From 886a26fc9977976710a10e925b2aaa9060591b07 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 14:56:31 +0800 Subject: [PATCH 1/7] Move module_fft to source_base --- source/Makefile.Objects | 2 +- .../module_fft/fft_base.h | 0 .../module_fft/fft_bundle.cpp | 0 .../module_fft/fft_bundle.h | 0 .../module_fft/fft_cpu.cpp | 0 .../module_pw => source_base}/module_fft/fft_cpu.h | 0 .../module_fft/fft_cpu_float.cpp | 0 .../module_fft/fft_cuda.cpp | 0 .../module_fft/fft_cuda.h | 0 .../module_fft/fft_dsp.cpp | 0 .../module_pw => source_base}/module_fft/fft_dsp.h | 0 .../module_fft/fft_dsp_float.cpp | 0 .../module_fft/fft_rocm.cpp | 0 .../module_fft/fft_rocm.h | 0 source/source_basis/module_pw/CMakeLists.txt | 14 +++++++------- source/source_basis/module_pw/pw_basis.h | 2 +- source/source_basis/module_pw/pw_transform.cpp | 2 +- source/source_hamilt/module_xc/test/CMakeLists.txt | 12 ++++++------ 18 files changed, 16 insertions(+), 16 deletions(-) rename source/{source_basis/module_pw => source_base}/module_fft/fft_base.h (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_bundle.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_bundle.h (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_cpu.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_cpu.h (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_cpu_float.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_cuda.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_cuda.h (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_dsp.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_dsp.h (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_dsp_float.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_rocm.cpp (100%) rename source/{source_basis/module_pw => source_base}/module_fft/fft_rocm.h (100%) diff --git a/source/Makefile.Objects b/source/Makefile.Objects index 764cf0ce51..b745e4579f 100644 --- a/source/Makefile.Objects +++ b/source/Makefile.Objects @@ -29,7 +29,7 @@ VPATH=./src_global:\ ./source_base/module_mixing:\ ./source_md:\ ./source_basis/module_pw:\ -./source_basis/module_pw/module_fft:\ +./source_base/module_fft:\ ./source_esolver:\ ./source_hsolver:\ ./source_hsolver/kernels:\ diff --git a/source/source_basis/module_pw/module_fft/fft_base.h b/source/source_base/module_fft/fft_base.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_base.h rename to source/source_base/module_fft/fft_base.h diff --git a/source/source_basis/module_pw/module_fft/fft_bundle.cpp b/source/source_base/module_fft/fft_bundle.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_bundle.cpp rename to source/source_base/module_fft/fft_bundle.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_bundle.h b/source/source_base/module_fft/fft_bundle.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_bundle.h rename to source/source_base/module_fft/fft_bundle.h diff --git a/source/source_basis/module_pw/module_fft/fft_cpu.cpp b/source/source_base/module_fft/fft_cpu.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_cpu.cpp rename to source/source_base/module_fft/fft_cpu.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_cpu.h b/source/source_base/module_fft/fft_cpu.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_cpu.h rename to source/source_base/module_fft/fft_cpu.h diff --git a/source/source_basis/module_pw/module_fft/fft_cpu_float.cpp b/source/source_base/module_fft/fft_cpu_float.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_cpu_float.cpp rename to source/source_base/module_fft/fft_cpu_float.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_cuda.cpp b/source/source_base/module_fft/fft_cuda.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_cuda.cpp rename to source/source_base/module_fft/fft_cuda.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_cuda.h b/source/source_base/module_fft/fft_cuda.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_cuda.h rename to source/source_base/module_fft/fft_cuda.h diff --git a/source/source_basis/module_pw/module_fft/fft_dsp.cpp b/source/source_base/module_fft/fft_dsp.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_dsp.cpp rename to source/source_base/module_fft/fft_dsp.