight. FEEvaluation has an
1037 * access function @p get_gradient that applies the Jacobian and returns the
1038 * gradient in real space. Then, we just need to multiply by the (scalar)
1039 * coefficient, and let the function @p submit_gradient apply the second
1040 * Jacobian (for the test function) and the quadrature weight and Jacobian
1041 * determinant (JxW). Note that the submitted gradient is stored in the same
1042 * data field as where it is read from in @p get_gradient. Therefore, you
1043 * need to make sure to not read from the same quadrature point again after
1044 * having called @p submit_gradient on that particular quadrature point. In
1045 * general, it is a good idea to copy the result of @p get_gradient when it
1046 * is used more often than once. <li>Next follows the summation over
1047 * quadrature points for all test functions that corresponds to the actual
1048 * integration step. For the Laplace operator, we just multiply by the
1049 * gradient, so we call the integrate function with the respective argument
1050 * set. If you have an equation where you test by both the values of the
1051 * test functions and the gradients, both template arguments need to be set
1052 * to true. Calling first the integrate function for values and then
1053 * gradients in a separate call leads to wrong results, since the second
1054 * call will internally overwrite the results from the first call. Note that
1055 * there is no function argument for the second derivative for integrate
1056 * step. <li>Eventually, the local contributions in the vector
1057 * @f$v_\mathrm{cell}@f$ as mentioned in the introduction need to be added into
1058 * the result vector (and constraints are applied). This is done with a call
1059 * to @p distribute_local_to_global, the same name as the corresponding
1060 * function in the AffineConstraints (only that we now store the local vector
1061 * in the FEEvaluation object, as are the indices between local and global
1062 * degrees of freedom). </ol>
1063 *
1064 * @code
1065 *   template <int dim, int fe_degree, typename number>
1066 *   void LaplaceOperator<dim, fe_degree, number>::local_apply(
1067 *   const MatrixFree<dim, number> &data,
1070 *   const std::pair<unsigned int, unsigned int> &cell_range) const
1071 *   {
1073 *  
1074 *   for (unsigned int cell = cell_range.first; cell < cell_range.second; ++cell)
1075 *   {
1076 *   AssertDimension(coefficient.size(0), data.n_cell_batches());
1077 *   AssertDimension(coefficient.size(1), phi.n_q_points);
1078 *  
1079 *   phi.reinit(cell);
1080 *   phi.read_dof_values(src);
1081 *   phi.evaluate(EvaluationFlags::gradients);
1082 *   for (const unsigned int q : phi.quadrature_point_indices())
1083 *   phi.submit_gradient(coefficient(cell, q) * phi.get_gradient(q), q);
1084 *   phi.integrate(EvaluationFlags::gradients);
1085 *   phi.distribute_local_to_global(dst);
1086 *   }
1087 *   }
1088 *  
1089 *  
1090 *  
1091 * @endcode
1092 *
1093 * This function implements the loop over all cells for the
1094 * Base::apply_add() interface. This is done with the @p cell_loop of the
1095 * MatrixFree class, which takes the operator() of this class with arguments
1096 * MatrixFree, OutVector, InVector, cell_range. When working with MPI
1097 * parallelization (but no threading) as is done in this tutorial program,
1098 * the cell loop corresponds to the following three lines of code:
1099 *
1100
1101 *
1102 * <div class=CodeFragmentInTutorialComment>
1103 * @code
1104 * src.update_ghost_values();
1105 * local_apply(*this->data, dst, src, std::make_pair(0U,
1106 * data.n_cell_batches()));
1107 * dst.compress(VectorOperation::add);
1108 * @endcode
1109 * </div>
1110 *
1111
1112 *
1113 * Here, the two calls update_ghost_values() and compress() perform the data
1114 * exchange on processor boundaries for MPI, once for the source vector
1115 * where we need to read from entries owned by remote processors, and once
1116 * for the destination vector where we have accumulated parts of the
1117 * residuals that need to be added to the respective entry of the owner
1118 * processor. However, MatrixFree::cell_loop does not only abstract away
1119 * those two calls, but also performs some additional optimizations. On the
1120 * one hand, it will split the update_ghost_values() and compress() calls in
1121 * a way to allow for overlapping communication and computation. The
1122 * local_apply function is then called with three cell ranges representing
1123 * partitions of the cell range from 0 to MatrixFree::n_cell_batches(). On
1124 * the other hand, cell_loop also supports thread parallelism in which case
1125 * the cell ranges are split into smaller chunks and scheduled in an
1126 * advanced way that avoids access to the same vector entry by several
1127 * threads. That feature is explained in @ref step_48 "step-48".
1128 *
1129
1130 *
1131 * Note that after the cell loop, the constrained degrees of freedom need to
1132 * be touched once more for sensible vmult() operators: Since the assembly
1133 * loop automatically resolves constraints (just as the
1134 * AffineConstraints::distribute_local_to_global() call does), it does not
1135 * compute any contribution for constrained degrees of freedom, leaving the
1136 * respective entries zero. This would represent a matrix that had empty
1137 * rows and columns for constrained degrees of freedom. However, iterative
1138 * solvers like CG only work for non-singular matrices. The easiest way to
1139 * do that is to set the sub-block of the matrix that corresponds to
1140 * constrained DoFs to an identity matrix, in which case application of the
1141 * matrix would simply copy the elements of the right hand side vector into
1142 * the left hand side. Fortunately, the vmult() implementations
1143 * MatrixFreeOperators::Base do this automatically for us outside the
1144 * apply_add() function, so we do not need to take further action here.
1145 *
1146
1147 *
1148 * When using the combination of MatrixFree and FEEvaluation in parallel
1149 * with MPI, there is one aspect to be careful about &mdash; the indexing
1150 * used for accessing the vector. For performance reasons, MatrixFree and
1151 * FEEvaluation are designed to access vectors in MPI-local index space also
1152 * when working with multiple processors. Working in local index space means
1153 * that no index translation needs to be performed at the place the vector
1154 * access happens, apart from the unavoidable indirect addressing. However,
1155 * local index spaces are ambiguous: While it is standard convention to
1156 * access the locally owned range of a vector with indices between 0 and the
1157 * local size, the numbering is not so clear for the ghosted entries and
1158 * somewhat arbitrary. For the matrix-vector product, only the indices
1159 * appearing on locally owned cells (plus those referenced via hanging node
1160 * constraints) are necessary. However, in deal.II we often set all the
1161 * degrees of freedom on ghosted elements as ghosted vector entries, called
1162 * the
1163 * @ref GlossLocallyRelevantDof "locally relevant DoFs described in the glossary".
1164 * In that case, the MPI-local index of a ghosted vector entry can in
1165 * general be different in the two possible ghost sets, despite referring
1166 * to the same global index. To avoid problems, FEEvaluation checks that
1167 * the partitioning of the vector used for the matrix-vector product does
1168 * indeed match with the partitioning of the indices in MatrixFree by a
1169 * check called
1170 * LinearAlgebra::distributed::Vector::partitioners_are_compatible. To
1171 * facilitate things, the MatrixFreeOperators::Base class includes a
1172 * mechanism to fit the ghost set to the correct layout. This happens in the
1173 * ghost region of the vector, so keep in mind that the ghost region might
1174 * be modified in both the destination and source vector after a call to a
1175 * vmult() method. This is legitimate because the ghost region of a
1176 * distributed deal.II vector is a mutable section and filled on
1177 * demand. Vectors used in matrix-vector products must not be ghosted upon
1178 * entry of vmult() functions, so no information gets lost.
1179 *
1180 * @code
1181 *   template <int dim, int fe_degree, typename number>
1182 *   void LaplaceOperator<dim, fe_degree, number>::apply_add(
1183 *   LinearAlgebra::distributed::Vector<number> &dst,
1184 *   const LinearAlgebra::distributed::Vector<number> &src) const
1185 *   {
1186 *   this->data->cell_loop(&LaplaceOperator::local_apply, this, dst, src);
1187 *   }
1188 *  
1189 *  
1190 *  
1191 * @endcode
1192 *
1193 * The following function implements the computation of the diagonal of the
1194 * operator. Computing matrix entries of a matrix-free operator evaluation
1195 * turns out to be more complicated than evaluating the
1196 * operator. Fundamentally, we could obtain a matrix representation of the
1197 * operator by applying the operator on <i>all</i> unit vectors. Of course,
1198 * that would be very inefficient since we would need to perform <i>n</i>
1199 * operator evaluations to retrieve the whole matrix. Furthermore, this
1200 * approach would completely ignore the matrix sparsity. On an individual
1201 * cell, however, this is the way to go and actually not that inefficient as
1202 * there usually is a coupling between all degrees of freedom inside the
1203 * cell.
1204 *
1205
1206 *
1207 * We first initialize the diagonal vector to the correct parallel
1208 * layout. This vector is encapsulated in a member called
1209 * inverse_diagonal_entries of type DiagonalMatrix in the base class
1210 * MatrixFreeOperators::Base. This member is a shared pointer that we first
1211 * need to initialize and then get the vector representing the diagonal
1212 * entries in the matrix. As to the actual diagonal computation, we could
1213 * manually write a cell_loop and invoke a local worker that applies all unit
1214 * vectors on each cell. Instead, we use MatrixFreeTools::compute_diagonal()
1215 * to do this for us. Afterwards, we need to set the vector entries
1216 * subject to Dirichlet boundary conditions to one (either those on the
1217 * boundary described by the AffineConstraints object inside MatrixFree or
1218 * the indices at the interface between different grid levels in adaptive
1219 * multigrid). This is done through the function
1221 * with the setting in the matrix-vector product provided by the Base
1222 * operator. Finally, we need to invert the diagonal entries which is the
1223 * form required by the Chebyshev smoother based on the Jacobi iteration. In
1224 * the loop, we assert that all entries are non-zero, because they should
1225 * either have obtained a positive contribution from integrals or be
1226 * constrained and treated by @p set_constrained_entries_to_one().
