Refactor:Use PARAM instead of GlobalV::dir* (#5097)

* change bcast * change parameter global out dir in the cpp file * fix delete bug in bcast file * change parameter global_out_dir in test file * add parameter in the test file * change parameter global_readin_dir in the bcast file * change parameter global_readin_dir in the cpp file * change parameter global_readin_dir in the test file * change parameter global_stru_dir in the cpp& test file * change parameter global_matix_dir in the cpp& test file
deepmodeling · Sep 14, 2024 · 03c2582 · 03c2582
1 parent 828b926
commit 03c2582
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diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -522,7 +522,7 @@ OBJS_IO=input_conv.o\
     read_input_item_exx_dftu.o\
     read_input_item_other.o\
     read_input_item_output.o\
-    bcast_globalv.o\
+    read_set_globalv.o\
 
 OBJS_IO_LCAO=cal_r_overlap_R.o\
       write_orb_info.o\

diff --git a/source/driver.cpp b/source/driver.cpp
@@ -106,8 +106,8 @@ void Driver::print_start_info()
     std::cout << std::setiosflags(std::ios::left);
 
     GlobalV::ofs_running << "\n READING GENERAL INFORMATION" << std::endl;
-    ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "global_out_dir", GlobalV::global_out_dir);
-    ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "global_in_card", GlobalV::global_in_card);
+    ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "global_out_dir", PARAM.globalv.global_out_dir);
+    ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "global_in_card", PARAM.globalv.global_in_card);
 }
 
 void Driver::reading()
@@ -119,15 +119,15 @@ void Driver::reading()
 
     // (1) read the input file
     ModuleIO::ReadInput read_input(PARAM.globalv.myrank);
-    read_input.read_parameters(PARAM, GlobalV::global_in_card);
+    read_input.read_parameters(PARAM, PARAM.globalv.global_in_card);
 
     // (2) create the output directory, running_*.log and print info
     read_input.create_directory(PARAM);
     this->print_start_info();
 
     // (3) write the input file
     std::stringstream ss1;
-    ss1 << GlobalV::global_out_dir << GlobalV::global_in_card;
+    ss1 << PARAM.globalv.global_out_dir << PARAM.globalv.global_in_card;
     read_input.write_parameters(PARAM, ss1.str());
 
     // (*temp*) copy the variables from INPUT to each class

diff --git a/source/module_base/global_file.cpp b/source/module_base/global_file.cpp
@@ -1,16 +1,17 @@
 //==========================================================
 // AUTHOR : mohan
+
 // DATE : 2008-11-10
 //==========================================================
 #include "global_file.h"
 
 #ifdef __MPI
 #include <mpi.h>
 #endif
-
 #include <unistd.h>
 #include <sstream>
 #include "global_function.h"
+#include "module_parameter/parameter.h"
 #include "global_variable.h"
 #include "module_base/parallel_common.h"
 #include "module_base/parallel_reduce.h"
@@ -33,28 +34,12 @@ void ModuleBase::Global_File::make_dir_out(
 // NAME : system
 //----------------------------------------------------------
 
-    std::string prefix ;
-
-#ifdef __EPM
-#ifdef __MPI
-    prefix = "OUT_EPM_MPI.";
-#else
-    prefix = "OUT_EPM.";
-#endif
-#else
-    prefix = "OUT.";
-#endif
-
-    GlobalV::global_out_dir = prefix + suffix + "/";
-    GlobalV::global_stru_dir = GlobalV::global_out_dir + "STRU/";
-    GlobalV::global_matrix_dir = GlobalV::global_out_dir + "matrix/";
-
 #ifdef __MPI
     MPI_Barrier(MPI_COMM_WORLD);
 #endif
     int make_dir = 0;
 	// mohan update 2011-05-03
-    std::string command0 =  "test -d " + GlobalV::global_out_dir + " || mkdir " + GlobalV::global_out_dir;
+    std::string command0 =  "test -d " + PARAM.globalv.global_out_dir + " || mkdir " + PARAM.globalv.global_out_dir;
 
 	int times = 0;
 	while(times<GlobalV::NPROC)
@@ -63,7 +48,7 @@ void ModuleBase::Global_File::make_dir_out(
 		{
 			if ( system( command0.c_str() ) == 0 )
 			{
-				std::cout << " MAKE THE DIR         : " << GlobalV::global_out_dir << std::endl;
+				std::cout << " MAKE THE DIR         : " << PARAM.globalv.global_out_dir << std::endl;
 				make_dir = 1;
 			}
 			else
@@ -92,7 +77,7 @@ void ModuleBase::Global_File::make_dir_out(
     if(calculation == "md")
     {
         int make_dir_stru = 0;
-        std::string command1 =  "test -d " + GlobalV::global_stru_dir + " || mkdir " + GlobalV::global_stru_dir;
+        std::string command1 =  "test -d " + PARAM.globalv.global_stru_dir + " || mkdir " + PARAM.globalv.global_stru_dir;
 
