Merge pull request #67 from lan496/goodbye-openmp

Remove OpenMP support

.github/workflows/cpp.yml

@@ -6,6 +6,12 @@ on:
     paths:
     - '**.cpp'
     - '**.hpp'
+  pull_request:
+    branches: [main, develop]
+    paths:
+    - '**.cpp'
+    - '**.hpp'
+  workflow_dispatch:
 
 jobs:
   test-tdzdd:

.github/workflows/testing.yml

@@ -3,6 +3,9 @@ name: testing
 on:
   push:
     branches: [main, develop]
+  pull_request:
+    branches: [main, develop]
+  workflow_dispatch:
 
 jobs:
   tests:

xtal_tdzdd/CMakeLists.txt

@@ -17,19 +17,6 @@ FetchContent_MakeAvailable(tdzdd)
 add_library(xtal_tdzdd STATIC
             iterator.cpp)
 
-# https://cliutils.gitlab.io/modern-cmake/chapters/packages/OpenMP.html
-# https://iscinumpy.gitlab.io/post/omp-on-high-sierra/
-find_package(OpenMP REQUIRED)
-if(NOT TARGET OpenMP::OpenMP_CXX)
-    add_library(OpenMP_TARGET INTERFACE)
-    add_library(OpenMP::OpenMP_CXX ALIAS OpenMP_TARGET)
-    target_compile_options(OpenMP_TARGET INTERFACE ${OpenMP_CXX_FLAGS})
-    find_package(Threads REQUIRED)
-    target_link_libraries(OpenMP_TARGET INTERFACE Threads::Threads)
-    target_link_libraries(OpenMP_TARGET INTERFACE ${OpenMP_CXX_FLAGS})
-endif()
-target_link_libraries(xtal_tdzdd PUBLIC OpenMP::OpenMP_CXX)
-
 target_compile_options(xtal_tdzdd PRIVATE
                        -O3 -Wall -Winit-self -Wlogical-op)
 set_target_properties(xtal_tdzdd PROPERTIES POSITION_INDEPENDENT_CODE ON)

xtal_tdzdd/short_range_order.hpp

@@ -109,8 +109,7 @@ void prepare_binary_derivative_structures_with_sro_(
     const std::vector<graph::Vertex>& vertex_order,
     const std::vector<permutation::Permutation>& automorphism,
     const std::vector<std::pair<std::vector<int>, int>>&
-        composition_constraints,
-    bool useMP) {
+        composition_constraints) {
     // sanity check
     for (const auto& perm : automorphism) {
         if (perm.get_size() != static_cast<size_t>(num_sites)) {
@@ -144,7 +143,7 @@ void prepare_binary_derivative_structures_with_sro_(
 
     // ======== construct DD ========
     dd = universe::Universe(num_variables);
-    dd.useMultiProcessors(useMP);
+    dd.useMultiProcessors(false);
 
     // spec for composition constraints
     assert(!composition_constraints.empty());
@@ -179,8 +178,7 @@ void prepare_multicomponent_derivative_structures_with_sro_(
     const std::vector<graph::Vertex>& vertex_order,
     const std::vector<permutation::Permutation>& automorphism,
     const std::vector<std::pair<std::vector<int>, int>>&
-        composition_constraints,
-    bool useMP) {
+        composition_constraints) {
     size_t num_variables = num_sites * num_types;
     // sanity check
     for (const auto& perm : automorphism) {
@@ -215,7 +213,7 @@ void prepare_multicomponent_derivative_structures_with_sro_(
 
     // ======== construct DD ========
     dd = universe::Universe(num_variables);
-    dd.useMultiProcessors(useMP);
+    dd.useMultiProcessors(false);
 