1227 *
1228 * @code
1229 *   template <int dim, int fe_degree, typename number>
1230 *   void LaplaceOperator<dim, fe_degree, number>::compute_diagonal()
1231 *   {
1232 *   this->inverse_diagonal_entries.reset(
1234 *   LinearAlgebra::distributed::Vector<number> &inverse_diagonal =
1235 *   this->inverse_diagonal_entries->get_vector();
1236 *   this->data->initialize_dof_vector(inverse_diagonal);
1237 *  
1238 *   MatrixFreeTools::compute_diagonal(*this->data,
1239 *   inverse_diagonal,
1240 *   &LaplaceOperator::local_compute_diagonal,
1241 *   this);
1242 *  
1243 *   this->set_constrained_entries_to_one(inverse_diagonal);
1244 *  
1245 *   for (unsigned int i = 0; i < inverse_diagonal.locally_owned_size(); ++i)
1246 *   {
1247 *   Assert(inverse_diagonal.local_element(i) > 0.,
1248 *   ExcMessage("No diagonal entry in a positive definite operator "
1249 *   "should be zero"));
1250 *   inverse_diagonal.local_element(i) =
1251 *   1. / inverse_diagonal.local_element(i);
1252 *   }
1253 *   }
1254 *  
1255 *  
1256 *  
1257 * @endcode
1258 *
1259 * In the local compute loop, we compute the diagonal by a loop over all
1260 * columns in the local matrix and putting the entry 1 in the <i>i</i>th
1261 * slot and a zero entry in all other slots, i.e., we apply the cell-wise
1262 * differential operator on one unit vector at a time. The inner part
1263 * invoking FEEvaluation::evaluate(), the loop over quadrature points, and
1264 * FEEvaluation::integrate(), is exactly the same as in the local_apply
1265 * function. Afterwards, we pick out the <i>i</i>th entry of the local
1266 * result and put it to a temporary storage (as we overwrite all entries in
1267 * the array behind FEEvaluation::get_dof_value() with the next loop
1268 * iteration). Finally, the temporary storage is written to the destination
1269 * vector. Note how we use FEEvaluation::get_dof_value() and
1270 * FEEvaluation::submit_dof_value() to read and write to the data field that
1271 * FEEvaluation uses for the integration on the one hand and writes into the
1272 * global vector on the other hand.
1273 *
1274
1275 *
1276 * Given that we are only interested in the matrix diagonal, we simply throw
1277 * away all other entries of the local matrix that have been computed along
1278 * the way. While it might seem wasteful to compute the complete cell matrix
1279 * and then throw away everything but the diagonal, the integration are so
1280 * efficient that the computation does not take too much time. Note that the
1281 * complexity of operator evaluation per element is @f$\mathcal
1282 * O((p+1)^{d+1})@f$ for polynomial degree @f$k@f$, so computing the whole matrix
1283 * costs us @f$\mathcal O((p+1)^{2d+1})@f$ operations, not too far away from
1284 * @f$\mathcal O((p+1)^{2d})@f$ complexity for computing the diagonal with
1285 * FEValues. Since FEEvaluation is also considerably faster due to
1286 * vectorization and other optimizations, the diagonal computation with this
1287 * function is actually the fastest (simple) variant. (It would be possible
1288 * to compute the diagonal with sum factorization techniques in @f$\mathcal
1289 * O((p+1)^{d+1})@f$ operations involving specifically adapted
1290 * kernels&mdash;but since such kernels are only useful in that particular
1291 * context and the diagonal computation is typically not on the critical
1292 * path, they have not been implemented in deal.II.)
1293 *
1294
1295 *
1296 * Note that the code that calls distribute_local_to_global on the vector to
1297 * accumulate the diagonal entries into the global matrix has some
1298 * limitations. For operators with hanging node constraints that distribute
1299 * an integral contribution of a constrained DoF to several other entries
1300 * inside the distribute_local_to_global call, the vector interface used
1301 * here does not exactly compute the diagonal entries, but lumps some
1302 * contributions located on the diagonal of the local matrix that would end
1303 * up in a off-diagonal position of the global matrix to the diagonal. The
1304 * result is correct up to discretization accuracy as explained in <a
1305 * href="http://dx.doi.org/10.4208/cicp.101214.021015a">Kormann (2016),
1306 * section 5.3</a>, but not mathematically equal. In this tutorial program,
1307 * no harm can happen because the diagonal is only used for the multigrid
1308 * level matrices where no hanging node constraints appear.
1309 *
1310 * @code
1311 *   template <int dim, int fe_degree, typename number>
1312 *   void LaplaceOperator<dim, fe_degree, number>::local_compute_diagonal(
1314 *   {
1315 *   const unsigned int cell = phi.get_current_cell_index();
1316 *  
1317 *   phi.evaluate(EvaluationFlags::gradients);
1318 *  
1319 *   for (const unsigned int q : phi.quadrature_point_indices())
1320 *   {
1321 *   phi.submit_gradient(coefficient(cell, q) * phi.get_gradient(q), q);
1322 *   }
1323 *   phi.integrate(EvaluationFlags::gradients);
1324 *   }
1325 *  
1326 *  
1327 *  
1328 * @endcode
1329 *
1330 *
1331 * <a name="step_37-LaplaceProblemclass"></a>
1332 * <h3>LaplaceProblem class</h3>
1333 *
1334
1335 *
1336 * This class is based on the one in @ref step_16 "step-16". However, we replaced the
1337 * SparseMatrix<double> class by our matrix-free implementation, which means
1338 * that we can also skip the sparsity patterns. Notice that we define the
1339 * LaplaceOperator class with the degree of finite element as template
1340 * argument (the value is defined at the top of the file), and that we use
1341 * float numbers for the multigrid level matrices.
1342 *
1343
1344 *
1345 * The class also has a member variable to keep track of all the detailed
1346 * timings for setting up the entire chain of data before we actually go
1347 * about solving the problem. In addition, there is an output stream (that
1348 * is disabled by default) that can be used to output details for the
1349 * individual setup operations instead of the summary only that is printed
1350 * out by default.
1351 *
1352
1353 *
1354 * Since this program is designed to be used with MPI, we also provide the
1355 * usual @p pcout output stream that only prints the information of the
1356 * processor with MPI rank 0. The grid used for this programs can either be
1357 * a distributed triangulation based on p4est (in case deal.II is configured
1358 * to use p4est), otherwise it is a serial grid that only runs without MPI.
1359 *
1360 * @code
1361 *   template <int dim>
1362 *   class LaplaceProblem
1363 *   {
1364 *   public:
1365 *   LaplaceProblem();
1366 *   void run();
1367 *  
1368 *   private:
1369 *   void setup_system();
1370 *   void assemble_rhs();
1371 *   void solve();
1372 *   void output_results(const unsigned int cycle) const;
1373 *  
1374 *   #ifdef DEAL_II_WITH_P4EST
1376 *   #else
1378 *   #endif
1379 *  
1380 *   const FE_Q<dim> fe;
1381 *   DoFHandler<dim> dof_handler;
1382 *  
1383 *   const MappingQ1<dim> mapping;
1384 *  
1385 *   AffineConstraints<double> constraints;
1386 *   using SystemMatrixType =
1387 *   LaplaceOperator<dim, degree_finite_element, double>;
1388 *   SystemMatrixType system_matrix;
1389 *  
1390 *   MGConstrainedDoFs mg_constrained_dofs;
1391 *   using LevelMatrixType = LaplaceOperator<dim, degree_finite_element, float>;
1392 *   MGLevelObject<LevelMatrixType> mg_matrices;
1393 *  
1396 *  
1397 *   double setup_time;
1398 *   ConditionalOStream pcout;
1399 *   ConditionalOStream time_details;
1400 *   };
1401 *  
1402 *  
1403 *  
1404 * @endcode
1405 *
1406 * When we initialize the finite element, we of course have to use the
1407 * degree specified at the top of the file as well (otherwise, an exception
1408 * will be thrown at some point, since the computational kernel defined in
1409 * the templated LaplaceOperator class and the information from the finite
1410 * element read out by MatrixFree will not match). The constructor of the
1411 * triangulation needs to set an additional flag that tells the grid to
1412 * conform to the 2:1 cell balance over vertices, which is needed for the
1413 * convergence of the geometric multigrid routines. For the distributed
1414 * grid, we also need to specifically enable the multigrid hierarchy.
1415 *
1416 * @code
1417 *   template <int dim>
1418 *   LaplaceProblem<dim>::LaplaceProblem()
1419 *   #ifdef DEAL_II_WITH_P4EST
1420 *   : triangulation(MPI_COMM_WORLD,
1423 *   dim>::construct_multigrid_hierarchy)
1424 *   #else
1426 *   #endif
1427 *   , fe(degree_finite_element)
1428 *   , dof_handler(triangulation)
1429 *   , setup_time(0.)
1430 *   , pcout(std::cout, Utilities::MPI::this_mpi_process(MPI_COMM_WORLD) == 0)
1431 * @endcode
1432 *
1433 * The LaplaceProblem class holds an additional output stream that
1434 * collects detailed timings about the setup phase. This stream, called
1435 * time_details, is disabled by default through the @p false argument
1436 * specified here. For detailed timings, removing the @p false argument
1437 * prints all the details.
1438 *
1439 * @code
1440 *   , time_details(std::cout,
1441 *   false &&
1442 *   Utilities::MPI::this_mpi_process(MPI_COMM_WORLD) == 0)
1443 *   {}
1444 *  
1445 *  
1446 *  
1447 * @endcode
1448 *
1449 *
1450 * <a name="step_37-LaplaceProblemsetup_system"></a>
1451 * <h4>LaplaceProblem::setup_system</h4>
1452 *
1453
1454 *
1455 * The setup stage is in analogy to @ref step_16 "step-16" with relevant changes due to the
1456 * LaplaceOperator class. The first thing to do is to set up the DoFHandler,
1457 * including the degrees of freedom for the multigrid levels, and to
1458 * initialize constraints from hanging nodes and homogeneous Dirichlet
1459 * conditions. Since we intend to use this programs in %parallel with MPI,
1460 * we need to make sure that the constraints get to know the locally
1461 * relevant degrees of freedom, otherwise the storage would explode when
1462 * using more than a few hundred millions of degrees of freedom, see
1463 * @ref step_40 "step-40".
1464 *
1465
1466 *
1467 * Once we have created the multigrid dof_handler and the constraints, we
1468 * can call the reinit function for the global matrix operator as well as
1469 * each level of the multigrid scheme. The main action is to set up the
1470 * <code> MatrixFree </code> instance for the problem. The base class of the
1471 * <code>LaplaceOperator</code> class, MatrixFreeOperators::Base, is
1472 * initialized with a shared pointer to MatrixFree object. This way, we can
1473 * simply create it here and then pass it on to the system matrix and level
1474 * matrices, respectively. For setting up MatrixFree, we need to activate
1475 * the update flag in the AdditionalData field of MatrixFree that enables
1476 * the storage of quadrature point coordinates in real space (by default, it
1477 * only caches data for gradients (inverse transposed Jacobians) and JxW
1478 * values). Note that if we call the reinit function without specifying the
1479 * level (i.e., giving <code>level = numbers::invalid_unsigned_int</code>),
1480 * MatrixFree constructs a loop over the active cells. In this tutorial, we
1481 * do not use threads in addition to MPI, which is why we explicitly disable
1483 * MatrixFree::AdditionalData::none. Finally, the coefficient is evaluated
1484 * and vectors are initialized as explained above.
