rename diago_blas to diago_scalapack (#4233)

deepmodeling · May 25, 2024 · 95bdff3 · 95bdff3
1 parent e98ce38
commit 95bdff3
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Showing 8 changed files with 26 additions and 26 deletions.
diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -297,7 +297,7 @@ OBJS_HSOLVER=diago_cg.o\
     dngvd_op.o\
 
 OBJS_HSOLVER_LCAO=hsolver_lcao.o\
-      diago_blas.o\
+      diago_scalapack.o\
       diago_elpa.o\
       elpa_new.o\
       elpa_new_real.o\

diff --git a/source/module_hsolver/CMakeLists.txt b/source/module_hsolver/CMakeLists.txt
@@ -13,7 +13,7 @@ list(APPEND objects
 if(ENABLE_LCAO)
   list(APPEND objects
       hsolver_lcao.cpp
-      diago_blas.cpp
+      diago_scalapack.cpp
   )
   if (USE_ELPA)
     list(APPEND objects

diff --git a/source/module_hsolver/diago_blas.cpp → source/module_hsolver/diago_scalapack.cpp b/source/module_hsolver/diago_blas.cpp → source/module_hsolver/diago_scalapack.cpp
@@ -5,7 +5,7 @@
 // DATE : 2022-04-14
 //=====================
 
-#include "diago_blas.h"
+#include "diago_scalapack.h"
 
 #include <cassert>
 #include <cstring>
@@ -21,9 +21,9 @@ typedef hamilt::MatrixBlock<std::complex<double>> matcd;
 namespace hsolver
 {
     template<>
-    void DiagoBlas<double>::diag(hamilt::Hamilt<double>* phm_in, psi::Psi<double>& psi, Real* eigenvalue_in)
+    void DiagoScalapack<double>::diag(hamilt::Hamilt<double>* phm_in, psi::Psi<double>& psi, Real* eigenvalue_in)
 {
-    ModuleBase::TITLE("DiagoElpa", "diag");
+    ModuleBase::TITLE("DiagoScalapack", "diag");
     matd h_mat, s_mat;
     phm_in->matrix(h_mat, s_mat);
     assert(h_mat.col == s_mat.col && h_mat.row == s_mat.row && h_mat.desc == s_mat.desc);
@@ -33,9 +33,9 @@ namespace hsolver
     BlasConnector::copy(GlobalV::NBANDS, eigen.data(), inc, eigenvalue_in, inc);
 }
     template<>
-    void DiagoBlas<std::complex<double>>::diag(hamilt::Hamilt<std::complex<double>>* phm_in, psi::Psi<std::complex<double>>& psi, Real* eigenvalue_in)
+    void DiagoScalapack<std::complex<double>>::diag(hamilt::Hamilt<std::complex<double>>* phm_in, psi::Psi<std::complex<double>>& psi, Real* eigenvalue_in)
 {
-    ModuleBase::TITLE("DiagoElpa", "diag");
+    ModuleBase::TITLE("DiagoScalapack", "diag");
     matcd h_mat, s_mat;
     phm_in->matrix(h_mat, s_mat);
     assert(h_mat.col == s_mat.col && h_mat.row == s_mat.row && h_mat.desc == s_mat.desc);
@@ -46,7 +46,7 @@ namespace hsolver
 }
 
     template<typename T>
-    std::pair<int, std::vector<int>> DiagoBlas<T>::pdsygvx_once(const int* const desc,
+    std::pair<int, std::vector<int>> DiagoScalapack<T>::pdsygvx_once(const int* const desc,
                                                          const int ncol,
                                                          const int nrow,
                                                          const double *const h_mat,
@@ -169,7 +169,7 @@ namespace hsolver
                                  + ModuleBase::GlobalFunc::TO_STRING(__LINE__));
 }
     template<typename T>
-    std::pair<int, std::vector<int>> DiagoBlas<T>::pzhegvx_once(const int* const desc,
+    std::pair<int, std::vector<int>> DiagoScalapack<T>::pzhegvx_once(const int* const desc,
                                                          const int ncol,
                                                          const int nrow,
                                                          const std::complex<double> *const h_mat,
@@ -303,7 +303,7 @@ namespace hsolver
                                  + ModuleBase::GlobalFunc::TO_STRING(__LINE__));
 }
     template<typename T>
-    void DiagoBlas<T>::pdsygvx_diag(const int* const desc,
+    void DiagoScalapack<T>::pdsygvx_diag(const int* const desc,
                              const int ncol,
                              const int nrow,
                              const double *const h_mat,
@@ -321,7 +321,7 @@ namespace hsolver
 }
 
     template<typename T>
-    void DiagoBlas<T> ::pzhegvx_diag(const int* const desc,
+    void DiagoScalapack<T> ::pzhegvx_diag(const int* const desc,
                              const int ncol,
                              const int nrow,
                              const std::complex<double> *const h_mat,
@@ -339,7 +339,7 @@ namespace hsolver
 }
 
     template<typename T>
-    void DiagoBlas<T>::post_processing(const int info, const std::vector<int>& vec)
+    void DiagoScalapack<T>::post_processing(const int info, const std::vector<int>& vec)
 {
     const std::string str_info = "info = " + ModuleBase::GlobalFunc::TO_STRING(info) + ".\n";
     const std::string str_FILE

diff --git a/source/module_hsolver/diago_blas.h → source/module_hsolver/diago_scalapack.h b/source/module_hsolver/diago_blas.h → source/module_hsolver/diago_scalapack.h
@@ -5,8 +5,8 @@
 // DATE : 2022-04-14
 //=====================
 
