Merge pull request #282 from sethrj/final-cleanup

trilinos · Dec 1, 2020 · 217ba88 · 217ba88
2 parents 74ec43a + cae3713
commit 217ba88
Show file tree

Hide file tree

Showing 28 changed files with 384 additions and 1,570 deletions.
diff --git a/.clang-format b/.clang-format
@@ -0,0 +1,6 @@
+#Official Tool: clang-format version 8.0.0
+BasedOnStyle: google
+SortIncludes: false
+AlignConsecutiveAssignments: true
+AllowShortCaseLabelsOnASingleLine: true
+AllowShortIfStatementsOnASingleLine: true
diff --git a/ROADMAP.md b/ROADMAP.md
diff --git a/ReleaseNotes.txt b/ReleaseNotes.txt
diff --git a/doc/install.rst b/doc/install.rst
@@ -28,7 +28,7 @@ wrappers.)
    ===========  ============== ======================
    ForTrilinos  Trilinos       SWIG
    ===========  ============== ======================
-   2.0.0        13.0           4.0.2+fortran
+   2.0.0        13             4.0.2+fortran
    2.0.0-dev3   12.18.1        4.0.2+fortran
    2.0.0-dev2   12.18.1        4.0.0+fortran+15e6ed59
    2.0.0-dev1   12.17+8a82b322 4.0.0+fortran+15e6ed59
@@ -46,12 +46,12 @@ That code is no longer developed and maintained, and is available using the
 Spack
 -----
 
-To install ForTrilinos version ``2.0.0-dev2`` through an existing Spack
+To install ForTrilinos version ``2.0.0`` through an existing Spack
 installation (v0.16 or higher, or the ``develop`` branch):
 
 .. code:: console
 
-   $ spack install fortrilinos@2.0.0-dev2 ^trilinos@12.18.1+nox+stratimikos
+   $ spack install fortrilinos@2.0.0 ^trilinos+nox+stratimikos
 
 Manual
 ------

diff --git a/scripts/build-yuri.sh b/scripts/build-yuri.sh
@@ -8,7 +8,7 @@ mkdir build 2>/dev/null || true
 cd build
 
 module purge
-SPACK_VIEW=/usr/local/spack/var/spack/environments/fortrilinos/.spack-env/view
+SPACK_VIEW=$SPACK_ROOT/var/spack/environments/fortrilinos/.spack-env/view
 export CMAKE_PREFIX_PATH=$SPACK_VIEW:$CMAKE_PREFIX_PATH
 export PATH=$SPACK_VIEW/bin:$PATH
 
@@ -19,8 +19,6 @@ cmake -G Ninja \
   -DForTrilinos_EXAMPLES:BOOL=ON \
   -DForTrilinos_TESTING:BOOL=ON \
   -DForTrilinos_USE_SWIG_Fortran:BOOL=ON \
-  -DSWIG_EXECUTABLE:FILENAME=/rnsdhpc/code/swig-old/swig \
-  -DSWIG_DIR:FILENAME=/rnsdhpc/code/swig-old/Lib \
   ..
 ninja -v
 ctest --output-on-failure
diff --git a/scripts/spack.yaml b/scripts/spack.yaml
@@ -0,0 +1,23 @@
+spack:
+  specs:
+  - cmake
+  - ninja
+  - openmpi
+  - swig@4.0.2-fortran
+  - trilinos +amesos2 +anasazi +belos +teuchos +kokkos +ifpack2 +muelu +nox +tpetra
+    +stratimikos +mpi gotype=long_long
+  view: true
+  concretization: together
+  packages:
+    trilinos:
+      variants: ~adios2 ~alloptpkgs ~boost ~cgns ~chaco ~complex ~debug ~dtk ~exodus
+        +explicit_template_instantiation ~float +fortran ~glm ~gtest ~hypre  ~intrepid2
+        ~isorropia ~matio ~mesquite ~metis ~minitensor ~mumps ~netcdf ~openmp ~phalanx
+        ~piro ~pnetcdf ~python ~rol ~rythmos +shared ~shylu ~stk ~suite-sparse ~superlu
+        ~superlu-dist ~teko ~tempus ~x11 ~xsdkflags ~zlib ~zoltan ~zoltan2 ~epetra
+        ~amesos ~epetraext ~ifpack ~aztec
+    all:
+      providers:
+        blas: [openblas]
+        lapack: [openblas]
+        mpi: [openmpi]
diff --git a/src/fortrilinos_hl/eigen_handle.cpp b/src/fortrilinos_hl/eigen_handle.cpp
@@ -27,17 +27,11 @@
 
