From 4796ae2595c733b1ca8c0801d22759558b807c8c Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Tue, 10 Mar 2026 13:36:48 +0800 Subject: [PATCH 1/2] Allow compile LCAO version on DSP --- CMakeLists.txt | 1 - examples/02_scf/lcao_Si2/INPUT | 2 ++ source/source_base/kernels/math_kernel_op.cpp | 2 ++ 3 files changed, 4 insertions(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 166814d6f3..5745173cc1 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -189,7 +189,6 @@ endif() # Use DSP hardware if (USE_DSP) set(USE_ELPA OFF) - set(ENABLE_LCAO OFF) set(ABACUS_BIN_NAME abacus_dsp) endif() diff --git a/examples/02_scf/lcao_Si2/INPUT b/examples/02_scf/lcao_Si2/INPUT index 595aec4f47..6250cb6c32 100644 --- a/examples/02_scf/lcao_Si2/INPUT +++ b/examples/02_scf/lcao_Si2/INPUT @@ -8,6 +8,8 @@ scf_nmax 100 scf_thr 1e-6 basis_type lcao +ks_solver lapack +kpar 3 ### [1] Energy cutoff determines the quality of numerical quadratures in your calculations. ### So it is strongly recommended to test whether your result (such as converged SCF energies) is diff --git a/source/source_base/kernels/math_kernel_op.cpp b/source/source_base/kernels/math_kernel_op.cpp index aa5d365319..564a8f1ba9 100644 --- a/source/source_base/kernels/math_kernel_op.cpp +++ b/source/source_base/kernels/math_kernel_op.cpp @@ -163,6 +163,8 @@ template struct matrix_mul_vector_op, base_device::DEVICE_C template struct matrixTranspose_op; #endif #ifdef __DSP +template struct gemm_op_mt; +template struct gemm_op_mt; template struct gemm_op_mt, base_device::DEVICE_CPU>; template struct gemm_op_mt, base_device::DEVICE_CPU>; #endif From d6cf68fc60933d6134b5687e2d6790e32ce7f236 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Tue, 10 Mar 2026 14:04:29 +0800 Subject: [PATCH 2/2] Nooo, I shouldn't have modified the INPUT file --- examples/02_scf/lcao_Si2/INPUT | 2 -- 1 file changed, 2 deletions(-) diff --git a/examples/02_scf/lcao_Si2/INPUT b/examples/02_scf/lcao_Si2/INPUT index 6250cb6c32..595aec4f47 100644 --- a/examples/02_scf/lcao_Si2/INPUT +++ b/examples/02_scf/lcao_Si2/INPUT @@ -8,8 +8,6 @@ scf_nmax 100 scf_thr 1e-6 basis_type lcao -ks_solver lapack -kpar 3 ### [1] Energy cutoff determines the quality of numerical quadratures in your calculations. ### So it is strongly recommended to test whether your result (such as converged SCF energies) is