Fix GitHub CI MPI compilation bug

AsTonyshment · AsTonyshment · commit cca5fa9f2bb6 · 2025-01-19T15:08:17.000+08:00
diff --git a/source/module_hamilt_lcao/module_tddft/evolve_elec.h b/source/module_hamilt_lcao/module_tddft/evolve_elec.h
@@ -91,7 +91,7 @@ inline void print_tensor_data<std::complex<double>>(const ct::Tensor& tensor, co
 
 namespace module_tddft
 {
-
+#ifdef __MPI
 template <typename T>
 void gatherPsi(const int myid,
                const int root_proc,
@@ -133,6 +133,7 @@ void distributePsi(const Parallel_Orbitals& para_orb, T* psi_l, const ModuleESol
     // Call the Cpxgemr2d function in ScaLAPACK to distribute the matrix data
     Cpxgemr2d(nrows, ncols, psi_g.p.get(), 1, 1, psi_g.desc.get(), psi_l, 1, 1, const_cast<int*>(desc_psi), ctxt);
 }
+#endif // __MPI
 
 template <typename Device = base_device::DEVICE_CPU>
 class Evolve_elec

Original file line number	Diff line number	Diff line change
`@@ -91,7 +91,7 @@ inline void print_tensor_data<std::complex<double>>(const ct::Tensor& tensor, co`
`91`	`91`
`92`	`92`	`namespace module_tddft`
`93`	`93`	`{`
`94`		`-`
	`94`	`+#ifdef __MPI`
`95`	`95`	`template <typename T>`
`96`	`96`	`void gatherPsi(const int myid,`
`97`	`97`	`const int root_proc,`
`@@ -133,6 +133,7 @@ void distributePsi(const Parallel_Orbitals& para_orb, T* psi_l, const ModuleESol`
`133`	`133`	`// Call the Cpxgemr2d function in ScaLAPACK to distribute the matrix data`
`134`	`134`	`Cpxgemr2d(nrows, ncols, psi_g.p.get(), 1, 1, psi_g.desc.get(), psi_l, 1, 1, const_cast<int*>(desc_psi), ctxt);`
`135`	`135`	`}`
	`136`	`+#endif // __MPI`
`136`	`137`
`137`	`138`	`template <typename Device = base_device::DEVICE_CPU>`
`138`	`139`	`class Evolve_elec`