1485 *
1486 * @code
1487 *   template <int dim>
1488 *   void LaplaceProblem<dim>::setup_system()
1489 *   {
1490 *   Timer time;
1491 *   setup_time = 0;
1492 *   {
1493 *   system_matrix.clear();
1494 *   mg_matrices.clear_elements();
1495 *  
1496 *   dof_handler.distribute_dofs(fe);
1497 *   dof_handler.distribute_mg_dofs();
1498 *  
1499 *   pcout << "Number of degrees of freedom: " << dof_handler.n_dofs()
1500 *   << std::endl;
1501 *  
1502 *   constraints.clear();
1503 *   constraints.reinit(dof_handler.locally_owned_dofs(),
1504 *   DoFTools::extract_locally_relevant_dofs(dof_handler));
1505 *   DoFTools::make_hanging_node_constraints(dof_handler, constraints);
1507 *   mapping, dof_handler, 0, Functions::ZeroFunction<dim>(), constraints);
1508 *   constraints.close();
1509 *   }
1510 *   setup_time += time.wall_time();
1511 *   time_details << "Distribute DoFs & B.C. (CPU/wall) " << time.cpu_time()
1512 *   << "s/" << time.wall_time() << 's' << std::endl;
1513 *   time.restart();
1514 *   {
1515 *   {
1516 *   typename MatrixFree<dim, double>::AdditionalData additional_data;
1517 *   additional_data.tasks_parallel_scheme =
1519 *   additional_data.mapping_update_flags =
1521 *   std::shared_ptr<MatrixFree<dim, double>> system_mf_storage(
1522 *   new MatrixFree<dim, double>());
1523 *   system_mf_storage->reinit(mapping,
1524 *   dof_handler,
1525 *   constraints,
1526 *   QGauss<1>(fe.degree + 1),
1527 *   additional_data);
1528 *   system_matrix.initialize(system_mf_storage);
1529 *   }
1530 *  
1531 *   system_matrix.evaluate_coefficient(Coefficient<dim>());
1532 *  
1533 *   system_matrix.initialize_dof_vector(solution);
1534 *   system_matrix.initialize_dof_vector(system_rhs);
1535 *   }
1536 *   setup_time += time.wall_time();
1537 *   time_details << "Setup matrix-free system (CPU/wall) " << time.cpu_time()
1538 *   << "s/" << time.wall_time() << 's' << std::endl;
1539 *   time.restart();
1540 *  
1541 * @endcode
1542 *
1543 * Next, initialize the matrices for the multigrid method on all the
1544 * levels. The data structure MGConstrainedDoFs keeps information about
1545 * the indices subject to boundary conditions as well as the indices on
1546 * edges between different refinement levels as described in the @ref step_16 "step-16"
1547 * tutorial program. We then go through the levels of the mesh and
1548 * construct the constraints and matrices on each level. These follow
1549 * closely the construction of the system matrix on the original mesh,
1550 * except the slight difference in naming when accessing information on
1551 * the levels rather than the active cells.
1552 *
1553 * @code
1554 *   {
1555 *   const unsigned int nlevels = triangulation.n_global_levels();
1556 *   mg_matrices.resize(0, nlevels - 1);
1557 *  
1558 *   const std::set<types::boundary_id> dirichlet_boundary_ids = {0};
1559 *   mg_constrained_dofs.initialize(dof_handler);
1560 *   mg_constrained_dofs.make_zero_boundary_constraints(
1561 *   dof_handler, dirichlet_boundary_ids);
1562 *  
1563 *   for (unsigned int level = 0; level < nlevels; ++level)
1564 *   {
1565 *   AffineConstraints<double> level_constraints(
1566 *   dof_handler.locally_owned_mg_dofs(level),
1568 *   for (const types::global_dof_index dof_index :
1569 *   mg_constrained_dofs.get_boundary_indices(level))
1570 *   level_constraints.constrain_dof_to_zero(dof_index);
1571 *   level_constraints.close();
1572 *  
1573 *   typename MatrixFree<dim, float>::AdditionalData additional_data;
1574 *   additional_data.tasks_parallel_scheme =
1576 *   additional_data.mapping_update_flags =
1578 *   additional_data.mg_level = level;
1579 *   std::shared_ptr<MatrixFree<dim, float>> mg_mf_storage_level =
1580 *   std::make_shared<MatrixFree<dim, float>>();
1581 *   mg_mf_storage_level->reinit(mapping,
1582 *   dof_handler,
1583 *   level_constraints,
1584 *   QGauss<1>(fe.degree + 1),
1585 *   additional_data);
1586 *  
1587 *   mg_matrices[level].initialize(mg_mf_storage_level,
1588 *   mg_constrained_dofs,
1589 *   level);
1590 *   mg_matrices[level].evaluate_coefficient(Coefficient<dim>());
1591 *   }
1592 *   }
1593 *   setup_time += time.wall_time();
1594 *   time_details << "Setup matrix-free levels (CPU/wall) " << time.cpu_time()
1595 *   << "s/" << time.wall_time() << 's' << std::endl;
1596 *   }
1597 *  
1598 *  
1599 *  
1600 * @endcode
1601 *
1602 *
1603 * <a name="step_37-LaplaceProblemassemble_rhs"></a>
1604 * <h4>LaplaceProblem::assemble_rhs</h4>
1605 *
1606
1607 *
1608 * The assemble function is very simple since all we have to do is to
1609 * assemble the right hand side. Thanks to FEEvaluation and all the data
1610 * cached in the MatrixFree class, which we query from
1611 * MatrixFreeOperators::Base, this can be done in a few lines. Since this
1612 * call is not wrapped into a MatrixFree::cell_loop (which would be an
1613 * alternative), we must not forget to call compress() at the end of the
1614 * assembly to send all the contributions of the right hand side to the
1615 * owner of the respective degree of freedom.
1616 *
1617 * @code
1618 *   template <int dim>
1619 *   void LaplaceProblem<dim>::assemble_rhs()
1620 *   {
1621 *   Timer time;
1622 *  
1623 *   system_rhs = 0;
1625 *   *system_matrix.get_matrix_free());
1626 *   for (unsigned int cell = 0;
1627 *   cell < system_matrix.get_matrix_free()->n_cell_batches();
1628 *   ++cell)
1629 *   {
1630 *   phi.reinit(cell);
1631 *   for (const unsigned int q : phi.quadrature_point_indices())
1632 *   phi.submit_value(make_vectorized_array<double>(1.0), q);
1633 *   phi.integrate(EvaluationFlags::values);
1634 *   phi.distribute_local_to_global(system_rhs);
1635 *   }
1636 *   system_rhs.compress(VectorOperation::add);
1637 *  
1638 *   setup_time += time.wall_time();
1639 *   time_details << "Assemble right hand side (CPU/wall) " << time.cpu_time()
1640 *   << "s/" << time.wall_time() << 's' << std::endl;
1641 *   }
1642 *  
1643 *  
1644 *  
1645 * @endcode
1646 *
1647 *
1648 * <a name="step_37-LaplaceProblemsolve"></a>
1649 * <h4>LaplaceProblem::solve</h4>
1650 *
1651
1652 *
1653 * The solution process is similar as in @ref step_16 "step-16". We start with the setup of
1654 * the transfer. For LinearAlgebra::distributed::Vector, there is a very
1655 * fast transfer class called MGTransferMatrixFree that does the
1656 * interpolation between the grid levels with the same fast sum
1657 * factorization kernels that get also used in FEEvaluation.
1658 *
1659 * @code
1660 *   template <int dim>
1661 *   void LaplaceProblem<dim>::solve()
1662 *   {
1663 *   Timer time;
1664 *   MGTransferMatrixFree<dim, float> mg_transfer(mg_constrained_dofs);
1665 *   mg_transfer.build(dof_handler);
1666 *   setup_time += time.wall_time();
1667 *   time_details << "MG build transfer time (CPU/wall) " << time.cpu_time()
1668 *   << "s/" << time.wall_time() << "s\n";
1669 *   time.restart();
1670 *  
1671 * @endcode
1672 *
1673 * As a smoother, this tutorial program uses a Chebyshev iteration instead
1674 * of SOR in @ref step_16 "step-16". (SOR would be very difficult to implement because we
1675 * do not have the matrix elements available explicitly, and it is
1676 * difficult to make it work efficiently in %parallel.) The smoother is
1677 * initialized with our level matrices and the mandatory additional data
1678 * for the Chebyshev smoother. We use a relatively high degree here (5),
1679 * since matrix-vector products are comparably cheap. We choose to smooth
1680 * out a range of @f$[1.2 \hat{\lambda}_{\max}/15,1.2 \hat{\lambda}_{\max}]@f$
1681 * in the smoother where @f$\hat{\lambda}_{\max}@f$ is an estimate of the
1682 * largest eigenvalue (the factor 1.2 is applied inside
1683 * PreconditionChebyshev). In order to compute that eigenvalue, the
1684 * Chebyshev initialization performs a few steps of a CG algorithm
1685 * without preconditioner. Since the highest eigenvalue is usually the
1686 * easiest one to find and a rough estimate is enough, we choose 10
1687 * iterations. Finally, we also set the inner preconditioner type in the
1688 * Chebyshev method which is a Jacobi iteration. This is represented by
1689 * the DiagonalMatrix class that gets the inverse diagonal entry provided
1690 * by our LaplaceOperator class.
1691 *
1692
1693 *
1694 * On level zero, we initialize the smoother differently because we want
1695 * to use the Chebyshev iteration as a solver. PreconditionChebyshev
1696 * allows the user to switch to solver mode where the number of iterations
1697 * is internally chosen to the correct value. In the additional data
1698 * object, this setting is activated by choosing the polynomial degree to
1699 * @p numbers::invalid_unsigned_int. The algorithm will then attack all
1700 * eigenvalues between the smallest and largest one in the coarse level
1701 * matrix. The number of steps in the Chebyshev smoother are chosen such
1702 * that the Chebyshev convergence estimates guarantee to reduce the
1703 * residual by the number specified in the variable @p
1704 * smoothing_range. Note that for solving, @p smoothing_range is a
1705 * relative tolerance and chosen smaller than one, in this case, we select
1706 * three orders of magnitude, whereas it is a number larger than 1 when
1707 * only selected eigenvalues are smoothed.
1708 *
1709
1710 *
1711 * From a computational point of view, the Chebyshev iteration is a very
1712 * attractive coarse grid solver as long as the coarse size is
1713 * moderate. This is because the Chebyshev method performs only
1714 * matrix-vector products and vector updates, which typically parallelize
1715 * better to the largest cluster size with more than a few tens of
1716 * thousands of cores than inner product involved in other iterative
1717 * methods. The former involves only local communication between neighbors
1718 * in the (coarse) mesh, whereas the latter requires global communication
1719 * over all processors.
