fix tests

Author: Qianruipku

source/module_elecstate/test/elecstate_base_test.cpp

@@ -128,6 +128,7 @@ class MockElecState : public ElecState
         PARAM.input.nupdown  = 0.0;
         PARAM.sys.two_fermi = false;
         PARAM.input.nbands = 6;
+        PARAM.sys.nbands_l = 6;
         PARAM.sys.nlocal = 6;
         PARAM.input.esolver_type = "ksdft";
         PARAM.input.lspinorb = false;

source/module_elecstate/test/elecstate_print_test.cpp

@@ -164,6 +164,7 @@ TEST_F(ElecStatePrintTest, PrintBand)
 {
     PARAM.input.nspin = 1;
     PARAM.input.nbands = 2;
+    PARAM.sys.nbands_l = 2;
     GlobalV::MY_RANK = 0;
     GlobalV::ofs_running.open("test.dat", std::ios::out);
     // print eigenvalue

source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp

@@ -673,6 +673,10 @@ void Stochastic_Iter<T, Device>::cal_storho(const UnitCell& ucell,
         for (int is = 0; is < nspin; ++is)
         {
             pes->charge->reduce_diff_pools(sto_rho[is]);
+            if (!PARAM.globalv.all_ks_run && PARAM.inp.bndpar > 1)
+            {
+                MPI_Allreduce(MPI_IN_PLACE, sto_rho[is], nrxx, MPI_DOUBLE, MPI_SUM, BP_WORLD);
+            }
         }
     }
 #endif

source/module_hsolver/diago_bpcg.cpp

@@ -12,7 +12,6 @@
 #include "module_base/global_function.h"
 #include "module_base/kernels/math_kernel_op.h"
 #include "para_linear_transform.h"
-#include "module_parameter/parameter.h"
 
 namespace hsolver {
 
@@ -314,7 +313,7 @@ void DiagoBPCG<T, Device>::diag(const HPsiFunc& hpsi_func,
 
     int start_nband = 0;
 #ifdef __MPI
-    if (PARAM.inp.bndpar > 1)
+    if (this->plintrans.nproc_col > 1)
     {
         start_nband = this->plintrans.start_colB[GlobalV::MY_BNDGROUP];
     }

source/module_hsolver/test/diago_bpcg_test.cpp

@@ -283,6 +283,7 @@ int main(int argc, char **argv)
 	int nproc_in_pool, kpar=1, mypool, rank_in_pool;
     setupmpi(argc,argv,nproc, myrank);
     divide_pools(nproc, myrank, nproc_in_pool, kpar, mypool, rank_in_pool);
+    MPI_Comm_split(MPI_COMM_WORLD,myrank,0,&BP_WORLD);
     GlobalV::NPROC_IN_POOL = nproc;
 #else
 	MPI_Init(&argc, &argv);	

source/module_io/test/write_istate_info_test.cpp

@@ -46,6 +46,7 @@ TEST_F(IstateInfoTest, OutIstateInfoS1)
     // preconditions
     GlobalV::KPAR = 1;
     PARAM.input.nbands = 4;
+    PARAM.sys.nbands_l = 4;
     PARAM.input.nspin = 1;
     PARAM.sys.global_out_dir = "./";
     // mpi setting
@@ -96,6 +97,7 @@ TEST_F(IstateInfoTest, OutIstateInfoS2)
     // preconditions
     GlobalV::KPAR = 1;
     PARAM.input.nbands = 4;
+    PARAM.sys.nbands_l = 4;
     PARAM.input.nspin = 2;
     PARAM.sys.global_out_dir = "./";
     // mpi setting