     // spec for one-of-k
     for (permutation::Element site = 0;
@@ -271,8 +269,7 @@ void prepare_derivative_structures_with_sro(
     const std::vector<graph::Vertex>& vertex_order,
     const std::vector<permutation::Permutation>& automorphism,
     const std::vector<std::pair<std::vector<int>, int>>&
-        composition_constraints,
-    bool useMP) {
+        composition_constraints) {
     // sanity check
     assert(num_sites >= 1);
     assert(num_types >= 2);
@@ -283,11 +280,11 @@ void prepare_derivative_structures_with_sro(
     if (num_types == 2) {
         prepare_binary_derivative_structures_with_sro_(
             dd, num_sites, num_types, vertex_order, automorphism,
-            composition_constraints, useMP);
+            composition_constraints);
     } else {
         prepare_multicomponent_derivative_structures_with_sro_(
             dd, num_sites, num_types, vertex_order, automorphism,
-            composition_constraints, useMP);
+            composition_constraints);
     }
     tdzdd::MessageHandler::showMessages(false);
 }
@@ -336,12 +333,11 @@ void construct_derivative_structures_with_sro(
     const std::vector<std::pair<std::vector<int>, int>>&
         composition_constraints,
     const std::vector<graph::Graph>& graphs,
-    const std::vector<graph::Weight>& targets, bool remove_superperiodic,
-    bool useMP) {
+    const std::vector<graph::Weight>& targets, bool remove_superperiodic) {
     // ==== construct DD ====
     prepare_derivative_structures_with_sro(dd, num_sites, num_types,
                                            vertex_order, automorphism,
-                                           composition_constraints, useMP);
+                                           composition_constraints);
 
     // fix SRO
     // TODO: better vertex_order choice

xtal_tdzdd/test/CMakeLists.txt

@@ -27,12 +27,6 @@ include_directories(${tdzdd_SOURCE_DIR}/include)
 
 include_directories(../)
 
-# OpenMP
-find_package(OpenMP)
-if (OPENMP_FOUND)
-  set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
-endif()
-
 add_compile_options(-O3 -Wall -Winit-self -Wlogical-op -fsanitize=address)
 add_link_options(-fsanitize=address)
 

xtal_tdzdd/test/test_sro.cpp

@@ -80,8 +80,7 @@ TEST(SroTest, BinaryTest) {
         construct_derivative_structures_with_sro(
             dd, num_sites, num_types, vertex_order, automorphism, translations,
             composition_constraints, graphs, targets,
-            true,  // remove superperiodic
-            false  // not useMP
+            true  // remove superperiodic
         );
 
         std::string cardinality_expect = "1";
@@ -184,8 +183,8 @@ TEST(SroTest, TernaryTest) {
     construct_derivative_structures_with_sro(
         dd, num_sites, num_types, vertex_order, automorphism, translations,
         composition_constraints, cluster_graphs, targets,
-        true,  // remove superperiodic
-        false);
+        true  // remove superperiodic
+    );
 
     // return labelings
     auto converter = VertexConverter(num_variables, vertex_order);

xtal_tdzdd/wrapper.cpp

@@ -22,8 +22,8 @@ PYBIND11_MODULE(pyzdd_, m) {
     // DD structure
     py::class_<tdzdd::DdStructure<2>> PyDdStructure2(m, "Universe");
     PyDdStructure2.def(py::init<>());
-    PyDdStructure2.def(py::init<int, bool>(), "Universe DD construction",
-                       py::arg("n"), py::arg("useMP") = false);
+    PyDdStructure2.def(py::init<int>(), "Universe DD construction",
+                       py::arg("n"));
     PyDdStructure2.def(
         py::init<tdzdd::DdStructure<2> const &>());  // copy constructor
     PyDdStructure2.def(py::self == py::self);        // operator==
@@ -115,7 +115,7 @@ PYBIND11_MODULE(pyzdd_, m) {
           &pyzdd::derivative_structure::prepare_derivative_structures_with_sro,
           py::arg("dd"), py::arg("num_sites"), py::arg("num_types"),
           py::arg("vertex_order"), py::arg("automorphism"),
-          py::arg("composition_constraints"), py::arg("useMP") = false);
+          py::arg("composition_constraints"));
     m.def("restrict_pair_correlation",
           &pyzdd::derivative_structure::restrict_pair_correlation,
           py::arg("dd"), py::arg("num_sites"), py::arg("num_types"),
@@ -130,8 +130,7 @@ PYBIND11_MODULE(pyzdd_, m) {
         py::arg("dd"), py::arg("num_sites"), py::arg("num_types"),
         py::arg("vertex_order"), py::arg("automorphism"),
         py::arg("translations"), py::arg("composition_constraints"),
-        py::arg("graphs"), py::arg("targets"), py::arg("remove_superperiodic"),
-        py::arg("useMP") = false);
+        py::arg("graphs"), py::arg("targets"), py::arg("remove_superperiodic"));
     // converter
     py::class_<pyzdd::derivative_structure::VertexConverter>(
         m, "BinaryVertexConverter")