1720 *
1721 * @code
1722 *   using SmootherType =
1723 *   PreconditionChebyshev<LevelMatrixType,
1725 *   mg::SmootherRelaxation<SmootherType,
1727 *   mg_smoother;
1729 *   smoother_data.resize(0, triangulation.n_global_levels() - 1);
1730 *   for (unsigned int level = 0; level < triangulation.n_global_levels();
1731 *   ++level)
1732 *   {
1733 *   if (level > 0)
1734 *   {
1735 *   smoother_data[level].smoothing_range = 15.;
1736 *   smoother_data[level].degree = 5;
1737 *   smoother_data[level].eig_cg_n_iterations = 10;
1738 *   }
1739 *   else
1740 *   {
1741 *   smoother_data[0].smoothing_range = 1e-3;
1742 *   smoother_data[0].degree = numbers::invalid_unsigned_int;
1743 *   smoother_data[0].eig_cg_n_iterations = mg_matrices[0].m();
1744 *   }
1745 *   mg_matrices[level].compute_diagonal();
1746 *   smoother_data[level].preconditioner =
1747 *   mg_matrices[level].get_matrix_diagonal_inverse();
1748 *   }
1749 *   mg_smoother.initialize(mg_matrices, smoother_data);
1750 *  
1752 *   mg_coarse;
1753 *   mg_coarse.initialize(mg_smoother);
1754 *  
1755 * @endcode
1756 *
1757 * The next step is to set up the interface matrices that are needed for the
1758 * case with hanging nodes. The adaptive multigrid realization in deal.II
1759 * implements an approach called local smoothing. This means that the
1760 * smoothing on the finest level only covers the local part of the mesh
1761 * defined by the fixed (finest) grid level and ignores parts of the
1762 * computational domain where the terminal cells are coarser than this
1763 * level. As the method progresses to coarser levels, more and more of the
1764 * global mesh will be covered. At some coarser level, the whole mesh will
1765 * be covered. Since all level matrices in the multigrid method cover a
1766 * single level in the mesh, no hanging nodes appear on the level matrices.
1767 * At the interface between multigrid levels, homogeneous Dirichlet boundary
1768 * conditions are set while smoothing. When the residual is transferred to
1769 * the next coarser level, however, the coupling over the multigrid
1770 * interface needs to be taken into account. This is done by the so-called
1771 * interface (or edge) matrices that compute the part of the residual that
1772 * is missed by the level matrix with
1773 * homogeneous Dirichlet conditions. We refer to the @ref mg_paper
1774 * "Multigrid paper by Janssen and Kanschat" for more details.
1775 *
1776
1777 *
1778 * For the implementation of those interface matrices, there is already a
1779 * pre-defined class MatrixFreeOperators::MGInterfaceOperator that wraps
1781 * MatrixFreeOperators::Base::vmult_interface_up() in a new class with @p
1782 * vmult() and @p Tvmult() operations (that were originally written for
1783 * matrices, hence expecting those names). Note that vmult_interface_down
1784 * is used during the restriction phase of the multigrid V-cycle, whereas
1785 * vmult_interface_up is used during the prolongation phase.
1786 *
1787
1788 *
1789 * Once the interface matrix is created, we set up the remaining Multigrid
1790 * preconditioner infrastructure in complete analogy to @ref step_16 "step-16" to obtain
1791 * a @p preconditioner object that can be applied to a matrix.
1792 *
1793 * @code
1794 *   mg::Matrix<LinearAlgebra::distributed::Vector<float>> mg_matrix(
1795 *   mg_matrices);
1796 *  
1797 *   MGLevelObject<MatrixFreeOperators::MGInterfaceOperator<LevelMatrixType>>
1798 *   mg_interface_matrices;
1799 *   mg_interface_matrices.resize(0, triangulation.n_global_levels() - 1);
1800 *   for (unsigned int level = 0; level < triangulation.n_global_levels();
1801 *   ++level)
1802 *   mg_interface_matrices[level].initialize(mg_matrices[level]);
1803 *   mg::Matrix<LinearAlgebra::distributed::Vector<float>> mg_interface(
1804 *   mg_interface_matrices);
1805 *  
1806 *   Multigrid<LinearAlgebra::distributed::Vector<float>> mg(
1807 *   mg_matrix, mg_coarse, mg_transfer, mg_smoother, mg_smoother);
1808 *   mg.set_edge_matrices(mg_interface, mg_interface);
1809 *  
1810 *   PreconditionMG<dim,
1811 *   LinearAlgebra::distributed::Vector<float>,
1812 *   MGTransferMatrixFree<dim, float>>
1813 *   preconditioner(dof_handler, mg, mg_transfer);
1814 *  
1815 * @endcode
1816 *
1817 * The setup of the multigrid routines is quite easy and one cannot see
1818 * any difference in the solve process as compared to @ref step_16 "step-16". All the
1819 * magic is hidden behind the implementation of the LaplaceOperator::vmult
1820 * operation. Note that we print out the solve time and the accumulated
1821 * setup time through standard out, i.e., in any case, whereas detailed
1822 * times for the setup operations are only printed in case the flag for
1823 * detail_times in the constructor is changed.
1824 *
1825
1826 *
1827 *
1828 * @code
1829 *   SolverControl solver_control(100, 1e-12 * system_rhs.l2_norm());
1830 *   SolverCG<LinearAlgebra::distributed::Vector<double>> cg(solver_control);
1831 *   setup_time += time.wall_time();
1832 *   time_details << "MG build smoother time (CPU/wall) " << time.cpu_time()
1833 *   << "s/" << time.wall_time() << "s\n";
1834 *   pcout << "Total setup time (wall) " << setup_time << "s\n";
1835 *  
1836 *   time.reset();
1837 *   time.start();
1838 *   constraints.set_zero(solution);
1839 *   cg.solve(system_matrix, solution, system_rhs, preconditioner);
1840 *  
1841 *   constraints.distribute(solution);
1842 *  
1843 *   pcout << "Time solve (" << solver_control.last_step() << " iterations)"
1844 *   << (solver_control.last_step() < 10 ? " " : " ") << "(CPU/wall) "
1845 *   << time.cpu_time() << "s/" << time.wall_time() << "s\n";
1846 *   }
1847 *  
1848 *  
1849 *  
1850 * @endcode
1851 *
1852 *
1853 * <a name="step_37-LaplaceProblemoutput_results"></a>
1854 * <h4>LaplaceProblem::output_results</h4>
1855 *
1856
1857 *
1858 * Here is the data output, which is a simplified version of @ref step_5 "step-5". We use
1859 * the standard VTU (= compressed VTK) output for each grid produced in the
1860 * refinement process. In addition, we use a compression algorithm that is
1861 * optimized for speed rather than disk usage. The default setting (which
1862 * optimizes for disk usage) makes saving the output take about 4 times as
1863 * long as running the linear solver, while setting
1864 * DataOutBase::CompressionLevel to
1865 * best_speed lowers this to only one fourth the time
1866 * of the linear solve.
1867 *
1868
1869 *
1870 * We disable the output when the mesh gets too large. A variant of this
1871 * program has been run on hundreds of thousands MPI ranks with as many as
1872 * 100 billion grid cells, which is not directly accessible to classical
1873 * visualization tools.
1874 *
1875 * @code
1876 *   template <int dim>
1877 *   void LaplaceProblem<dim>::output_results(const unsigned int cycle) const
1878 *   {
1879 *   Timer time;
1880 *   if (triangulation.n_global_active_cells() > 1000000)
1881 *   return;
1882 *  
1883 *   DataOut<dim> data_out;
1884 *  
1885 *   solution.update_ghost_values();
1886 *   data_out.attach_dof_handler(dof_handler);
1887 *   data_out.add_data_vector(solution, "solution");
1888 *   data_out.build_patches(mapping);
1889 *  
1890 *   DataOutBase::VtkFlags flags;
1892 *   data_out.set_flags(flags);
1893 *   data_out.write_vtu_with_pvtu_record(
1894 *   "./", "solution", cycle, MPI_COMM_WORLD, 3);
1895 *  
1896 *   time_details << "Time write output (CPU/wall) " << time.cpu_time()
1897 *   << "s/" << time.wall_time() << "s\n";
1898 *   }
1899 *  
1900 *  
1901 *  
1902 * @endcode
1903 *
1904 *
1905 * <a name="step_37-LaplaceProblemrun"></a>
1906 * <h4>LaplaceProblem::run</h4>
1907 *
1908
1909 *
1910 * The function that runs the program is very similar to the one in
1911 * @ref step_16 "step-16". We do few refinement steps in 3d compared to 2d, but that's
1912 * it.
1913 *
1914
1915 *
1916 * Before we run the program, we output some information about the detected
1917 * vectorization level as discussed in the introduction.
1918 *
1919 * @code
1920 *   template <int dim>
1921 *   void LaplaceProblem<dim>::run()
1922 *   {
1923 *   {
1924 *   const unsigned int n_vect_doubles = VectorizedArray<double>::size();
1925 *   const unsigned int n_vect_bits = 8 * sizeof(double) * n_vect_doubles;
1926 *  
1927 *   pcout << "Vectorization over " << n_vect_doubles
1928 *   << " doubles = " << n_vect_bits << " bits ("
1929 *   << Utilities::System::get_current_vectorization_level() << ')'
1930 *   << std::endl;
1931 *   }
1932 *  
1933 *   for (unsigned int cycle = 0; cycle < 9 - dim; ++cycle)
1934 *   {
1935 *   pcout << "Cycle " << cycle << std::endl;
1936 *  
1937 *   if (cycle == 0)
1938 *   {
1939 *   GridGenerator::hyper_cube(triangulation, 0., 1.);
1940 *   triangulation.refine_global(3 - dim);
1941 *   }
1942 *   triangulation.refine_global(1);
1943 *   setup_system();
1944 *   assemble_rhs();
1945 *   solve();
1946 *   output_results(cycle);
1947 *   pcout << std::endl;
1948 *   };
1949 *   }
1950 *   } // namespace Step37
1951 *  
1952 *  
1953 *  
1954 * @endcode
1955 *
1956 *
1957 * <a name="step_37-Thecodemaincodefunction"></a>
1958 * <h3>The <code>main</code> function</h3>
1959 *
1960
1961 *
1962 * Apart from the fact that we set up the MPI framework according to @ref step_40 "step-40",
1963 * there are no surprises in the main function.
1964 *
1965 * @code
1966 *   int main(int argc, char *argv[])
1967 *   {
1968 *   try
1969 *   {
1970 *   using namespace Step37;
1971 *  
1972 *   Utilities::MPI::MPI_InitFinalize mpi_init(argc, argv, 1);
1973 *  
1974 *   LaplaceProblem<dimension> laplace_problem;
1975 *   laplace_problem.run();
1976 *   }
1977 *   catch (std::exception &exc)
1978 *   {
1979 *   std::cerr << std::endl
1980 *   << std::endl
1981 *   << "----------------------------------------------------"
1982 *   << std::endl;
1983 *   std::cerr << "Exception on processing: " << std::endl
1984 *   << exc.what() << std::endl
1985 *   << "Aborting!" << std::endl
1986 *   << "----------------------------------------------------"
1987 *   << std::endl;
1988 *   return 1;
1989 *   }
1990 *   catch (...)