 namespace ForTrilinos {
 
-  void TrilinosEigenSolver::init() {
-    TEUCHOS_ASSERT(status_ == NOT_INITIALIZED);
-    comm_ = Teuchos::DefaultComm<int>::getComm();
-    status_ = INITIALIZED;
-  }
+TrilinosEigenSolver::TrilinosEigenSolver()
+    : comm_(Teuchos::DefaultComm<int>::getComm()), status_(INITIALIZED) {}
 
-  void TrilinosEigenSolver::init(const Teuchos::RCP<const Teuchos::Comm<int>>& comm) {
-    TEUCHOS_ASSERT(status_ == NOT_INITIALIZED);
-    comm_ = comm;
-    status_ = INITIALIZED;
-  }
+TrilinosEigenSolver::TrilinosEigenSolver(const Teuchos::RCP<const Teuchos::Comm<int>>& comm)
+    : comm_(comm), status_(INITIALIZED) {}
 
   void TrilinosEigenSolver::setup_matrix(const Teuchos::RCP<Matrix>& A) {
     TEUCHOS_ASSERT(status_ == INITIALIZED);
@@ -128,30 +122,36 @@ namespace ForTrilinos {
     status_ = SOLVER_SETUP;
   }
 
+  int TrilinosEigenSolver::max_eigenvalues() const {
+    TEUCHOS_ASSERT(status_ >= SOLVER_SETUP);
+    return numEigenvalues_;
+  }
+
   int TrilinosEigenSolver::solve(Teuchos::ArrayView<SC> eigenValues,
                                  Teuchos::RCP<MultiVector>& eigenVectors,
-                                 Teuchos::ArrayView<int> eigenIndex) const {
+                                 Teuchos::ArrayView<int> eigenIndex) {
     using Teuchos::RCP;
     using Teuchos::ArrayRCP;
 
-    TEUCHOS_ASSERT(status_ == SOLVER_SETUP);
+    TEUCHOS_ASSERT(status_ >= SOLVER_SETUP);
 
     Anasazi::ReturnType r = solver_->solve();
-    TEUCHOS_ASSERT(r == 0);
+    status_ = SOLVED;
+    converged_ = (r == Anasazi::Converged);
+    numIters_ = solver_->getNumIters();
 
     // Extract solution
     Anasazi::Eigensolution<SC,MultiVector> solution = solver_->getProblem().getSolution();
 
     int eNum = solution.numVecs;
-    TEUCHOS_ASSERT(eNum > 0);
     std::vector<Anasazi::Value<SC>>& eValues = solution.Evals;
     std::vector<int>&                eIndex  = solution.index;
 
     size_t numConverged = std::min(eNum, numEigenvalues_);
     TEUCHOS_TEST_FOR_EXCEPTION(2 * eigenValues.size() < numConverged, std::runtime_error,
       "Insufficient space to store eigenvalues. Please provide at least two times the desired number of eigenvalues.");
     TEUCHOS_TEST_FOR_EXCEPTION(eigenIndex.size() < numConverged, std::runtime_error,
-      "Insufficient space to store index. Please provide at least two times the desired number of eigenvalues.");
+      "Insufficient space to store index. Please provide at least the desired number of eigenvalues.");
 
     for (size_t i = 0; i < eValues.size(); i++) {
       eigenValues[2*i+0] = eValues[i].realpart;
@@ -166,15 +166,13 @@ namespace ForTrilinos {
     return eValues.size();
   }
 
