Refactor: remove GlobalV in some parallel classes (#4445)

* remove globalV in divide_pools * remove globalv in split_grid(diag)_world * refactor init_pool * remove globalv in finalize_mpi * remove globalv in read_mpi_parameters * remove globalv in parallel_common * fix parallel_common_test * remove globalv in reduce_double_allpool * remove globalv in parallel_reduce * remove globalv in parallel_reduce_test * refactor read_mpi_parameters * remove globalv in parallel_global_test * remove globalv in parallel_kpoints * remove globalv in parallel_kpoints * update parallel_kpoints_test.cpp * [pre-commit.ci lite] apply automatic fixes * fix err * [pre-commit.ci lite] apply automatic fixes * restore bcast_string and bcast_bool * [pre-commit.ci lite] apply automatic fixes * [pre-commit.ci lite] apply automatic fixes --------- Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
deepmodeling · Jun 22, 2024 · bdb2178 · bdb2178
1 parent e6a5c35
commit bdb2178
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Showing 48 changed files with 6,846 additions and 6,179 deletions.
diff --git a/source/driver.cpp b/source/driver.cpp
@@ -59,8 +59,17 @@ void Driver::reading()
     Input_Conv::Convert();
 
     // (3) define the 'DIAGONALIZATION' world in MPI
-    Parallel_Global::split_diag_world(GlobalV::DIAGO_PROC);
-    Parallel_Global::split_grid_world(GlobalV::DIAGO_PROC);
+    Parallel_Global::split_diag_world(GlobalV::DIAGO_PROC,
+                                      GlobalV::NPROC,
+                                      GlobalV::MY_RANK,
+                                      GlobalV::DRANK,
+                                      GlobalV::DSIZE,
+                                      GlobalV::DCOLOR);
+    Parallel_Global::split_grid_world(GlobalV::DIAGO_PROC,
+                                      GlobalV::NPROC,
+                                      GlobalV::MY_RANK,
+                                      GlobalV::GRANK,
+                                      GlobalV::GSIZE);
     ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DRANK", GlobalV::DRANK + 1);
     ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DSIZE", GlobalV::DSIZE);
     ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DCOLOR", GlobalV::DCOLOR + 1);
@@ -69,7 +78,16 @@ void Driver::reading()
 
 #ifdef __MPI
     // (4)  divide the GlobalV::NPROC processors into GlobalV::KPAR for k-points parallelization.
-    Parallel_Global::init_pools();
+    Parallel_Global::init_pools(GlobalV::NPROC,
+                                GlobalV::MY_RANK,
+                                GlobalV::NSTOGROUP,
+                                GlobalV::KPAR,
+                                GlobalV::NPROC_IN_STOGROUP,
+                                GlobalV::RANK_IN_STOGROUP,
+                                GlobalV::MY_STOGROUP,
+                                GlobalV::NPROC_IN_POOL,
+                                GlobalV::RANK_IN_POOL,
+                                GlobalV::MY_POOL);
 #endif
 
     // (5) Read in parameters about wannier functions.

diff --git a/source/main.cpp b/source/main.cpp
@@ -4,9 +4,10 @@
 //==========================================================
 
 #include "driver.h"
+#include "fftw3.h"
+#include "module_base/global_variable.h"
 #include "module_base/parallel_global.h"
 #include "module_io/parse_args.h"
-#include "fftw3.h"
 #ifdef _OPENMP
 #include <omp.h>
 #endif
@@ -24,11 +25,11 @@ int main(int argc, char** argv)
     read the mpi parameters in the command-line,
     initialize the mpi environment.
     */
-    Parallel_Global::read_mpi_parameters(argc, argv);
+    Parallel_Global::read_mpi_parameters(argc, argv, GlobalV::NPROC, GlobalV::MY_RANK);
 #ifdef _OPENMP
     // ref: https://www.fftw.org/fftw3_doc/Usage-of-Multi_002dthreaded-FFTW.html
-	fftw_init_threads();
-	fftw_plan_with_nthreads(omp_get_max_threads());
+    fftw_init_threads();
+    fftw_plan_with_nthreads(omp_get_max_threads());
 #endif
 
     /*
@@ -44,7 +45,7 @@ int main(int argc, char** argv)
     Parallel_Global::finalize_mpi();
 #endif
 #ifdef _OPENMP
-	fftw_cleanup_threads();
+    fftw_cleanup_threads();
 #endif
 
     return 0;

diff --git a/source/module_base/parallel_common.cpp b/source/module_base/parallel_common.cpp
@@ -6,71 +6,73 @@
 