1991 *   {
1992 *   std::cerr << std::endl
1993 *   << std::endl
1994 *   << "----------------------------------------------------"
1995 *   << std::endl;
1996 *   std::cerr << "Unknown exception!" << std::endl
1997 *   << "Aborting!" << std::endl
1998 *   << "----------------------------------------------------"
1999 *   << std::endl;
2000 *   return 1;
2001 *   }
2002 *  
2003 *   return 0;
2004 *   }
2005 * @endcode
2006<a name="step_37-Results"></a><h1>Results</h1>
2007
2008
2009<a name="step_37-Programoutput"></a><h3>Program output</h3>
2010
2011
2012Since this example solves the same problem as @ref step_5 "step-5" (except for
2013a different coefficient), there is little to say about the
2014solution. We show a picture anyway, illustrating the size of the
2015solution through both isocontours and volume rendering:
2016
2017<img src="https://www.dealii.org/images/steps/developer/step-37.solution.png" alt="">
2018
2019Of more interest is to evaluate some aspects of the multigrid solver.
2020When we run this program in 2D for quadratic (@f$Q_2@f$) elements, we get the
2021following output (when run on one core in release mode):
2022@code
2023Vectorization over 2 doubles = 128 bits (SSE2)
2024Cycle 0
2025Number of degrees of freedom: 81
2026Total setup time (wall) 0.00159788s
2027Time solve (6 iterations) (CPU/wall) 0.000951s/0.000951052s
2028
2029Cycle 1
2030Number of degrees of freedom: 289
2031Total setup time (wall) 0.00114608s
2032Time solve (6 iterations) (CPU/wall) 0.000935s/0.000934839s
2033
2034Cycle 2
2035Number of degrees of freedom: 1089
2036Total setup time (wall) 0.00244665s
2037Time solve (6 iterations) (CPU/wall) 0.00207s/0.002069s
2038
2039Cycle 3
2040Number of degrees of freedom: 4225
2041Total setup time (wall) 0.00678205s
2042Time solve (6 iterations) (CPU/wall) 0.005616s/0.00561595s
2043
2044Cycle 4
2045Number of degrees of freedom: 16641
2046Total setup time (wall) 0.0241671s
2047Time solve (6 iterations) (CPU/wall) 0.019543s/0.0195441s
2048
2049Cycle 5
2050Number of degrees of freedom: 66049
2051Total setup time (wall) 0.0967851s
2052Time solve (6 iterations) (CPU/wall) 0.07457s/0.0745709s
2053
2054Cycle 6
2055Number of degrees of freedom: 263169
2056Total setup time (wall) 0.346374s
2057Time solve (6 iterations) (CPU/wall) 0.260042s/0.265033s
2058@endcode
2059
2060As in @ref step_16 "step-16", we see that the number of CG iterations remains constant with
2061increasing number of degrees of freedom. A constant number of iterations
2062(together with optimal computational properties) means that the computing time
2063approximately quadruples as the problem size quadruples from one cycle to the
2064next. The code is also very efficient in terms of storage. Around 2-4 million
2065degrees of freedom fit into 1 GB of memory, see also the MPI results below. An
2066interesting fact is that solving one linear system is cheaper than the setup,
2067despite not building a matrix (approximately half of which is spent in the
2068DoFHandler::distribute_dofs() and DoFHandler::distribute_mg_dofs()
2069calls). This shows the high efficiency of this approach, but also that the
2070deal.II data structures are quite expensive to set up and the setup cost must
2071be amortized over several system solves.
2072
2073Not much changes if we run the program in three spatial dimensions. Since we
2074use uniform mesh refinement, we get eight times as many elements and
2075approximately eight times as many degrees of freedom with each cycle:
2076
2077@code
2078Vectorization over 2 doubles = 128 bits (SSE2)
2079Cycle 0
2080Number of degrees of freedom: 125
2081Total setup time (wall) 0.00231099s
2082Time solve (6 iterations) (CPU/wall) 0.000692s/0.000922918s
2083
2084Cycle 1
2085Number of degrees of freedom: 729
2086Total setup time (wall) 0.00289083s
2087Time solve (6 iterations) (CPU/wall) 0.001534s/0.0024128s
2088
2089Cycle 2
2090Number of degrees of freedom: 4913
2091Total setup time (wall) 0.0143182s
2092Time solve (6 iterations) (CPU/wall) 0.010785s/0.0107841s
2093
2094Cycle 3
2095Number of degrees of freedom: 35937
2096Total setup time (wall) 0.087064s
2097Time solve (6 iterations) (CPU/wall) 0.063522s/0.06545s
2098
2099Cycle 4
2100Number of degrees of freedom: 274625
2101Total setup time (wall) 0.596306s
2102Time solve (6 iterations) (CPU/wall) 0.427757s/0.431765s
2103
2104Cycle 5
2105Number of degrees of freedom: 2146689
2106Total setup time (wall) 4.96491s
2107Time solve (6 iterations) (CPU/wall) 3.53126s/3.56142s
2108@endcode
2109
2110Since it is so easy, we look at what happens if we increase the polynomial
2111degree. When selecting the degree as four in 3D, i.e., on @f$\mathcal Q_4@f$
2112elements, by changing the line <code>const unsigned int
2113degree_finite_element=4;</code> at the top of the program, we get the
2114following program output:
2115
2116@code
2117Vectorization over 2 doubles = 128 bits (SSE2)
2118Cycle 0
2119Number of degrees of freedom: 729
2120Total setup time (wall) 0.00633097s
2121Time solve (6 iterations) (CPU/wall) 0.002829s/0.00379395s
2122
2123Cycle 1
2124Number of degrees of freedom: 4913
2125Total setup time (wall) 0.0174279s
2126Time solve (6 iterations) (CPU/wall) 0.012255s/0.012254s
2127
2128Cycle 2
2129Number of degrees of freedom: 35937
2130Total setup time (wall) 0.082655s
2131Time solve (6 iterations) (CPU/wall) 0.052362s/0.0523629s
2132
2133Cycle 3
2134Number of degrees of freedom: 274625
2135Total setup time (wall) 0.507943s
2136Time solve (6 iterations) (CPU/wall) 0.341811s/0.345788s
2137
2138Cycle 4
2139Number of degrees of freedom: 2146689
2140Total setup time (wall) 3.46251s
2141Time solve (7 iterations) (CPU/wall) 3.29638s/3.3265s
2142
2143Cycle 5
2144Number of degrees of freedom: 16974593
2145Total setup time (wall) 27.8989s
2146Time solve (7 iterations) (CPU/wall) 26.3705s/27.1077s
2147@endcode
2148
2149Since @f$\mathcal Q_4@f$ elements on a certain mesh correspond to @f$\mathcal Q_2@f$
2150elements on half the mesh size, we can compare the run time at cycle 4 with
2151fourth degree polynomials with cycle 5 using quadratic polynomials, both at
21522.1 million degrees of freedom. The surprising effect is that the solver for
2153@f$\mathcal Q_4@f$ element is actually slightly faster than for the quadratic
2154case, despite using one more linear iteration. The effect that higher-degree
2155polynomials are similarly fast or even faster than lower degree ones is one of
2156the main strengths of matrix-free operator evaluation through sum
2157factorization, see the <a
2158href="http://dx.doi.org/10.1016/j.compfluid.2012.04.012">matrix-free
2159paper</a>. This is fundamentally different to matrix-based methods that get
2160more expensive per unknown as the polynomial degree increases and the coupling
2161gets denser.
2162
2163In addition, also the setup gets a bit cheaper for higher order, which is
2164because fewer elements need to be set up.
2165
2166Finally, let us look at the timings with degree 8, which corresponds to
2167another round of mesh refinement in the lower order methods:
2168
2169@code
2170Vectorization over 2 doubles = 128 bits (SSE2)
2171Cycle 0
2172Number of degrees of freedom: 4913
2173Total setup time (wall) 0.0842004s
2174Time solve (8 iterations) (CPU/wall) 0.019296s/0.0192959s
2175
2176Cycle 1
2177Number of degrees of freedom: 35937
2178Total setup time (wall) 0.327048s
2179Time solve (8 iterations) (CPU/wall) 0.07517s/0.075999s
2180
2181Cycle 2
2182Number of degrees of freedom: 274625
2183Total setup time (wall) 2.12335s
2184Time solve (8 iterations) (CPU/wall) 0.448739s/0.453698s
2185
2186Cycle 3
2187Number of degrees of freedom: 2146689
2188Total setup time (wall) 16.1743s
2189Time solve (8 iterations) (CPU/wall) 3.95003s/3.97717s
2190
2191Cycle 4
2192Number of degrees of freedom: 16974593
2193Total setup time (wall) 130.8s
2194Time solve (8 iterations) (CPU/wall) 31.0316s/31.767s
2195@endcode
2196
2197Here, the initialization seems considerably slower than before, which is
2198mainly due to the computation of the diagonal of the matrix, which actually
2199computes a 729 x 729 matrix on each cell and throws away everything but the
2200diagonal. The solver times, however, are again very close to the quartic case,
2201showing that the linear increase with the polynomial degree that is
2202theoretically expected is almost completely offset by better computational
2203characteristics and the fact that higher order methods have a smaller share of
2204degrees of freedom living on several cells that add to the evaluation
2205complexity.
2206
2207<a name="step_37-Comparisonwithasparsematrix"></a><h3>Comparison with a sparse matrix</h3>
2208
2209
2210In order to understand the capabilities of the matrix-free implementation, we
2211compare the performance of the 3d example above with a sparse matrix
2212implementation based on TrilinosWrappers::SparseMatrix by measuring both the
2213computation times for the initialization of the problem (distribute DoFs,
2214setup and assemble matrices, setup multigrid structures) and the actual
2215solution for the matrix-free variant and the variant based on sparse
2216matrices. We base the preconditioner on float numbers and the actual matrix
2217and vectors on double numbers, as shown above. Tests are run on an Intel Core
2218i7-5500U notebook processor (two cores and <a
2219href="http://en.wikipedia.org/wiki/Advanced_Vector_Extensions">AVX</a>
2220support, i.e., four operations on doubles can be done with one CPU
2221instruction, which is heavily used in FEEvaluation), optimized mode, and two
2222MPI ranks.
