Fix compile error

Signed-off-by：Tianxiang Wang<tianxiang.wang@metax-tech.com>,Contributed under MetaX Integrated Circuits (Shanghai) Co., Ltd.

Author: wangtianxiang

source/module_basis/module_pw/pw_basis_k.h

@@ -152,7 +152,6 @@ class PW_Basis_K : public PW_Basis
                        const bool add = false,
                        const FPTYPE factor = 1.0) const; // in:(nz, ns)  ; out(nplane,nx*ny)
 
-#if defined(__CUDA) || defined(__ROCM)
     template <typename FPTYPE, typename Device>
     void real_to_recip_batch(const Device* ctx,
                        std::complex<FPTYPE>* in,
@@ -173,7 +172,6 @@ class PW_Basis_K : public PW_Basis
                        const int batchSize,
                        const bool add = false,
                        const FPTYPE factor = 1.0)const; // in:(nz, ns)  ; out(nplane,nx*ny)
-#endif
   public:
     //operator:
     //get (G+K)^2:

source/module_elecstate/elecstate_pw.cpp

@@ -172,6 +172,7 @@ void ElecStatePW<T, Device>::rhoBandK(const psi::Psi<T, Device>& psi)
     {
         int npwx = npw / 2;
 
+#if defined(__CUDA) || defined(__ROCM)
         // additional memeory : wfcr, wfcr_another_spin, fft data, fft workarea
         int batchSize = ModulePW::BatchedFFT<double>::estimate_batch_size(4 * this->basis->nmaxgr * sizeof(T));
         if (std::is_same<Device, base_device::DEVICE_GPU>::value && batchSize > 1 && nbands > 1)
@@ -193,6 +194,7 @@ void ElecStatePW<T, Device>::rhoBandK(const psi::Psi<T, Device>& psi)
             base_device::memory::delete_memory_op<double, Device>()(this->ctx, wg_gpu);
         }
         else
+#endif
         {
             for (int ibnd = 0; ibnd < nbands; ibnd++)
             {

source/module_elecstate/fp_energy.cpp

@@ -36,7 +36,9 @@ double fenergy::calculate_etot()
         etot += (ecore + epawdc);
     }
 #endif
+#ifdef __MPI
     Parallel_Common::bcast_double(etot);
+#endif
     return etot;
 }
 
@@ -61,7 +63,9 @@ double fenergy::calculate_harris()
         etot_harris += (ecore + epawdc);
     }
 #endif
+#ifdef __MPI
     Parallel_Common::bcast_double(etot_harris);
+#endif
     return etot_harris;
 }
 

source/module_esolver/esolver_ks.cpp

@@ -535,7 +535,9 @@ void ESolver_KS<T, Device>::runner(const int istep, UnitCell& ucell)
             // EState should be used after it is constructed.
 
             drho = p_chgmix->get_drho(pelec->charge, GlobalV::nelec);
+#ifdef __MPI
             Parallel_Common::bcast_double(drho);
+#endif
             double hsolver_error = 0.0;
             if (firstscf)
             {

source/module_hsolver/diago_dav_subspace.cpp

@@ -502,8 +502,9 @@ bool Diago_DavSubspace<T, Device>::diag_zhegvx(const int& nbase,
             }
         }
     }
-
+#ifdef __MPI
     MPI_Bcast(&fail_info, 1, MPI_INT, 0, this->diag_comm.comm);
+#endif
     if(fail_info != 0)
     {
         return false;