Fix the harmful uses of #define private public

source/source_base/test/CMakeLists.txt

@@ -146,12 +146,20 @@ AddTest(
   TARGET MODULE_BASE_opt_cg
   LIBS parameter  base device
   SOURCES opt_cg_test.cpp opt_test_tools.cpp
+  # opt_cg/opt_tn call into base, which is built with __MPI and therefore
+  # reaches Parallel_Reduce::reduce_all. Keep __MPI here so this target's
+  # main() actually calls MPI_Init.
+  KEEP_FEATURE_DEFINITIONS __MPI
 )
 
 AddTest(
   TARGET MODULE_BASE_opt_tn
   LIBS parameter  base device
   SOURCES opt_tn_test.cpp opt_test_tools.cpp
+  # opt_cg/opt_tn call into base, which is built with __MPI and therefore
+  # reaches Parallel_Reduce::reduce_all. Keep __MPI here so this target's
+  # main() actually calls MPI_Init.
+  KEEP_FEATURE_DEFINITIONS __MPI
 )
 
 AddTest(

source/source_base/test/global_function_test.cpp

@@ -695,9 +695,6 @@ TEST_F(GlobalFunctionTest,MemAvailable)
 
 TEST_F(GlobalFunctionTest,BlockHere)
 {
-#ifdef __MPI
-#undef __MPI
-#endif
 	std::string output2;
 	std::string block_in="111";
 	GlobalV::MY_RANK=1;
@@ -712,9 +709,6 @@ TEST_F(GlobalFunctionTest,BlockHere)
 
 TEST_F(GlobalFunctionTest,BlockHere2)
 {
-#ifdef __MPI
-#undef __MPI
-#endif
 	std::string output2;
 	std::string block_in="111";
 	GlobalV::MY_RANK=0;
@@ -733,9 +727,6 @@ TEST_F(GlobalFunctionTest,BlockHere2)
 
 TEST_F(GlobalFunctionTest,BlockHere3)
 {
-#ifdef __MPI
-#undef __MPI
-#endif
 	std::string output2;
 	std::string block_in="111";
 	GlobalV::MY_RANK=0;

source/source_base/test/math_chebyshev_test.cpp

@@ -331,55 +331,6 @@ TEST_F(MathChebyshevTest, tracepolyA)
     delete p_chetest;
 }
 
-TEST_F(MathChebyshevTest, checkconverge)
-{
-#ifdef __MPI
-#undef __MPI
-    const int norder = 100;
-    p_chetest = new ModuleBase::Chebyshev<double>(norder);
-    auto fun_sigma_y
-        = [&](std::complex<double>* in, std::complex<double>* out, const int m = 1) { fun.sigma_y(in, out, m); };
-
-    std::complex<double>* v = new std::complex<double>[4];
-    v[0] = 1.0;
-    v[1] = 0.0;
-    v[2] = 0.0;
-    v[3] = 1.0; //[1 0; 0 1]
-    double tmin = -1.1;
-    double tmax = 1.1;
-    bool converge;
-    converge = p_chetest->checkconverge(fun_sigma_y, v, 2, 2, tmax, tmin, 0.2);
-    EXPECT_TRUE(converge);
-    converge = p_chetest->checkconverge(fun_sigma_y, v + 2, 2, 2, tmax, tmin, 0.2);
-    EXPECT_TRUE(converge);
-    EXPECT_NEAR(tmin, -1.1, 1e-8);
-    EXPECT_NEAR(tmax, 1.1, 1e-8);
-
-    tmax = -1.1;
-    converge = p_chetest->checkconverge(fun_sigma_y, v, 2, 2, tmax, tmin, 2.2);
-    EXPECT_TRUE(converge);
-    EXPECT_NEAR(tmin, -1.1, 1e-8);
-    EXPECT_NEAR(tmax, 1.1, 1e-8);
-
-    // not converge
-    v[0] = std::complex<double>(0, 1), v[1] = 1;
-    fun.factor = 1.5;
-    tmin = -1.1, tmax = 1.1;
-    converge = p_chetest->checkconverge(fun_sigma_y, v, 2, 2, tmax, tmin, 0.2);
-    EXPECT_FALSE(converge);
-
-    fun.factor = -1.5;
-    tmin = -1.1, tmax = 1.1;
-    converge = p_chetest->checkconverge(fun_sigma_y, v, 2, 2, tmax, tmin, 0.2);
-    EXPECT_FALSE(converge);
-    fun.factor = 1;
-
-    delete[] v;
-    delete p_chetest;
-#define __MPI
-#endif
-}
-
 TEST_F(MathChebyshevTest, recurs)
 {
     testing::internal::CaptureStdout();
@@ -620,33 +571,5 @@ TEST_F(MathChebyshevTest, tracepolyA_float)
     delete p_fchetest;
 }
 