2223
2224<table align="center" class="doxtable">
2225 <tr>
2226 <th>&nbsp;</th>
2227 <th colspan="2">Sparse matrix</th>
2228 <th colspan="2">Matrix-free implementation</th>
2229 </tr>
2230 <tr>
2231 <th>n_dofs</th>
2232 <th>Setup + assemble</th>
2233 <th>&nbsp;Solve&nbsp;</th>
2234 <th>Setup + assemble</th>
2235 <th>&nbsp;Solve&nbsp;</th>
2236 </tr>
2237 <tr>
2238 <td align="right">125</td>
2239 <td align="center">0.0042s</td>
2240 <td align="center">0.0012s</td>
2241 <td align="center">0.0022s</td>
2242 <td align="center">0.00095s</td>
2243 </tr>
2244 <tr>
2245 <td align="right">729</td>
2246 <td align="center">0.012s</td>
2247 <td align="center">0.0040s</td>
2248 <td align="center">0.0027s</td>
2249 <td align="center">0.0021s</td>
2250 </tr>
2251 <tr>
2252 <td align="right">4,913</td>
2253 <td align="center">0.082s</td>
2254 <td align="center">0.012s</td>
2255 <td align="center">0.011s</td>
2256 <td align="center">0.0057s</td>
2257 </tr>
2258 <tr>
2259 <td align="right">35,937</td>
2260 <td align="center">0.73s</td>
2261 <td align="center">0.13s</td>
2262 <td align="center">0.048s</td>
2263 <td align="center">0.040s</td>
2264 </tr>
2265 <tr>
2266 <td align="right">274,625</td>
2267 <td align="center">5.43s</td>
2268 <td align="center">1.01s</td>
2269 <td align="center">0.33s</td>
2270 <td align="center">0.25s</td>
2271 </tr>
2272 <tr>
2273 <td align="right">2,146,689</td>
2274 <td align="center">43.8s</td>
2275 <td align="center">8.24s</td>
2276 <td align="center">2.42s</td>
2277 <td align="center">2.06s</td>
2278 </tr>
2279</table>
2280
2281The table clearly shows that the matrix-free implementation is more than twice
2282as fast for the solver, and more than six times as fast when it comes to
2283initialization costs. As the problem size is made a factor 8 larger, we note
2284that the times usually go up by a factor eight, too (as the solver iterations
2285are constant at six). The main deviation is in the sparse matrix between 5k
2286and 36k degrees of freedom, where the time increases by a factor 12. This is
2287the threshold where the (L3) cache in the processor can no longer hold all
2288data necessary for the matrix-vector products and all matrix elements must be
2289fetched from main memory.
2290
2291Of course, this picture does not necessarily translate to all cases, as there
2292are problems where knowledge of matrix entries enables much better solvers (as
2293happens when the coefficient is varying more strongly than in the above
2294example). Moreover, it also depends on the computer system. The present system
2295has good memory performance, so sparse matrices perform comparably
2296well. Nonetheless, the matrix-free implementation gives a nice speedup already
2297for the <i>Q</i><sub>2</sub> elements used in this example. This becomes
2298particularly apparent for time-dependent or nonlinear problems where sparse
2299matrices would need to be reassembled over and over again, which becomes much
2300easier with this class. And of course, thanks to the better complexity of the
2301products, the method gains increasingly larger advantages when the order of the
2302elements increases (the matrix-free implementation has costs
23034<i>d</i><sup>2</sup><i>p</i> per degree of freedom, compared to
23042<i>p<sup>d</sup></i> for the sparse matrix, so it will win anyway for order 4
2305and higher in 3d).
2306
2307<a name="step_37-ResultsforlargescaleparallelcomputationsonSuperMUC"></a><h3> Results for large-scale parallel computations on SuperMUC</h3>
2308
2309
2310As explained in the introduction and the in-code comments, this program can be
2311run in parallel with MPI. It turns out that geometric multigrid schemes work
2312really well and can scale to very large machines. To the authors' knowledge,
2313the geometric multigrid results shown here are the largest computations done
2314with deal.II as of late 2016, run on up to 147,456 cores of the <a
2315href="https://www.lrz.de/services/compute/supermuc/systemdescription/">complete
2316SuperMUC Phase 1</a>. The ingredients for scalability beyond 1000 cores are
2317that no data structure that depends on the global problem size is held in its
2318entirety on a single processor and that the communication is not too frequent
2319in order not to run into latency issues of the network. For PDEs solved with
2320iterative solvers, the communication latency is often the limiting factor,
2321rather than the throughput of the network. For the example of the SuperMUC
2322system, the point-to-point latency between two processors is between 1e-6 and
23231e-5 seconds, depending on the proximity in the MPI network. The matrix-vector
2324products with @p LaplaceOperator from this class involves several
2325point-to-point communication steps, interleaved with computations on each
2326core. The resulting latency of a matrix-vector product is around 1e-4
2327seconds. Global communication, for example an @p MPI_Allreduce operation that
2328accumulates the sum of a single number per rank over all ranks in the MPI
2329network, has a latency of 1e-4 seconds. The multigrid V-cycle used in this
2330program is also a form of global communication. Think about the coarse grid
2331solve that happens on a single processor: It accumulates the contributions
2332from all processors before it starts. When completed, the coarse grid solution
2333is transferred to finer levels, where more and more processors help in
2334smoothing until the fine grid. Essentially, this is a tree-like pattern over
2335the processors in the network and controlled by the mesh. As opposed to the
2336@p MPI_Allreduce operations where the tree in the reduction is optimized to the
2337actual links in the MPI network, the multigrid V-cycle does this according to
2338the partitioning of the mesh. Thus, we cannot expect the same
2339optimality. Furthermore, the multigrid cycle is not simply a walk up and down
2340the refinement tree, but also communication on each level when doing the
2341smoothing. In other words, the global communication in multigrid is more
2342challenging and related to the mesh that provides less optimization
2343opportunities. The measured latency of the V-cycle is between 6e-3 and 2e-2
2344seconds, i.e., the same as 60 to 200 MPI_Allreduce operations.
2345
2346The following figure shows a scaling experiments on @f$\mathcal Q_3@f$
2347elements. Along the lines, the problem size is held constant as the number of
2348cores is increasing. When doubling the number of cores, one expects a halving
2349of the computational time, indicated by the dotted gray lines. The results
2350show that the implementation shows almost ideal behavior until an absolute
2351time of around 0.1 seconds is reached. The solver tolerances have been set
2352such that the solver performs five iterations. This way of plotting data is
2353the <b>strong scaling</b> of the algorithm. As we go to very large core
2354counts, the curves flatten out a bit earlier, which is because of the
2355communication network in SuperMUC where communication between processors
2356farther away is slightly slower.
2357
2358<img src="https://www.dealii.org/images/steps/developer/step-37.scaling_strong.png" alt="">
2359
2360In addition, the plot also contains results for <b>weak scaling</b> that lists
2361how the algorithm behaves as both the number of processor cores and elements
2362is increased at the same pace. In this situation, we expect that the compute
2363time remains constant. Algorithmically, the number of CG iterations is
2364constant at 5, so we are good from that end. The lines in the plot are
2365arranged such that the top left point in each data series represents the same
2366size per processor, namely 131,072 elements (or approximately 3.5 million
2367degrees of freedom per core). The gray lines indicating ideal strong scaling
2368are by the same factor of 8 apart. The results show again that the scaling is
2369almost ideal. The parallel efficiency when going from 288 cores to 147,456
2370cores is at around 75% for a local problem size of 750,000 degrees of freedom
2371per core which takes 1.0s on 288 cores, 1.03s on 2304 cores, 1.19s on 18k
2372cores, and 1.35s on 147k cores. The algorithms also reach a very high
2373utilization of the processor. The largest computation on 147k cores reaches
2374around 1.7 PFLOPs/s on SuperMUC out of an arithmetic peak of 3.2 PFLOPs/s. For
2375an iterative PDE solver, this is a very high number and significantly more is
2376often only reached for dense linear algebra. Sparse linear algebra is limited
2377to a tenth of this value.
2378
2379As mentioned in the introduction, the matrix-free method reduces the memory
2380consumption of the data structures. Besides the higher performance due to less
2381memory transfer, the algorithms also allow for very large problems to fit into
2382memory. The figure below shows the computational time as we increase the
2383problem size until an upper limit where the computation exhausts memory. We do
2384this for 1k cores, 8k cores, and 65k cores and see that the problem size can
2385be varied over almost two orders of magnitude with ideal scaling. The largest
2386computation shown in this picture involves 292 billion (@f$2.92 \cdot 10^{11}@f$)
2387degrees of freedom. On a DG computation of 147k cores, the above algorithms
2388were also run involving up to 549 billion (2^39) DoFs.
2389
2390<img src="https://www.dealii.org/images/steps/developer/step-37.scaling_size.png" alt="">
2391
2392Finally, we note that while performing the tests on the large-scale system
2393shown above, improvements of the multigrid algorithms in deal.II have been
2394developed. The original version contained the sub-optimal code based on
2395MGSmootherPrecondition where some MPI_Allreduce commands (checking whether
2396all vector entries are zero) were done on each smoothing
2397operation on each level, which only became apparent on 65k cores and
2398more. However, the following picture shows that the improvement already pay
2399off on a smaller scale, here shown on computations on up to 14,336 cores for
2400@f$\mathcal Q_5@f$ elements:
2401
2402<img src="https://www.dealii.org/images/steps/developer/step-37.scaling_oldnew.png" alt="">
2403
2404
2405<a name="step_37-Adaptivity"></a><h3> Adaptivity</h3>
2406
2407
2408As explained in the code, the algorithm presented here is prepared to run on
2409adaptively refined meshes. If only part of the mesh is refined, the multigrid
2410cycle will run with local smoothing and impose Dirichlet conditions along the
2411interfaces which differ in refinement level for smoothing through the
2412MatrixFreeOperators::Base class. Due to the way the degrees of freedom are
2413distributed over levels, relating the owner of the level cells to the owner of
2414the first descendant active cell, there can be an imbalance between different
2415processors in MPI, which limits scalability by a factor of around two to five.
2416
2417<a name="step_37-Possibilitiesforextensions"></a><h3> Possibilities for extensions</h3>
2418
2419
2420<a name="step_37-Kellyerrorestimator"></a><h4> Kelly error estimator </h4>
2421
2422
2423As mentioned above the code is ready for locally adaptive h-refinement.
2424For the Poisson equation one can employ the Kelly error indicator,
2425implemented in the KellyErrorEstimator class. However one needs to be careful
2426with the ghost indices of parallel vectors.
2427In order to evaluate the jump terms in the error indicator, each MPI process
2428needs to know locally relevant DoFs.
2429However MatrixFree::initialize_dof_vector() function initializes the vector only with
2430some locally relevant DoFs.
2431The ghost indices made available in the vector are a tight set of only those indices
2432that are touched in the cell integrals (including constraint resolution).
2433This choice has performance reasons, because sending all locally relevant degrees
2434of freedom would be too expensive compared to the matrix-vector product.
2435Consequently the solution vector as-is is
2436not suitable for the KellyErrorEstimator class.
2437The trick is to change the ghost part of the partition, for example using a
2438temporary vector and LinearAlgebra::distributed::Vector::copy_locally_owned_data_from()
2439as shown below.