-#ifndef DIAGOBLAS_H
-#define DIAGOBLAS_H
+#ifndef DIAGO_SCALAPACK_H
+#define DIAGO_SCALAPACK_H
 
 #include <complex>
 #include <utility>
@@ -20,7 +20,7 @@
 namespace hsolver
 {
     template<typename T>
-    class DiagoBlas : public DiagH<T>
+    class DiagoScalapack : public DiagH<T>
 {
 private:
     using Real = typename GetTypeReal<T>::type;

diff --git a/source/module_hsolver/hsolver_lcao.cpp b/source/module_hsolver/hsolver_lcao.cpp
@@ -1,6 +1,6 @@
 #include "hsolver_lcao.h"
 
-#include "diago_blas.h"
+#include "diago_scalapack.h"
 #include "diago_cg.h"
 #include <ATen/core/tensor.h>
 #include <ATen/core/tensor_types.h>
@@ -49,7 +49,7 @@ void HSolverLCAO<T, Device>::solveTemplate(hamilt::Hamilt<T>* pHamilt,
         }
         if (this->pdiagh == nullptr)
         {
-            this->pdiagh = new DiagoBlas<T>();
+            this->pdiagh = new DiagoScalapack<T>();
             this->pdiagh->method = this->method;
         }
     }

diff --git a/source/module_hsolver/test/CMakeLists.txt b/source/module_hsolver/test/CMakeLists.txt
@@ -84,13 +84,13 @@ if(ENABLE_LCAO)
   AddTest(
     TARGET HSolver_LCAO
     LIBS ${math_libs} ELPA::ELPA base genelpa psi device
-    SOURCES diago_lcao_test.cpp ../diago_elpa.cpp ../diago_blas.cpp 
+    SOURCES diago_lcao_test.cpp ../diago_elpa.cpp ../diago_scalapack.cpp 
   )
   else()
     AddTest(
       TARGET HSolver_LCAO
       LIBS ${math_libs} base psi device
-      SOURCES diago_lcao_test.cpp ../diago_blas.cpp 
+      SOURCES diago_lcao_test.cpp ../diago_scalapack.cpp 
     )
   endif()
 
@@ -106,7 +106,7 @@ if (USE_CUDA)
 AddTest(
   TARGET HSolver_LCAO_cusolver
   LIBS ${math_libs}  base psi device 
-  SOURCES diago_lcao_cusolver_test.cpp ../diago_cusolver.cpp ../diago_blas.cpp 
+  SOURCES diago_lcao_cusolver_test.cpp ../diago_cusolver.cpp ../diago_scalapack.cpp 
   ../kernels/math_kernel_op.cpp
   ../kernels/dngvd_op.cpp
   ../kernels/cuda/diag_cusolver.cu

diff --git a/source/module_hsolver/test/diago_lcao_cusolver_test.cpp b/source/module_hsolver/test/diago_lcao_cusolver_test.cpp
@@ -1,7 +1,7 @@
 #include <vector>
 
 #include "gtest/gtest.h"
-#include "module_hsolver/diago_blas.h"
+#include "module_hsolver/diago_scalapack.h"
 #include "module_hsolver/test/diago_elpa_utils.h"
 #include "mpi.h"
 #include "string.h"
@@ -24,7 +24,7 @@
 /**
  * Tested function:
  *  - hsolver::DiagoElpa::diag (for ELPA)
- *  - hsolver::DiagoBlas::diag (for Scalapack)
+ *  - hsolver::DiagoScalapack::diag (for Scalapack)
  *
  * The 2d block cyclic distribution of H/S matrix is done by
  * self-realized functions in module_hsolver/test/diago_elpa_utils.h
@@ -76,7 +76,7 @@ class DiagoPrepare
         MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
 
         if (ks_solver == "scalapack_gvx")
-            dh = new hsolver::DiagoBlas<T>;
+            dh = new hsolver::DiagoScalapack<T>;
 #ifdef __CUDA
         else if (ks_solver == "cusolver")
             dh = new hsolver::DiagoCusolver<T>;

diff --git a/source/module_hsolver/test/diago_lcao_test.cpp b/source/module_hsolver/test/diago_lcao_test.cpp
@@ -1,5 +1,5 @@
 #include "module_hsolver/test/diago_elpa_utils.h"
-#include "module_hsolver/diago_blas.h"
+#include "module_hsolver/diago_scalapack.h"
 #include "mpi.h"
 #include "string.h"
 #include "gtest/gtest.h"
@@ -20,7 +20,7 @@
 /**
  * Tested function:
  *  - hsolver::DiagoElpa::diag (for ELPA)
- *  - hsolver::DiagoBlas::diag (for Scalapack)
+ *  - hsolver::DiagoScalapack::diag (for Scalapack)
  *
  * The 2d block cyclic distribution of H/S matrix is done by 
  * self-realized functions in module_hsolver/test/diago_elpa_utils.h
@@ -60,7 +60,7 @@ template<class T> class DiagoPrepare
         MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
 
         if (ks_solver == "scalapack_gvx")
-            dh = new hsolver::DiagoBlas<T>;
+            dh = new hsolver::DiagoScalapack<T>;
 #ifdef __ELPA
         else if(ks_solver == "genelpa")
             dh = new hsolver::DiagoElpa<T>;