-TEST_F(MathChebyshevTest, checkconverge_float)
-{
-    #ifdef __MPI
-    #undef __MPI
-    const int norder = 100;
-    p_fchetest = new ModuleBase::Chebyshev<float>(norder);
-
-    std::complex<float>* v = new std::complex<float>[4];
-    v[0] = 1.0;
-    v[1] = 0.0;
-    v[2] = 0.0;
-    v[3] = 1.0; //[1 0; 0 1]
-    float tmin = -1.1;
-    float tmax = 1.1;
-    bool converge;
-
-    auto fun_sigma_yf
-        = [&](std::complex<float>* in, std::complex<float>* out, const int m = 1) { fun.sigma_y(in, out, m); };
-    converge = p_fchetest->checkconverge(fun_sigma_yf, v, 2, 2, tmax, tmin, 0.2);
-    EXPECT_TRUE(converge);
-    converge = p_fchetest->checkconverge(fun_sigma_yf, v + 2, 2, 2, tmax, tmin, 0.2);
-    EXPECT_TRUE(converge);
-    EXPECT_NEAR(tmin, -1.1, 1e-6);
-    EXPECT_NEAR(tmax, 1.1, 1e-6);
+#endif
 
-    delete[] v;
-    delete p_fchetest;
-    #endif
-}
-#endif

source/source_base/test/opt_cg_test.cpp

@@ -1,7 +1,7 @@
+#include "gtest/gtest.h"
 #ifdef __MPI
-#undef __MPI
+#include <mpi.h>
 #endif
-#include "gtest/gtest.h"
 #include "../opt_cg.h"
 #include "../opt_dcsrch.h"
 #include "./opt_test_tools.h"
@@ -151,71 +151,67 @@ class CG_test : public testing::Test
 
 TEST_F(CG_test, Stand_Solve_LinearEq)
 {
-#ifdef __MPI
-#undef __MPI
     CG_Solve_LinearEq();
     EXPECT_NEAR(x[0], 0.5, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], 1.6429086563584579739e-18, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 1.5, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 4);
     ASSERT_EQ(cg.get_iter(), 4);
-#define __MPI
-#endif
 }
 
 TEST_F(CG_test, PR_Solve_LinearEq)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(1, 0);
     EXPECT_NEAR(x[0], 0.50000000000003430589, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], -3.4028335704761047964e-14, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 1.5000000000000166533, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 3);
     ASSERT_EQ(cg.get_iter(), 3);
-#define __MPI
-#endif
 }
 
 TEST_F(CG_test, HZ_Solve_LinearEq)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(2, 0);
     EXPECT_NEAR(x[0], 0.49999999999999944489, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], -9.4368957093138305936e-16, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 1.5000000000000011102, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 3);
     ASSERT_EQ(cg.get_iter(), 3);
-#define __MPI
-#endif
 }
 
 TEST_F(CG_test, PR_Min_Func)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(1, 1);
     EXPECT_NEAR(x[0], 4.0006805979150792396, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], 2.0713759992720870429, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 9.2871067233169171118, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 18);
     ASSERT_EQ(cg.get_iter(), 18);
-#define __MPI
-#endif
 }
 
