Migrate exx_info (#6896)

* Refactor: Encapsulate timer functionality in timer_wrapper.h

* Refactor timer code and clean_esolver function

1. Remove #ifdef __MPI from timer code, encapsulate in timer_wrapper.h
2. Move ESolver clean logic to after_all_runners method
3. Replace clean_esolver calls with direct delete p_esolver
4. Remove #ifdef __MPI from delete p_esolver
5. Add Cblacs_exit(1) in after_all_runners for LCAO calculations

* Refactor: Move heterogeneous parallel code to source_base/module_device

* Refactor heterogeneous parallel code and migrate exx_info to module_xc

1. Refactor global.h:
   - Removed heterogeneous parallel code (CUDA/ROCm error checking macros)
   - Added include for source_base/module_device/device_check.h
   - Removed GlobalC::exx_info declaration

2. Migrate exx_info:
   - Added GlobalC::exx_info declaration to exx_info.h
   - Created exx_info.cpp with GlobalC::exx_info definition
   - Removed exx_info definition from global.cpp
   - Removed duplicate exx_info definition from exx_helper.cpp

3. Update build system:
   - Added exx_info.cpp to xc_ library in CMakeLists.txt
   - Added exx_info.o to OBJS_XC in Makefile.Objects
   - Fixed formatting in Makefile.Objects

4. Ensure compatibility:
   - Verify pure PW compilation works with exx_info.cpp
   - Verify GPU compilation works with refactored code

This refactoring improves code modularity by separating heterogeneous parallel functionality from global variables and moving EXX-related global variables to their own module.

---------

Co-authored-by: abacus_fixer <mohanchen@pku.eud.cn>

Author: mohanchen

source/Makefile.Objects

@@ -510,6 +510,7 @@ OBJS_XC=xc_functional.o\
     xc_funct_exch_gga.o\
     xc_funct_corr_gga.o\
     xc_funct_hcth.o\
+    exx_info.o\
 
 OBJS_IO=input_conv.o\
     berryphase.o\

source/source_hamilt/module_xc/CMakeLists.txt

@@ -17,6 +17,7 @@ add_library(
     xc_functional_libxc_wrapper_xc.cpp
     xc_functional_libxc_wrapper_gcxc.cpp
     xc_functional_libxc_wrapper_tauxc.cpp
+    exx_info.cpp
 )
 
 if(ENABLE_COVERAGE)

source/source_hamilt/module_xc/exx_info.cpp

@@ -0,0 +1,9 @@
+#include "exx_info.h"
+
+//----------------------------------------------------------
+// init "GLOBAL CLASS" object
+//----------------------------------------------------------
+namespace GlobalC
+{
+    Exx_Info exx_info;
+}

source/source_hamilt/module_xc/exx_info.h

@@ -95,4 +95,12 @@ struct Exx_Info
     }
 };
 
+//==========================================================
+// EXPLAIN : define "GLOBAL CLASS"
+//==========================================================
+namespace GlobalC
+{
+    extern Exx_Info exx_info;
+} // namespace GlobalC
+
 #endif

source/source_pw/module_pwdft/global.cpp

@@ -4,9 +4,6 @@
 //----------------------------------------------------------
 namespace GlobalC
 {
-#ifdef __EXX
-    Exx_Info exx_info;
-#endif
 Restart restart; // Peize Lin add 2020.04.04
 }
 

source/source_pw/module_pwdft/global.h

@@ -18,12 +18,6 @@
 //==========================================================
 // EXPLAIN : define "GLOBAL CLASS"
 //==========================================================
-namespace GlobalC
-{
-//#ifdef __EXX
-    extern Exx_Info exx_info;
-//#endif
-} // namespace GlobalC
 
 #include "source_cell/parallel_kpoints.h"
 #include "source_cell/unitcell.h"

source/source_pw/module_pwdft/module_exx_helper/exx_helper.cpp

@@ -57,10 +57,3 @@ template class Exx_Helper<std::complex<float>, base_device::DEVICE_GPU>;
 template class Exx_Helper<std::complex<double>, base_device::DEVICE_GPU>;
 #endif
 
-#ifndef __EXX
-#include "source_hamilt/module_xc/exx_info.h"
-namespace GlobalC
-{
-    Exx_Info exx_info;
-}
-#endif