fix bug in the bcast

A-006 · A-006 · commit 8170924a51c5 · 2025-01-04T17:16:24.000+08:00
diff --git a/source/module_cell/atom_spec.cpp b/source/module_cell/atom_spec.cpp
@@ -146,7 +146,7 @@ void Atom::bcast_atom()
     return;
 }
 
-void Atom::bcast_atom_()
+void Atom::bcast_atom2()
 {
     this->ncpp.bcast_atom_pseudo();
 }
diff --git a/source/module_cell/bcast_cell.cpp b/source/module_cell/bcast_cell.cpp
@@ -21,7 +21,8 @@ namespace unitcell
     void bcast_atoms_pseudo(Atom* atoms,
                                  const int ntype)
     {
-    #ifndef __MPI
+    #ifdef __MPI
+        MPI_Barrier(MPI_COMM_WORLD);
         for (int i = 0; i < ntype; i++) 
         {
             atoms[i].bcast_atom2();
@@ -32,6 +33,7 @@ namespace unitcell
     void bcast_Lattice(Lattice& lat)
     {
     #ifdef __MPI
+        MPI_Barrier(MPI_COMM_WORLD);
         // distribute lattice parameters.
         ModuleBase::Matrix3& latvec = lat.latvec;
         ModuleBase::Matrix3& latvec_supercell = lat.latvec_supercell;
@@ -82,6 +84,7 @@ namespace unitcell
     void bcast_magnetism(Magnetism& magnet, const int ntype)
     {
     #ifdef __MPI
+        MPI_Barrier(MPI_COMM_WORLD);
         Parallel_Common::bcast_double(magnet.start_magnetization, ntype);
         if (PARAM.inp.nspin == 4) 
         {
diff --git a/source/module_cell/bcast_cell.h b/source/module_cell/bcast_cell.h
@@ -12,6 +12,7 @@ namespace unitcell
      */
     void bcast_atoms_tau(Atom* atoms,
                      const int ntype);
+                     
     /**
      * @brief broadcast the pseduo of the atoms
      * 
diff --git a/source/module_elecstate/read_pseudo.cpp b/source/module_elecstate/read_pseudo.cpp
@@ -136,7 +136,7 @@ void read_pseudo(std::ofstream& ofs, UnitCell& ucell) {
     }
 
 #ifdef __MPI
-    unitcell::bcast_atoms_pseduo(ucell.atoms,ucell.ntype);
+    unitcell::bcast_atoms_pseudo(ucell.atoms,ucell.ntype);
 #endif
 
     for (int it = 0; it < ucell.ntype; it++) {

Original file line number	Diff line number	Diff line change
`@@ -146,7 +146,7 @@ void Atom::bcast_atom()`
`146`	`146`	`return;`
`147`	`147`	`}`
`148`	`148`
`149`		`-void Atom::bcast_atom_()`
	`149`	`+void Atom::bcast_atom2()`
`150`	`150`	`{`
`151`	`151`	`this->ncpp.bcast_atom_pseudo();`
`152`	`152`	`}`
Original file line number	Diff line number	Diff line change
`@@ -21,7 +21,8 @@ namespace unitcell`
`21`	`21`	`void bcast_atoms_pseudo(Atom* atoms,`
`22`	`22`	`const int ntype)`
`23`	`23`	`{`
`24`		`- #ifndef __MPI`
	`24`	`+ #ifdef __MPI`
	`25`	`+ MPI_Barrier(MPI_COMM_WORLD);`
`25`	`26`	`for (int i = 0; i < ntype; i++)`
`26`	`27`	`{`
`27`	`28`	`atoms[i].bcast_atom2();`
`@@ -32,6 +33,7 @@ namespace unitcell`
`32`	`33`	`void bcast_Lattice(Lattice& lat)`
`33`	`34`	`{`
`34`	`35`	`#ifdef __MPI`
	`36`	`+ MPI_Barrier(MPI_COMM_WORLD);`
`35`	`37`	`// distribute lattice parameters.`
`36`	`38`	`ModuleBase::Matrix3& latvec = lat.latvec;`
`37`	`39`	`ModuleBase::Matrix3& latvec_supercell = lat.latvec_supercell;`
`@@ -82,6 +84,7 @@ namespace unitcell`
`82`	`84`	`void bcast_magnetism(Magnetism& magnet, const int ntype)`
`83`	`85`	`{`
`84`	`86`	`#ifdef __MPI`
	`87`	`+ MPI_Barrier(MPI_COMM_WORLD);`
`85`	`88`	`Parallel_Common::bcast_double(magnet.start_magnetization, ntype);`
`86`	`89`	`if (PARAM.inp.nspin == 4)`
`87`	`90`	`{`
Original file line number	Diff line number	Diff line change
`@@ -12,6 +12,7 @@ namespace unitcell`
`12`	`12`	`*/`
`13`	`13`	`void bcast_atoms_tau(Atom* atoms,`
`14`	`14`	`const int ntype);`
	`15`	`+`
`15`	`16`	`/**`
`16`	`17`	`* @brief broadcast the pseduo of the atoms`
`17`	`18`	`*`
Original file line number	Diff line number	Diff line change
`@@ -136,7 +136,7 @@ void read_pseudo(std::ofstream& ofs, UnitCell& ucell) {`
`136`	`136`	`}`
`137`	`137`
`138`	`138`	`#ifdef __MPI`
`139`		`- unitcell::bcast_atoms_pseduo(ucell.atoms,ucell.ntype);`
	`139`	`+ unitcell::bcast_atoms_pseudo(ucell.atoms,ucell.ntype);`
`140`	`140`	`#endif`
`141`	`141`
`142`	`142`	`for (int it = 0; it < ucell.ntype; it++) {`