fix bug

Author: Qianruipku

source/module_base/test/CMakeLists.txt

@@ -134,8 +134,9 @@ AddTest(
 
 AddTest(
   TARGET base_math_chebyshev
-  LIBS parameter  ${math_libs} base device
-  SOURCES math_chebyshev_test.cpp
+  LIBS parameter  ${math_libs}
+  SOURCES math_chebyshev_test.cpp  ../blas_connector.cpp ../math_chebyshev.cpp ../tool_quit.cpp ../global_variable.cpp ../timer.cpp ../global_file.cpp ../global_function.cpp ../memory.cpp 
+  ../module_container/ATen/kernels/blas.cpp ../module_device/memory_op.cpp ../module_device/device.cpp
 )
 
 AddTest(

source/module_hamilt_pw/hamilt_stodft/sto_che.h

@@ -62,6 +62,7 @@ REAL vTMv(const REAL* v, const REAL* M, const int n)
                                                                                         dot_device,
                                                                                         1);
     base_device::memory::delete_memory_op<REAL, Device>()(ctx, y);
+    base_device::memory::delete_memory_op<REAL, Device>()(ctx, dot_device);
     return result;
 }
 

source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp

@@ -401,7 +401,8 @@ void Stochastic_Iter<T, Device>::calPn(const int& ik, Stochastic_WF<T, Device>&
         const int M = npwx * nchip_ik * 2; // Do not use kv.ngk[ik]
         const int N = norder;
         const Real kweight = this->pkv->wk[ik];
-        hsolver::gemm_op<Real, Device>()(this->ctx, trans, normal, N, M, norder, &kweight, vec_all, LDA, vec_all, LDA, &one, spolyv, N);
+        
+        hsolver::gemm_op<Real, Device>()(this->ctx, trans, normal, N, N, M, &kweight, vec_all, LDA, vec_all, LDA, &one, spolyv, N);
         // dgemm_(&trans, &normal, &N, &N, &M, &kweight, vec_all, &LDA, vec_all, &LDA, &one, spolyv, &N);
     }
     ModuleBase::timer::tick("Stochastic_Iter", "calPn");

source/module_hsolver/test/test_hsolver_sdft.cpp

@@ -23,11 +23,40 @@ Sto_Func<REAL>::Sto_Func()
 }
 template class Sto_Func<double>;
 
+
+template <>
+elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
+                                    Charge* chg_in,
+                                    K_Vectors* pkv_in,
+                                    UnitCell* ucell_in,
+                                    pseudopot_cell_vnl* ppcell_in,
+                                    ModulePW::PW_Basis* rhodpw_in,
+                                    ModulePW::PW_Basis* rhopw_in,
+                                    ModulePW::PW_Basis_Big* bigpw_in)
+    : basis(wfc_basis_in)
+{
+}
+
+template<>
+elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::~ElecStatePW() 
+{
+}
+
 template<>
 void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::init_rho_data() 
 {
 }
 
+template<>
+void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::psiToRho(const psi::Psi<std::complex<double>, base_device::DEVICE_CPU>& psi)
+{
+}
+
+template<>
+void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::cal_tau(const psi::Psi<std::complex<double>, base_device::DEVICE_CPU>& psi)
+{
+}
+
 template <typename REAL, typename Device>
 StoChe<REAL, Device>::StoChe(const int& nche, const int& method, const REAL& emax_sto, const REAL& emin_sto)
 {
@@ -141,7 +170,7 @@ Charge::~Charge(){};
 class TestHSolverPW_SDFT : public ::testing::Test
 {
   public:
-    TestHSolverPW_SDFT() : stoche(8, 1, 0, 0)
+    TestHSolverPW_SDFT() : stoche(8, 1, 0, 0), elecstate_test(nullptr, nullptr, nullptr, nullptr, nullptr, nullptr, nullptr, nullptr)
     {
     }
     ModulePW::PW_Basis_K pwbk;
@@ -175,7 +204,7 @@ class TestHSolverPW_SDFT : public ::testing::Test
     psi::Psi<std::complex<double>> psi_test_cd;
     psi::Psi<std::complex<double>> psi_test_no;
 
-    elecstate::ElecState elecstate_test;
+    elecstate::ElecStatePW<std::complex<double>> elecstate_test;
 
     std::string method_test = "cg";
 
@@ -239,6 +268,8 @@ TEST_F(TestHSolverPW_SDFT, solve_noband_skipcharge)
     elecstate_test.charge->rho = new double*[1];
     elecstate_test.charge->rho[0] = new double[10];
     elecstate_test.charge->nrxx = 10;
+    elecstate_test.rho = new double*[1];
+    elecstate_test.rho[0] = new double[10];
     int istep = 0;
     int iter = 0;