2440
2441@code
2442const IndexSet locally_relevant_dofs = DoFTools::extract_locally_relevant_dofs(dof_handler);
2443LinearAlgebra::distributed::Vector<double> copy_vec(solution);
2444solution.reinit(dof_handler.locally_owned_dofs(),
2445 locally_relevant_dofs,
2446 triangulation.get_mpi_communicator());
2447solution.copy_locally_owned_data_from(copy_vec);
2448constraints.distribute(solution);
2449solution.update_ghost_values();
2450@endcode
2451
2452<a name="step_37-Sharedmemoryparallelization"></a><h4> Shared-memory parallelization</h4>
2453
2454
2455This program is parallelized with MPI only. As an alternative, the MatrixFree
2456loop can also be issued in hybrid mode, for example by using MPI parallelizing
2457over the nodes of a cluster and with threads through Intel TBB within the
2458shared memory region of one node. To use this, one would need to both set the
2459number of threads in the MPI_InitFinalize data structure in the main function,
2460and set the MatrixFree::AdditionalData::tasks_parallel_scheme to
2461partition_color to actually do the loop in parallel. This use case is
2462discussed in @ref step_48 "step-48".
2463
2464<a name="step_37-InhomogeneousDirichletboundaryconditions"></a><h4> Inhomogeneous Dirichlet boundary conditions </h4>
2465
2466
2467The presented program assumes homogeneous Dirichlet boundary conditions. When
2468going to non-homogeneous conditions, the situation is a bit more intricate. To
2469understand how to implement such a setting, let us first recall how these
2470arise in the mathematical formulation and how they are implemented in a
2471matrix-based variant. In essence, an inhomogeneous Dirichlet condition sets
2472some of the nodal values in the solution to given values rather than
2473determining them through the variational principles,
2474@f{eqnarray*}{
2475u_h(\mathbf{x}) = \sum_{i\in \mathcal N} \varphi_i(\mathbf{x}) u_i =
2476\sum_{i\in \mathcal N \setminus \mathcal N_D} \varphi_i(\mathbf{x}) u_i +
2477\sum_{i\in \mathcal N_D} \varphi_i(\mathbf{x}) g_i,
2478@f}
2479where @f$u_i@f$ denotes the nodal values of the solution and @f$\mathcal N@f$ denotes
2480the set of all nodes. The set @f$\mathcal N_D\subset \mathcal N@f$ is the subset
2481of the nodes that are subject to Dirichlet boundary conditions where the
2482solution is forced to equal @f$u_i = g_i = g(\mathbf{x}_i)@f$ as the interpolation
2483of boundary values on the Dirichlet-constrained node points @f$i\in \mathcal
2484N_D@f$. We then insert this solution
2485representation into the weak form, e.g. the Laplacian shown above, and move
2486the known quantities to the right hand side:
2487@f{eqnarray*}{
2488(\nabla \varphi_i, \nabla u_h)_\Omega &=& (\varphi_i, f)_\Omega \quad \Rightarrow \\
2489\sum_{j\in \mathcal N \setminus \mathcal N_D}(\nabla \varphi_i,\nabla \varphi_j)_\Omega \, u_j &=&
2490(\varphi_i, f)_\Omega
2491-\sum_{j\in \mathcal N_D} (\nabla \varphi_i,\nabla\varphi_j)_\Omega\, g_j.
2492@f}
2493In this formula, the equations are tested for all basis functions @f$\varphi_i@f$
2494with @f$i\in N \setminus \mathcal N_D@f$ that are not related to the nodes
2495constrained by Dirichlet conditions.
2496
2497In the implementation in deal.II, the integrals @f$(\nabla \varphi_i,\nabla \varphi_j)_\Omega@f$
2498on the right hand side are already contained in the local matrix contributions
2499we assemble on each cell. When using
2501@ref step_6 "step-6" and @ref step_7 "step-7" tutorial programs, we can account for the contribution of
2502inhomogeneous constraints <i>j</i> by multiplying the columns <i>j</i> and
2503rows <i>i</i> of the local matrix according to the integrals @f$(\varphi_i,
2504\varphi_j)_\Omega@f$ by the inhomogeneities and subtracting the resulting from
2505the position <i>i</i> in the global right-hand-side vector, see also the
2506@ref constraints topic. In essence, we use some of the integrals that get
2507eliminated from the left hand side of the equation to finalize the right hand
2508side contribution. Similar mathematics are also involved when first writing
2509all entries into a left hand side matrix and then eliminating matrix rows and
2511
2512In principle, the components that belong to the constrained degrees of freedom
2513could be eliminated from the linear system because they do not carry any
2514information. In practice, in deal.II we always keep the size of the linear
2515system the same to avoid handling two different numbering systems and avoid
2516confusion about the two different index sets. In order to ensure that the
2517linear system does not get singular when not adding anything to constrained
2518rows, we then add dummy entries to the matrix diagonal that are otherwise
2519unrelated to the real entries.
2520
2521In a matrix-free method, we need to take a different approach, since the @p
2522LaplaceOperator class represents the matrix-vector product of a
2523<b>homogeneous</b> operator (the left-hand side of the last formula). It does
2524not matter whether the AffineConstraints object passed to the
2525MatrixFree::reinit() contains inhomogeneous constraints or not, the
2526MatrixFree::cell_loop() call will only resolve the homogeneous part of the
2527constraints as long as it represents a <b>linear</b> operator.
2528
2529In our matrix-free code, the right hand side computation where the
2530contribution of inhomogeneous conditions ends up is completely decoupled from
2531the matrix operator and handled by a different function above. Thus, we need
2532to explicitly generate the data that enters the right hand side rather than
2533using a byproduct of the matrix assembly. Since we already know how to apply
2534the operator on a vector, we could try to use those facilities for a vector
2535where we only set the Dirichlet values:
2536@code
2537 // interpolate boundary values on vector solution
2538 std::map<types::global_dof_index, double> boundary_values;
2540 dof_handler,
2541 0,
2542 BoundaryValueFunction<dim>(),
2543 boundary_values);
2544 for (const std::pair<const types::global_dof_index, double> &pair : boundary_values)
2545 if (solution.locally_owned_elements().is_element(pair.first))
2546 solution(pair.first) = pair.second;
2547@endcode
2548or, equivalently, if we already had filled the inhomogeneous constraints into
2549an AffineConstraints object,
2550@code
2551 solution = 0;
2552 constraints.distribute(solution);
2553@endcode
2554
2555We could then pass the vector @p solution to the @p
2556LaplaceOperator::vmult_add() function and add the new contribution to the @p
2557system_rhs vector that gets filled in the @p LaplaceProblem::assemble_rhs()
2558function. However, this idea does not work because the
2559FEEvaluation::read_dof_values() call used inside the vmult() functions assumes
2560homogeneous values on all constraints (otherwise the operator would not be a
2561linear operator but an affine one). To also retrieve the values of the
2562inhomogeneities, we could select one of two following strategies.
2563
2564<a name="step_37-UseFEEvaluationread_dof_values_plaintoavoidresolvingconstraints"></a><h5> Use FEEvaluation::read_dof_values_plain() to avoid resolving constraints </h5>
2565
2566
2567The class FEEvaluation has a facility that addresses precisely this
2568requirement: For non-homogeneous Dirichlet values, we do want to skip the
2569implicit imposition of homogeneous (Dirichlet) constraints upon reading the
2570data from the vector @p solution. For example, we could extend the @p
2571LaplaceProblem::assemble_rhs() function to deal with inhomogeneous Dirichlet
2572values as follows, assuming the Dirichlet values have been interpolated into
2573the object @p constraints:
2574@code
2575template <int dim>
2576void LaplaceProblem<dim>::assemble_rhs()
2577{
2578 solution = 0;
2579 constraints.distribute(solution);
2580 solution.update_ghost_values();
2581 system_rhs = 0;
2582
2583 const Table<2, VectorizedArray<double>> &coefficient = system_matrix.get_coefficient();
2584 FEEvaluation<dim, degree_finite_element> phi(*system_matrix.get_matrix_free());
2585 for (unsigned int cell = 0;
2586 cell < system_matrix.get_matrix_free()->n_cell_batches();
2587 ++cell)
2588 {
2589 phi.reinit(cell);
2590 phi.read_dof_values_plain(solution);
2591 phi.evaluate(EvaluationFlags::gradients);
2592 for (const unsigned int q : phi.quadrature_point_indices())
2593 {
2594 phi.submit_gradient(-coefficient(cell, q) * phi.get_gradient(q), q);
2595 phi.submit_value(make_vectorized_array<double>(1.0), q);
2596 }
2598 phi.distribute_local_to_global(system_rhs);
2599 }
2600 system_rhs.compress(VectorOperation::add);
2601}
2602@endcode
2603
2604In this code, we replaced the FEEvaluation::read_dof_values() function for the
2605tentative solution vector by FEEvaluation::read_dof_values_plain() that
2606ignores all constraints. Due to this setup, we must make sure that other
2607constraints, e.g. by hanging nodes, are correctly distributed to the input
2608vector already as they are not resolved as in
2609FEEvaluation::read_dof_values_plain(). Inside the loop, we then evaluate the
2610Laplacian and repeat the second derivative call with
2611FEEvaluation::submit_gradient() from the @p LaplaceOperator class, but with the
2612sign switched since we wanted to subtract the contribution of Dirichlet
2613conditions on the right hand side vector according to the formula above. When
2614we invoke the FEEvaluation::integrate() call, we then set both arguments
2615regarding the value slot and first derivative slot to true to account for both
2616terms added in the loop over quadrature points. Once the right hand side is
2617assembled, we then go on to solving the linear system for the homogeneous
2618problem, say involving a variable @p solution_update. After solving, we can
2619add @p solution_update to the @p solution vector that contains the final
2620(inhomogeneous) solution.
2621
2622Note that the negative sign for the Laplacian alongside with a positive sign
2623for the forcing that we needed to build the right hand side is a more general
2624concept: We have implemented nothing else than Newton's method for nonlinear
2625equations, but applied to a linear system. We have used an initial guess for
2626the variable @p solution in terms of the Dirichlet boundary conditions and
2627computed a residual @f$r = f - Au_0@f$. The linear system was then solved as
2628@f$\Delta u = A^{-1} (f-Au)@f$ and we finally computed @f$u = u_0 + \Delta u@f$. For a
2629linear system, we obviously reach the exact solution after a single
2630iteration. If we wanted to extend the code to a nonlinear problem, we would
2631rename the @p assemble_rhs() function into a more descriptive name like @p
2632assemble_residual() that computes the (weak) form of the residual, whereas the
2633@p LaplaceOperator::apply_add() function would get the linearization of the
2634residual with respect to the solution variable.