 TEST_F(CG_test, HZ_Min_Func)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(2, 1);
     EXPECT_NEAR(x[0], 4.0006825378033568086, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], 2.0691732100663737803, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 9.2780872787668311474, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 18);
     ASSERT_EQ(cg.get_iter(), 18);
-#define __MPI
+}
+// g++ -std=c++11 ../opt_CG.cpp ../opt_DCsrch.cpp ./CG_test.cpp ./test_tools.cpp  -lgtest -lpthread -lgtest_main -o test.exe
+
+int main(int argc, char** argv)
+{
+#ifdef __MPI
+    MPI_Init(&argc, &argv);
 #endif
+
+    testing::InitGoogleTest(&argc, argv);
+    int result = RUN_ALL_TESTS();
+
+#ifdef __MPI
+    MPI_Finalize();
+#endif
+
+    return result;
 }
-// g++ -std=c++11 ../opt_CG.cpp ../opt_DCsrch.cpp ./CG_test.cpp ./test_tools.cpp  -lgtest -lpthread -lgtest_main -o test.exe

source/source_base/test/opt_test_tools.cpp

@@ -1,6 +1,3 @@
-#ifdef __MPI
-#undef __MPI
-#endif
 #include "./opt_test_tools.h"
 #include <math.h>
 

source/source_base/test/opt_tn_test.cpp

@@ -1,4 +1,7 @@
 #include "gtest/gtest.h"
+#ifdef __MPI
+#include <mpi.h>
+#endif
 #include "../opt_tn.hpp"
 #include "../opt_dcsrch.h"
 #include "./opt_test_tools.h"
@@ -114,28 +117,36 @@ class TN_test : public testing::Test
 
 TEST_F(TN_test, TN_Solve_LinearEq)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(0);
     EXPECT_NEAR(x[0], 0.50000000000003430589, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], -3.4028335704761047964e-14, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 1.5000000000000166533, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 1);
     ASSERT_EQ(tn.get_iter(), 1);
-#define __MPI
-#endif
 }
 
 TEST_F(TN_test, TN_Min_Func)
 {
-#ifdef __MPI
-#undef __MPI
     Solve(1);
     EXPECT_NEAR(x[0], 4.0049968540891525137, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[1], 2.1208751163987624722, DOUBLETHRESHOLD);
     EXPECT_NEAR(x[2], 9.4951527720891863993, DOUBLETHRESHOLD);
     ASSERT_EQ(final_iter, 6);
     ASSERT_EQ(tn.get_iter(), 6);
-#define __MPI
+}
+
+int main(int argc, char** argv)
+{
+#ifdef __MPI
+    MPI_Init(&argc, &argv);
 #endif
-}
+
+    testing::InitGoogleTest(&argc, argv);
+    int result = RUN_ALL_TESTS();
+
+#ifdef __MPI
+    MPI_Finalize();
+#endif
+
+    return result;
+}

source/source_cell/module_neighbor/test/sltk_grid_test.cpp

@@ -1,6 +1,8 @@
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
 
+#include "source_io/module_parameter/parameter.h"
+#include "source_io/module_parameter/test_parameters.h"
 #define private public
 #include "source_cell/module_neighbor/sltk_grid.h"
 #include "prepare_unitcell.h"
@@ -106,10 +108,10 @@ TEST_F(SltkGridTest, InitNoExpand)
     ofs.open("test.out");
     unitcell::check_dtau(ucell->atoms,ucell->ntype, ucell->lat0, ucell->latvec);
     test_atom_in = 2;
-    PARAM.input.test_grid = 1;
+    TestParameters::input().test_grid = 1;
     double radius = 1e-1000;
     Atom_input Atom_inp(ofs, *ucell, ucell->nat, ucell->ntype, pbc, radius, test_atom_in);
-    Grid LatGrid(PARAM.input.test_grid);
+    Grid LatGrid(TestParameters::input().test_grid);
     LatGrid.init(ofs, *ucell, Atom_inp);
     ofs.close();
 }

source/source_cell/test/unitcell_test_setupcell.cpp

@@ -1,7 +1,5 @@
 #include "gtest/gtest.h"
 #include "gmock/gmock.h"
-#define private public
-#undef private
 #include "memory"
 #include "source_base/mathzone.h"
 #include "source_base/global_variable.h"

source/source_cell/test_pw/unitcell_test_pw.cpp

@@ -1,7 +1,5 @@
 #include "gtest/gtest.h"
 #include "gmock/gmock.h"
-#define private public
-#undef private
 #include "memory"
 #include "source_base/mathzone.h"
 #include "source_base/global_variable.h"

source/source_esolver/test/esolver_dp_test.cpp

@@ -6,6 +6,7 @@
 #define protected public
 #include "../esolver_dp.h"
 #include "source_io/module_parameter/input_parameter.h"
+#undef protected
 #undef private
 /************************************************
  *  unit tests of class ESolver_DP