fix compiling fail after merging

Author: Qianruipku

source/module_hsolver/test/CMakeLists.txt

@@ -5,14 +5,14 @@ AddTest(
   LIBS ${math_libs} base 
   SOURCES diago_cg_test.cpp ../diago_cg.cpp  ../diago_iter_assist.cpp ../../module_hamilt/hamilt_pw.cpp 
           ../../module_psi/psi.cpp  ../../src_parallel/parallel_reduce.cpp
-          ../../src_parallel/parallel_global.cpp ../../module_pw/unittest/test_tool.cpp
+          ../../src_parallel/parallel_global.cpp ../../module_pw/test/test_tool.cpp
 )
 AddTest(
   TARGET HSolver_dav
   LIBS ${math_libs} base 
   SOURCES diago_david_test.cpp ../diago_david.cpp  ../diago_iter_assist.cpp ../../module_hamilt/hamilt_pw.cpp 
           ../../module_psi/psi.cpp  ../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_global.cpp 
-          ../../module_pw/unittest/test_tool.cpp
+          ../../module_pw/test/test_tool.cpp
 )
 AddTest(
   TARGET HSolver_LCAO

source/module_hsolver/test/diago_cg_test.cpp

@@ -8,7 +8,7 @@
 #include "../diago_iter_assist.h"
 #include "diago_mock.h"
 #include "mpi.h"
-#include "module_pw/unittest/test_tool.h"
+#include "module_pw/test/test_tool.h"
 #include <complex>
 
 #include "gtest/gtest.h"

source/module_hsolver/test/diago_david_test.cpp

@@ -7,7 +7,7 @@
 #include"gtest/gtest.h"
 #include "module_base/inverse_matrix.h"
 #include "module_base/lapack_connector.h"
-#include "module_pw/unittest/test_tool.h"
+#include "module_pw/test/test_tool.h"
 #include"mpi.h"
 
 #define CONVTHRESHOLD 1e-3

source/module_pw/test/pw_test.cpp

@@ -33,14 +33,14 @@ class TestEnv : public testing::Environment
 int main(int argc, char **argv) 
 {
 
-    int npool;
-    npool = 1;
+    int kpar;
+    kpar = 1;
 #ifdef __MPI
     int nproc, myrank,mypool;
     setupmpi(argc,argv,nproc, myrank);
-    divide_pools(nproc, myrank, nproc_in_pool, npool, mypool, rank_in_pool);
+    divide_pools(nproc, myrank, nproc_in_pool, kpar, mypool, rank_in_pool);
 #else
-    nproc_in_pool = npool = 1;
+    nproc_in_pool = kpar = 1;
     rank_in_pool = 0;
 #endif
     int result = 0;

source/module_pw/test/test_tool.cpp

@@ -18,7 +18,7 @@ void setupmpi(int argc,char **argv,int &nproc, int &myrank)
 	MPI_Aint dipc[2]={0,sizeof(double)};
 
 	// MPI_Type_struct: create a struct datatype
-	MPI_Type_struct(
+	MPI_Type_create_struct(
 	2,// count: number of blocks(integer)
 	ac,//number of element in each block(array)
 	dipc,//byte displacement of each block
@@ -30,36 +30,36 @@ void setupmpi(int argc,char **argv,int &nproc, int &myrank)
 }
 
 
-void divide_pools(const int &nproc, const int &myrank, int &nproc_in_pool, int &npool, int&mypool, int &rank_in_pool)
+void divide_pools(const int &nproc, const int &myrank, int &nproc_in_pool, int &kpar, int&mypool, int &rank_in_pool)
 {  
-    nproc_in_pool = nproc/npool;
-    if (myrank < (nproc%npool)*(nproc_in_pool+1))
+    nproc_in_pool = nproc/kpar;
+    if (myrank < (nproc%kpar)*(nproc_in_pool+1))
     {
         nproc_in_pool++;
     }
 
-    int *nproc_pool = new int[npool];
-    int *startpro_pool = new int[npool];
-    for(int ip = 0 ; ip < npool ; ++ip)
+    int *nproc_pool = new int[kpar];
+    int *startpro_pool = new int[kpar];
+    for(int ip = 0 ; ip < kpar ; ++ip)
     {
         nproc_pool[ip] = 0;
         startpro_pool[ip] = 0;
     }
 
     for (int i=0; i<nproc; i++)
     {
-        int j = i%npool;
+        int j = i%kpar;
         nproc_pool[j]++;
     }
 
     // (3) To know start proc index in each pool.
-    for (int i=1; i<npool; i++)
+    for (int i=1; i<kpar; i++)
     {
         startpro_pool[i]=startpro_pool[i-1]+nproc_pool[i-1];
     }
 
     // use 'myrank' to know 'mypool'.
-    for (int i=0; i<npool; i++)
+    for (int i=0; i<kpar; i++)
     {
         if (myrank >= startpro_pool[i])
         {

source/module_pw/test/test_tool.h

@@ -1,3 +1,3 @@
 void setupmpi(int argc,char **argv,int &nproc, int &myrank);
-void divide_pools(const int &nproc, const int &myrank,int &nproc_in_pool, int &npool, int&mypool, int &rank_in_pool);
+void divide_pools(const int &nproc, const int &myrank,int &nproc_in_pool, int &kpar, int&mypool, int &rank_in_pool);
 void finishmpi();

source/src_pw/sto_wf.cpp

@@ -111,7 +111,6 @@ void Init_Com_Orbitals(Stochastic_WF& stowf, K_Vectors& kv)
     else                    igroup = GlobalV::NSTOGROUP - GlobalV::MY_STOGROUP - 1;
 
     const int nks = kv.nks;
-    const int npool = GlobalV::KPAR;
     const int ngroup = GlobalV::NSTOGROUP;
     const int n_in_pool = GlobalV::NPROC_IN_POOL;
     const int i_in_group = GlobalV::RANK_IN_STOGROUP;