-  void TrilinosEigenSolver::finalize() {
-    // No need to check the status_, we can finalize() at any moment.
-    comm_          = Teuchos::null;
-    A_             = Teuchos::null;
-    M_             = Teuchos::null;
-    solver_        = Teuchos::null;
-    paramList_     = Teuchos::null;
-
-    status_ = NOT_INITIALIZED;
+  bool TrilinosEigenSolver::converged() const {
+    TEUCHOS_ASSERT(status_ >= SOLVED);
+    return converged_;
   }
 
+  int TrilinosEigenSolver::num_iters() const {
+    TEUCHOS_ASSERT(status_ >= SOLVED);
+    return numIters_;
+  }
 }
diff --git a/src/fortrilinos_hl/eigen_handle.hpp b/src/fortrilinos_hl/eigen_handle.hpp
@@ -44,47 +44,45 @@ namespace ForTrilinos {
   public:
 
     // Constructors
-    TrilinosEigenSolver() : status_(NOT_INITIALIZED) { }
-
-    TrilinosEigenSolver(const TrilinosEigenSolver&) = delete;
-    void operator=(const TrilinosEigenSolver&) = delete;
-
-    // Initialize
-    void init();
-    void init(const Teuchos::RCP<const Teuchos::Comm<int>>& comm);
+    TrilinosEigenSolver();
+    explicit TrilinosEigenSolver(const Teuchos::RCP<const Teuchos::Comm<int>>& comm);
 
     // Setup matrices by construction
-    void setup_matrix    (const Teuchos::RCP<Matrix>& A);
+    void setup_matrix(const Teuchos::RCP<Matrix>& A);
     void setup_matrix_rhs(const Teuchos::RCP<Matrix>& M);
 
     // Setup operators
-    void setup_operator    (const Teuchos::RCP<Operator>& A);
+    void setup_operator(const Teuchos::RCP<Operator>& A);
     void setup_operator_rhs(const Teuchos::RCP<Operator>& M);
 
     // Setup solver based on the parameter list
     void setup_solver(const Teuchos::RCP<Teuchos::ParameterList>& paramList);
+    // Maximum number of eigenvalues to solve for
+    int max_eigenvalues() const;
 
     // Solve eigen system given rhs
     int solve(Teuchos::ArrayView<SC> eigenValues,
               Teuchos::RCP<MultiVector>& eigenVectors,
-              Teuchos::ArrayView<int> eigenIndex) const;
-
-    // Free all data
-    void finalize();
+              Teuchos::ArrayView<int> eigenIndex);
+    // Whether the solver converged
+    bool converged() const;
+    // Number of iterations used to solve
+    int num_iters() const;
 
   private:
 
     Teuchos::RCP<const Teuchos::Comm<int>> comm_;
     Teuchos::RCP<Operator>           A_, M_;
     Teuchos::RCP<SolverManager>      solver_;
-    Teuchos::RCP<ParameterList>      paramList_;
     int                              numEigenvalues_;
+    int                              numIters_;
+    bool                             converged_;
 
     enum Status {
-      NOT_INITIALIZED,
       INITIALIZED,
       MATRIX_SETUP,
       SOLVER_SETUP,
+      SOLVED,
     } status_;
   };
 

diff --git a/src/fortrilinos_hl/fortrilinos_hl.i b/src/fortrilinos_hl/fortrilinos_hl.i
@@ -30,6 +30,7 @@ typedef char                                    Packet;
 #include "fortrilinos_hl/eigen_handle.hpp"
 %}
 
+%fortransubroutine ForTrilinos::TrilinosSolver::solve;
 %include "solver_handle.hpp"
 %include "eigen_handle.hpp"