diff --git a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp index 0c08ac019f..b024bca4d8 100644 --- a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp @@ -28,7 +28,7 @@ void Gint::gint_kernel_force(Gint_inout* inout) { std::vector block_index(max_size+1,0); std::vector block_size(max_size,0); std::vector vldr3(this->bxyz,0.0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; if (na_grid == 0) { @@ -153,7 +153,7 @@ void Gint::gint_kernel_force_meta(Gint_inout* inout) { std::vector block_size(max_size,0); std::vector vldr3(this->bxyz,0.0); std::vector vkdr3(this->bxyz,0.0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; if (na_grid == 0) { diff --git a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp index dfc4926b0d..e3663145cc 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp @@ -16,7 +16,7 @@ void Gint::gint_kernel_rho(Gint_inout* inout) { std::vector block_index(max_size+1, 0); std::vector block_size(max_size, 0); std::vector vindex(this->bxyz, 0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; @@ -102,7 +102,7 @@ void Gint::gint_kernel_tau(Gint_inout* inout) { std::vector block_index(max_size+1, 0); std::vector block_size(max_size, 0); std::vector vindex(bxyz, 0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp index c7629ba387..5bbab01fc0 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp @@ -24,7 +24,7 @@ void Gint::gint_kernel_vlocal(Gint_inout* inout) { std::vector block_index(max_size+1,0); std::vector block_size(max_size,0); std::vector vldr3(this->bxyz,0.0); - #pragma omp for + #pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; if (na_grid == 0) { @@ -119,7 +119,7 @@ void Gint::gint_kernel_dvlocal(Gint_inout* inout) { std::vector block_index(max_size+1,0); std::vector block_size(max_size,0); std::vector vldr3(this->bxyz,0.0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; if (na_grid == 0) { @@ -217,7 +217,7 @@ void Gint::gint_kernel_vlocal_meta(Gint_inout* inout) { std::vector vldr3(this->bxyz,0.0); std::vector vkdr3(this->bxyz,0.0); -#pragma omp for +#pragma omp for schedule(dynamic) for (int grid_index = 0; grid_index < this->nbxx; grid_index++) { const int na_grid = this->gridt->how_many_atoms[grid_index]; if (na_grid == 0) {