         times = 0;
         while(times<GlobalV::NPROC)
@@ -101,7 +86,7 @@ void ModuleBase::Global_File::make_dir_out(
             {
                 if ( system( command1.c_str() ) == 0 )
                 {
-                    std::cout << " MAKE THE STRU DIR    : " << GlobalV::global_stru_dir << std::endl;
+                    std::cout << " MAKE THE STRU DIR    : " << PARAM.globalv.global_stru_dir << std::endl;
                     make_dir_stru = 1;
                 }
                 else
@@ -132,7 +117,7 @@ void ModuleBase::Global_File::make_dir_out(
     if((out_dir) && calculation == "md")
     {
         int make_dir_matrix = 0;
-        std::string command1 =  "test -d " + GlobalV::global_matrix_dir + " || mkdir " + GlobalV::global_matrix_dir;
+        std::string command1 =  "test -d " + PARAM.globalv.global_matrix_dir + " || mkdir " + PARAM.globalv.global_matrix_dir;
 
         times = 0;
         while(times<GlobalV::NPROC)
@@ -141,7 +126,7 @@ void ModuleBase::Global_File::make_dir_out(
             {
                 if ( system( command1.c_str() ) == 0 )
                 {
-                    std::cout << " MAKE THE MATRIX DIR    : " << GlobalV::global_stru_dir << std::endl;
+                    std::cout << " MAKE THE MATRIX DIR    : " << PARAM.globalv.global_stru_dir << std::endl;
                     make_dir_matrix = 1;
                 }
                 else
@@ -209,7 +194,7 @@ void ModuleBase::Global_File::make_dir_atom(const std::string &label)
 // EXPLAIN : generate atom dir for each type of atom
 //----------------------------------------------------------
     std::stringstream ss;
-    ss << GlobalV::global_out_dir << label << "/";
+    ss << PARAM.globalv.global_out_dir << label << "/";
     ModuleBase::GlobalFunc::MAKE_DIR(ss.str());
     return;
 }
@@ -218,10 +203,10 @@ void ModuleBase::Global_File::open_log(std::ofstream &ofs, const std::string &fn
 {
 //----------------------------------------------------------
 // USE GLOBAL VARIABLE :
-// GlobalV::global_out_dir : (default dir to store "*.log" file)
+// PARAM.globalv.global_out_dir : (default dir to store "*.log" file)
 //----------------------------------------------------------
     std::stringstream ss;
-    ss << GlobalV::global_out_dir << fn << ".log";
+    ss << PARAM.globalv.global_out_dir << fn << ".log";
 
     if(calculation == "md" && restart)
     {
@@ -296,9 +281,9 @@ void ModuleBase::Global_File::delete_tmp_files()
     {
         for (int is = 0; is < GlobalV::NSPIN; ++is)
         {
-            std::string tmp_chg_1 = GlobalV::global_out_dir + "NOW_SPIN" + std::to_string(is + 1) + "_CHG.cube";
-            std::string tmp_chg_2 = GlobalV::global_out_dir + "OLD1_SPIN" + std::to_string(is + 1) + "_CHG.cube";
-            std::string tmp_chg_3 = GlobalV::global_out_dir + "OLD2_SPIN" + std::to_string(is + 1) + "_CHG.cube";
+            std::string tmp_chg_1 = PARAM.globalv.global_out_dir + "NOW_SPIN" + std::to_string(is + 1) + "_CHG.cube";
+            std::string tmp_chg_2 = PARAM.globalv.global_out_dir + "OLD1_SPIN" + std::to_string(is + 1) + "_CHG.cube";
+            std::string tmp_chg_3 = PARAM.globalv.global_out_dir + "OLD2_SPIN" + std::to_string(is + 1) + "_CHG.cube";
 
             if (access(tmp_chg_1.c_str(), 0) == 0)
             {

diff --git a/source/module_base/global_variable.cpp b/source/module_base/global_variable.cpp
@@ -72,29 +72,13 @@ int GSIZE = DSIZE;
 //----------------------------------------------------------
 std::string global_in_card = "INPUT";
 std::string stru_file = "STRU";
-std::string global_kpoint_card = "KPT";
 
 
-// std::string global_pseudo_type = "auto";
-std::string global_out_dir;
-std::string global_readin_dir; // zhengdy modified
-std::string global_stru_dir;
-std::string global_matrix_dir;
-
 std::ofstream ofs_running;
 std::ofstream ofs_warning;
 std::ofstream ofs_info;   // output math lib info
 std::ofstream ofs_device; // output device info
 
-//----------------------------------------------------------
-// EXPLAIN : test level for each class
-//----------------------------------------------------------
-//----------------------------------------------------------
-// module_hamilt_lcao/hamilt_lcaodft
-//----------------------------------------------------------
-//----------------------------------------------------------
-// src_pseudo
-//----------------------------------------------------------
 //----------------------------------------------------------
 // src_tools
 //----------------------------------------------------------
@@ -106,7 +90,6 @@ bool DOMAG = false;
 bool DOMAG_Z = false;
 int NPOL = 1;
 
