Temp debug info print

Author: AsTonyshment

source/module_hamilt_lcao/hamilt_lcaodft/spar_hsr.cpp

@@ -84,6 +84,11 @@ void sparse_format::cal_HSR(const UnitCell& ucell,
 {
     ModuleBase::TITLE("sparse_format", "cal_HSR");
 
+    int my_rank = 0;
+    int nproc = 1;
+    MPI_Comm_rank(MPI_COMM_WORLD, &my_rank);
+    MPI_Comm_size(MPI_COMM_WORLD, &nproc);
+
     // sparse_format::set_R_range(HS_Arrays.all_R_coor, grid);
 
     const int nspin = PARAM.inp.nspin;
@@ -99,6 +104,20 @@ void sparse_format::cal_HSR(const UnitCell& ucell,
 #ifdef __MPI
         // Fix: Sync all_R_coor across processes
         sparse_format::sync_all_R_coor(HS_Arrays.all_R_coor, MPI_COMM_WORLD);
+
+        //===================== MPI debug =====================//
+        std::string debug_file = "debug_fix_rank_" + std::to_string(my_rank) + ".log";
+        std::ofstream fout(debug_file, std::ios::app);
+
+        fout << "Process " << my_rank + 1 << "/" << nproc
+             << ": HS_Arrays.all_R_coor.size() = " << HS_Arrays.all_R_coor.size() << std::endl;
+        for (const auto& R: HS_Arrays.all_R_coor)
+        {
+            fout << "R = (" << R.x << ", " << R.y << ", " << R.z << ")" << std::endl;
+        }
+        fout.close();
+        MPI_Barrier(MPI_COMM_WORLD);
+        //===================== debug end =====================//
 #endif
 
         if (TD_Velocity::tddft_velocity)