 #include <cstring>
 
-#include "module_base/global_variable.h"
-
 #ifdef __MPI
-void Parallel_Common::bcast_string(std::string &object) // Peize Lin fix bug 2019-03-18
+void Parallel_Common::bcast_string(std::string& object) // Peize Lin fix bug 2019-03-18
 {
     int size = object.size();
     MPI_Bcast(&size, 1, MPI_INT, 0, MPI_COMM_WORLD);
-    char *swap = new char[size + 1];
-    if (0 == GlobalV::MY_RANK)
+    char* swap = new char[size + 1];
+    int my_rank;
+    MPI_Comm_rank(MPI_COMM_WORLD, &my_rank);
+    if (0 == my_rank)
         strcpy(swap, object.c_str());
     MPI_Bcast(swap, size + 1, MPI_CHAR, 0, MPI_COMM_WORLD);
-    if (0 != GlobalV::MY_RANK)
+    if (0 != my_rank)
         object = static_cast<std::string>(swap);
     delete[] swap;
     return;
 }
 
-void Parallel_Common::bcast_string(std::string *object, const int n) // Peize Lin fix bug 2019-03-18
+void Parallel_Common::bcast_string(std::string* object, const int n) // Peize Lin fix bug 2019-03-18
 {
     for (int i = 0; i < n; i++)
         bcast_string(object[i]);
     return;
 }
 
-void Parallel_Common::bcast_complex_double(std::complex<double> &object)
+void Parallel_Common::bcast_complex_double(std::complex<double>& object)
 {
     MPI_Bcast(&object, 1, MPI_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_complex_double(std::complex<double> *object, const int n)
+void Parallel_Common::bcast_complex_double(std::complex<double>* object, const int n)
 {
     MPI_Bcast(object, n, MPI_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_double(double &object)
+void Parallel_Common::bcast_double(double& object)
 {
     MPI_Bcast(&object, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_double(double *object, const int n)
+void Parallel_Common::bcast_double(double* object, const int n)
 {
     MPI_Bcast(object, n, MPI_DOUBLE, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_int(int &object)
+void Parallel_Common::bcast_int(int& object)
 {
     MPI_Bcast(&object, 1, MPI_INT, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_int(int *object, const int n)
+void Parallel_Common::bcast_int(int* object, const int n)
 {
     MPI_Bcast(object, n, MPI_INT, 0, MPI_COMM_WORLD);
 }
 
-void Parallel_Common::bcast_bool(bool &object)
+void Parallel_Common::bcast_bool(bool& object)
 {
     int swap = object;
-    if (GlobalV::MY_RANK == 0)
+    int my_rank;
+    MPI_Comm_rank(MPI_COMM_WORLD, &my_rank);
+    if (my_rank == 0)
         swap = object;
     MPI_Bcast(&swap, 1, MPI_INT, 0, MPI_COMM_WORLD);
-    if (GlobalV::MY_RANK != 0)
+    if (my_rank != 0)
         object = static_cast<bool>(swap);
 }
 
-void Parallel_Common::bcast_char(char *object, const int n)
+void Parallel_Common::bcast_char(char* object, const int n)
 {
     MPI_Bcast(object, n, MPI_CHAR, 0, MPI_COMM_WORLD);
 }

diff --git a/source/module_base/parallel_common.h b/source/module_base/parallel_common.h
@@ -1,5 +1,5 @@
-#ifndef PARALLEL_COMMON_H
-#define PARALLEL_COMMON_H
+#ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_BASE_PARALLEL_COMMON_H
+#define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_BASE_PARALLEL_COMMON_H
 
 #ifdef __MPI
 #include "mpi.h"
@@ -9,20 +9,20 @@
 
 namespace Parallel_Common
 {
-	//(1) bcast array
-	void bcast_complex_double( std::complex<double> *object, const int n);
-	void bcast_string(std::string *object,const int n);
-	void bcast_double(double *object,const int n);
-	void bcast_int(int *object,const int n);
-	void bcast_char(char *object,const int n);
-
-	//(2) bcast single
-	void bcast_complex_double( std::complex<double> &object);
-	void bcast_string(std::string &object);
-	void bcast_double(double &object);
-	void bcast_int(int &object);
-	void bcast_bool(bool &object);
+//(1) bcast array
+void bcast_complex_double(std::complex<double>* object, const int n);
+void bcast_string(std::string* object, const int n);
+void bcast_double(double* object, const int n);
+void bcast_int(int* object, const int n);
+void bcast_char(char* object, const int n);
 
-}
+//(2) bcast single
+void bcast_complex_double(std::complex<double>& object);
+void bcast_string(std::string& object);
+void bcast_double(double& object);
+void bcast_int(int& object);
+void bcast_bool(bool& object);
+
+} // namespace Parallel_Common
 
 #endif