-
 bool deepks_out_labels = false; // caoyu add 2021-10-16 for DeePKS, wenfei 2022-1-16
 bool deepks_scf = false; // caoyu add 2021-10-16 for DeePKS, wenfei 2022-1-16
 bool deepks_bandgap = false; // for bandgap label. QO added 2021-12-15
@@ -116,36 +99,17 @@ bool deepks_equiv = false;
 
 bool deepks_setorb = false;
 
-
-
-
-// Xinyang Dong added for rpa
 std::vector<std::string> rpa_orbitals;
 
-
-// mixing parameters
-
 //==========================================================
 // device flags added by denghui
 //==========================================================
 std::string device_flag = "unknown";
-//==========================================================
-// precision flags added by denghui
-//==========================================================
 
 int out_pot = 0;
 
-
-
 double nelec = 0;
 
-//==========================================================
-// Deltaspin related
-//==========================================================
-
-//==========================================================
-// Quasiatomic orbital related
-//==========================================================
 
 // on-site orbitals
 } // namespace GlobalV
diff --git a/source/module_base/global_variable.h b/source/module_base/global_variable.h
@@ -54,8 +54,6 @@ extern double DQ; // 19 mohan add 2009-09-10
 extern int NQX;   // 20 mohan add 2009-09-10
 extern int NQXQ;  // liuyu add 2023-10-03
 
-extern bool GAMMA_ONLY_PW;    // mohan add 2012-06-05
-
 
 //========================================================================
 // EXPLAIN : Parallel information
@@ -114,12 +112,6 @@ extern std::string global_kpoint_card;
 
 // extern std::string global_pseudo_type; // mohan add 2013-05-20 (xiaohui add
 // 2013-06-23)
-extern std::string global_out_dir;
-extern std::string global_readin_dir;  // zhengdy modified
-extern std::string global_stru_dir;    // liuyu add 2022-05-24 for MD STRU
-extern std::string global_matrix_dir;  // liuyu add 2022-09-19 for HS matrix outpu, jiyy
-                                       // modified 2023-01-23 for R matrix output
-
 extern std::ofstream ofs_running;
 extern std::ofstream ofs_warning;
 extern std::ofstream ofs_info;

diff --git a/source/module_base/kernels/test/CMakeLists.txt b/source/module_base/kernels/test/CMakeLists.txt
@@ -2,7 +2,7 @@ remove_definitions(-D__MPI)
 
 AddTest(
     TARGET Base_Kernels_UTs
-    LIBS ${math_libs} base device
+    LIBS parameter ${math_libs} base device 
     SOURCES math_op_test.cpp
 )
 
diff --git a/source/module_base/module_container/ATen/kernels/test/CMakeLists.txt b/source/module_base/module_container/ATen/kernels/test/CMakeLists.txt
@@ -1,6 +1,6 @@
 AddTest(
   TARGET container_kernels_uts
-  LIBS ${math_libs}
+  LIBS parameter ${math_libs}
   SOURCES blas_test.cpp lapack_test.cpp
   memory_test.cpp linalg_test.cpp
 )

diff --git a/source/module_base/module_container/ATen/ops/test/CMakeLists.txt b/source/module_base/module_container/ATen/ops/test/CMakeLists.txt
@@ -1,6 +1,6 @@
 AddTest(
   TARGET container_ops_uts
-  LIBS ${math_libs}
+  LIBS parameter ${math_libs} 
   SOURCES einsum_op_test.cpp linalg_op_test.cpp
 )
 

diff --git a/source/module_base/module_container/test/CMakeLists.txt b/source/module_base/module_container/test/CMakeLists.txt
@@ -2,7 +2,7 @@ remove_definitions(-D__MPI)
 
 AddTest(
   TARGET container_uts
-  LIBS container base device ${math_libs}
+  LIBS parameter container base device ${math_libs}
   SOURCES tensor_test.cpp tensor_shape_test.cpp allocator_test.cpp
   tensor_buffer_test.cpp tensor_map_test.cpp
   tensor_utils_test.cpp tensor_accessor_test.cpp

diff --git a/source/module_base/module_device/test/CMakeLists.txt b/source/module_base/module_device/test/CMakeLists.txt
@@ -1,5 +1,5 @@
 AddTest(
   TARGET Module_Device_UTs
-  LIBS ${math_libs} base device
+  LIBS parameter ${math_libs} base device 
   SOURCES memory_test.cpp device_test.cpp
 )
diff --git a/source/module_base/module_mixing/test/CMakeLists.txt b/source/module_base/module_mixing/test/CMakeLists.txt
@@ -1,6 +1,6 @@
 remove_definitions(-D__MPI)
 AddTest(
   TARGET test_mixing
-  LIBS base device ${math_libs}
+  LIBS parameter base device ${math_libs} 
   SOURCES mixing_test.cpp
 )