2635
2636<a name="step_37-UseLaplaceOperatorwithasecondAffineConstraintsobjectwithoutDirichletconditions"></a><h5> Use LaplaceOperator with a second AffineConstraints object without Dirichlet conditions </h5>
2637
2638
2639A second alternative to get the right hand side that re-uses the @p
2640LaplaceOperator::apply_add() function is to instead add a second LaplaceOperator
2641that skips Dirichlet constraints. To do this, we initialize a second MatrixFree
2642object which does not have any boundary value constraints. This @p matrix_free
2643object is then passed to a @p LaplaceOperator class instance @p
2644inhomogeneous_operator that is only used to create the right hand side:
2645@code
2646template <int dim>
2647void LaplaceProblem<dim>::assemble_rhs()
2648{
2649 system_rhs = 0;
2650 AffineConstraints<double> no_constraints;
2651 no_constraints.close();
2652 LaplaceOperator<dim, degree_finite_element, double> inhomogeneous_operator;
2653
2654 typename MatrixFree<dim, double>::AdditionalData additional_data;
2655 additional_data.mapping_update_flags =
2657 std::shared_ptr<MatrixFree<dim, double>> matrix_free(
2659 matrix_free->reinit(dof_handler,
2660 no_constraints,
2661 QGauss<1>(fe.degree + 1),
2662 additional_data);
2663 inhomogeneous_operator.initialize(matrix_free);
2664
2665 solution = 0.0;
2666 constraints.distribute(solution);
2667 inhomogeneous_operator.evaluate_coefficient(Coefficient<dim>());
2668 inhomogeneous_operator.vmult(system_rhs, solution);
2669 system_rhs *= -1.0;
2670
2672 *inhomogeneous_operator.get_matrix_free());
2673 for (unsigned int cell = 0;
2674 cell < inhomogeneous_operator.get_matrix_free()->n_cell_batches();
2675 ++cell)
2676 {
2677 phi.reinit(cell);
2678 for (const unsigned int q : phi.quadrature_point_indices())
2679 phi.submit_value(make_vectorized_array<double>(1.0), q);
2680 phi.integrate(EvaluationFlags::values);
2681 phi.distribute_local_to_global(system_rhs);
2682 }
2683 system_rhs.compress(VectorOperation::add);
2684}
2685@endcode
2686
2687A more sophisticated implementation of this technique could reuse the original
2688MatrixFree object. This can be done by initializing the MatrixFree object with
2689multiple blocks, where each block corresponds to a different AffineConstraints
2690object. Doing this would require making substantial modifications to the
2691LaplaceOperator class, but the MatrixFreeOperators::LaplaceOperator class that
2692comes with the library can do this. See the discussion on blocks in
2693MatrixFreeOperators::Base for more information on how to set up blocks.
2694
2695<a name="step_37-Furtherperformanceimprovements"></a><h4> Further performance improvements </h4>
2696
2697
2698While the performance achieved in this tutorial program is already very good,
2699there is functionality in deal.II to further improve the performance. On the
2700one hand, increasing the polynomial degree to three or four will further
2701improve the time per unknown. (Even higher degrees typically get slower again,
2702because the multigrid iteration counts increase slightly with the chosen
2703simple smoother. One could then use hybrid multigrid algorithms to use
2704polynomial coarsening through MGTransferGlobalCoarsening, to reduce the impact
2705of the coarser level on the communication latency.) A more significant
2706improvement can be obtained by data-locality optimizations. The class
2707PreconditionChebyshev, when combined with a `DiagonalMatrix` inner
2708preconditioner as in the present class, can overlap the vector operations with
2709the matrix-vector product. As the former are typically constrained by memory
2710bandwidth, reducing the number of loads helps to achieve this goal. The two
2711ingredients to achieve this are
2712<ol>
2713<li> to provide LaplaceOperator class of this tutorial program with a `vmult`
2714function that takes two `std::function` objects, which can be passed on to
2715MatrixFree::cell_loop with the respective signature (PreconditionChebyshev
2716will then pick up this interface and schedule its vector operations), and </li>
2717<li> to compute a numbering that optimizes for data locality, as provided by
2719</ol>
2720 *
2721 *
2722<a name="step_37-PlainProg"></a>
2723<h1> The plain program</h1>
2724@include "step-37.cc"
2725*/
void distribute_local_to_global(const InVector &local_vector, const std::vector< size_type > &local_dof_indices, OutVector &global_vector) const
void distribute(VectorType &vec) const
void attach_dof_handler(const DoFHandler< dim, spacedim > &)
void read_dof_values(const VectorType &src, const unsigned int first_index=0, const std::bitset< n_lanes > &mask=std::bitset< n_lanes >().flip())
void evaluate(const EvaluationFlags::EvaluationFlags evaluation_flag)
void integrate(const EvaluationFlags::EvaluationFlags integration_flag)
Definition fe_q.h:554
void reinit(const size_type size, const bool omit_zeroing_entries=false)
void initialize(const MGSmootherBase< VectorType > &coarse_smooth)
void resize(const unsigned int new_minlevel, const unsigned int new_maxlevel, Args &&...args)
void set_constrained_entries_to_one(VectorType &dst) const
Definition operators.h:1442
void vmult_interface_down(VectorType &dst, const VectorType &src) const
Definition operators.h:1622
std::shared_ptr< DiagonalMatrix< VectorType > > inverse_diagonal_entries
Definition operators.h:447
unsigned int n_cell_batches() const
void initialize_dof_vector(VectorType &vec, const unsigned int dof_handler_index=0) const
void cell_loop(const std::function< void(const MatrixFree< dim, Number, VectorizedArrayType > &, OutVector &, const InVector &, const std::pair< unsigned int, unsigned int > &)> &cell_operation, OutVector &dst, const InVector &src, const bool zero_dst_vector=false) const
Definition point.h:111
Definition timer.h:117
Point< 2 > second
Definition grid_out.cc:4624
Point< 2 > first
Definition grid_out.cc:4623
unsigned int level
Definition grid_out.cc:4626
#define Assert(cond, exc)
#define AssertDimension(dim1, dim2)
void loop(IteratorType begin, std_cxx20::type_identity_t< IteratorType > end, DOFINFO &dinfo, INFOBOX &info, const std::function< void(std_cxx20::type_identity_t< DOFINFO > &, typename INFOBOX::CellInfo &)> &cell_worker, const std::function< void(std_cxx20::type_identity_t< DOFINFO > &, typename INFOBOX::CellInfo &)> &boundary_worker, const std::function< void(std_cxx20::type_identity_t< DOFINFO > &, std_cxx20::type_identity_t< DOFINFO > &, typename INFOBOX::CellInfo &, typename INFOBOX::CellInfo &)> &face_worker, AssemblerType &assembler, const LoopControl &lctrl=LoopControl())
Definition loop.h:564
void make_hanging_node_constraints(const DoFHandler< dim, spacedim > &dof_handler, AffineConstraints< number > &constraints)
@ update_JxW_values
Transformed quadrature weights.
@ update_gradients
Shape function gradients.
@ update_quadrature_points
Transformed quadrature points.
std::vector< index_type > data
Definition mpi.cc:735
std::size_t size
Definition mpi.cc:734
void matrix_free_data_locality(DoFHandler< dim, spacedim > &dof_handler, const MatrixFree< dim, Number, VectorizedArrayType > &matrix_free)
IndexSet extract_locally_relevant_dofs(const DoFHandler< dim, spacedim > &dof_handler)
IndexSet extract_locally_relevant_level_dofs(const DoFHandler< dim, spacedim > &dof_handler, const unsigned int level)
void scale(const double scaling_factor, Triangulation< dim, spacedim > &triangulation)
@ matrix
Contents is actually a matrix.
@ diagonal
Matrix is diagonal.
@ general
No special properties.
void compute_diagonal(const MatrixFree< dim, Number, VectorizedArrayType > &matrix_free, VectorType &diagonal_global, const std::function< void(FEEvaluation< dim, fe_degree, n_q_points_1d, n_components, Number, VectorizedArrayType > &)> &cell_operation, const unsigned int dof_no=0, const unsigned int quad_no=0, const unsigned int first_selected_component=0, const unsigned int first_vector_component=0)
void apply_boundary_values(const std::map< types::global_dof_index, number > &boundary_values, SparseMatrix< number > &matrix, Vector< number > &solution, Vector< number > &right_hand_side, const bool eliminate_columns=true)
Point< spacedim > point(const gp_Pnt &p, const double tolerance=1e-10)
Definition utilities.cc:191
SymmetricTensor< 2, dim, Number > e(const Tensor< 2, dim, Number > &F)
SymmetricTensor< 2, dim, Number > b(const Tensor< 2, dim, Number > &F)
SymmetricTensor< 2, dim, Number > d(const Tensor< 2, dim, Number > &F, const Tensor< 2, dim, Number > &dF_dt)
void apply(const Kokkos::TeamPolicy< MemorySpace::Default::kokkos_space::execution_space >::member_type &team_member, const Kokkos::View< Number *, MemorySpace::Default::kokkos_space > shape_data, const ViewTypeIn in, ViewTypeOut out)
VectorType::value_type * end(VectorType &V)
VectorType::value_type * begin(VectorType &V)
std::vector< unsigned int > serial(const std::vector< unsigned int > &targets, const std::function< RequestType(const unsigned int)> &create_request, const std::function< AnswerType(const unsigned int, const RequestType &)> &answer_request, const std::function< void(const unsigned int, const AnswerType &)> &process_answer, const MPI_Comm comm)
T sum(const T &t, const MPI_Comm mpi_communicator)
unsigned int this_mpi_process(const MPI_Comm mpi_communicator)
Definition mpi.cc:107
T reduce(const T &local_value, const MPI_Comm comm, const std::function< T(const T &, const T &)> &combiner, const unsigned int root_process=0)
std::string compress(const std::string &input)
Definition utilities.cc:389
void interpolate_boundary_values(const Mapping< dim, spacedim > &mapping, const DoFHandler< dim, spacedim > &dof, const std::map< types::boundary_id, const Function< spacedim, number > * > &function_map, std::map< types::global_dof_index, number > &boundary_values, const ComponentMask &component_mask={})
void run(const Iterator &begin, const std_cxx20::type_identity_t< Iterator > &end, Worker worker, Copier copier, const ScratchData &sample_scratch_data, const CopyData &sample_copy_data, const unsigned int queue_length, const unsigned int chunk_size)
unsigned int n_cells(const internal::TriangulationImplementation::NumberCache< 1 > &c)
Definition tria.cc:14871
void copy(const T *begin, const T *end, U *dest)
int(&) functions(const void *v1, const void *v2)
void assemble(const MeshWorker::DoFInfoBox< dim, DOFINFO > &dinfo, A *assembler)
Definition loop.h:70
void reinit(MatrixBlock< MatrixType > &v, const BlockSparsityPattern &p)
Definition mg.h:81
static const unsigned int invalid_unsigned_int
Definition types.h:220
STL namespace.
const ::parallel::distributed::Triangulation< dim, spacedim > * triangulation
DataOutBase::CompressionLevel compression_level
TasksParallelScheme tasks_parallel_scheme
DEAL_II_HOST constexpr Number determinant(const SymmetricTensor< 2, dim, Number > &)
DEAL_II_HOST constexpr SymmetricTensor< 2, dim, Number > invert(const SymmetricTensor< 2, dim, Number > &)
std::array< Number, 1 > eigenvalues(const SymmetricTensor< 2, 1, Number > &T)
VectorizedArray< Number, width > make_vectorized_array(const Number &u)