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_dsp.h b/source/source_base/module_fft/fft_dsp.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_dsp.h rename to source/source_base/module_fft/fft_dsp.h diff --git a/source/source_basis/module_pw/module_fft/fft_dsp_float.cpp b/source/source_base/module_fft/fft_dsp_float.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_dsp_float.cpp rename to source/source_base/module_fft/fft_dsp_float.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_rocm.cpp b/source/source_base/module_fft/fft_rocm.cpp similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_rocm.cpp rename to source/source_base/module_fft/fft_rocm.cpp diff --git a/source/source_basis/module_pw/module_fft/fft_rocm.h b/source/source_base/module_fft/fft_rocm.h similarity index 100% rename from source/source_basis/module_pw/module_fft/fft_rocm.h rename to source/source_base/module_fft/fft_rocm.h diff --git a/source/source_basis/module_pw/CMakeLists.txt b/source/source_basis/module_pw/CMakeLists.txt index 1c9dd2828d..912772e057 100644 --- a/source/source_basis/module_pw/CMakeLists.txt +++ b/source/source_basis/module_pw/CMakeLists.txt @@ -1,22 +1,22 @@ if (ENABLE_FLOAT_FFTW) list (APPEND FFT_SRC - module_fft/fft_cpu_float.cpp + ../../source_base/module_fft/fft_cpu_float.cpp ) endif() if (USE_CUDA) list (APPEND FFT_SRC - module_fft/fft_cuda.cpp + ../../source_base/module_fft/fft_cuda.cpp ) endif() if (USE_ROCM) list (APPEND FFT_SRC - module_fft/fft_rocm.cpp + ../../source_base/module_fft/fft_rocm.cpp ) endif() if (USE_DSP) list (APPEND FFT_SRC - module_fft/fft_dsp.cpp - module_fft/fft_dsp_float.cpp + ../../source_base/module_fft/fft_dsp.cpp + ../../source_base/module_fft/fft_dsp_float.cpp pw_transform_k_dsp.cpp) endif() @@ -32,8 +32,8 @@ list(APPEND objects pw_transform.cpp pw_transform_gpu.cpp pw_transform_k.cpp - module_fft/fft_bundle.cpp - module_fft/fft_cpu.cpp + ../../source_base/module_fft/fft_bundle.cpp + ../../source_base/module_fft/fft_cpu.cpp ${FFT_SRC} ) diff --git a/source/source_basis/module_pw/pw_basis.h b/source/source_basis/module_pw/pw_basis.h index 1578af0d83..b7ef79ff34 100644 --- a/source/source_basis/module_pw/pw_basis.h +++ b/source/source_basis/module_pw/pw_basis.h @@ -7,7 +7,7 @@ #include "source_base/matrix3.h" #include "source_base/vector3.h" #include -#include "module_fft/fft_bundle.h" +#include "source_base/module_fft/fft_bundle.h" #include #ifdef __MPI #include "mpi.h" diff --git a/source/source_basis/module_pw/pw_transform.cpp b/source/source_basis/module_pw/pw_transform.cpp index 947909a3c8..31dbf8b954 100644 --- a/source/source_basis/module_pw/pw_transform.cpp +++ b/source/source_basis/module_pw/pw_transform.cpp @@ -1,7 +1,7 @@ #include "source_base/global_function.h" #include "source_base/timer.h" #include "source_basis/module_pw/kernels/pw_op.h" -#include "module_fft/fft_bundle.h" +#include "source_base/module_fft/fft_bundle.h" #include "pw_basis.h" #include "pw_gatherscatter.h" diff --git a/source/source_hamilt/module_xc/test/CMakeLists.txt b/source/source_hamilt/module_xc/test/CMakeLists.txt index eb24bfec27..f1ecb49d70 100644 --- a/source/source_hamilt/module_xc/test/CMakeLists.txt +++ b/source/source_hamilt/module_xc/test/CMakeLists.txt @@ -20,10 +20,10 @@ AddTest( ) if (USE_CUDA) -list(APPEND FFT_SRC ../../../source_basis/module_pw/module_fft/fft_cuda.cpp) +list(APPEND FFT_SRC ../../../source_base/module_fft/fft_cuda.cpp) endif() if (USE_ROCM) -list(APPEND FFT_SRC ../../../source_basis/module_pw/module_fft/fft_rocm.cpp) +list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp) endif() AddTest( TARGET XCTest_GRADCORR @@ -41,8 +41,8 @@ AddTest( ../../../source_base/libm/branred.cpp ../../../source_base/libm/sincos.cpp ../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_basis/module_pw/module_fft/fft_bundle.cpp - ../../../source_basis/module_pw/module_fft/fft_cpu.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp ${FFT_SRC} ) @@ -79,7 +79,7 @@ AddTest( ../../../source_base/timer.cpp ../../../source_base/libm/branred.cpp ../../../source_base/libm/sincos.cpp - ../../../source_basis/module_pw/module_fft/fft_bundle.cpp - ../../../source_basis/module_pw/module_fft/fft_cpu.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp ${FFT_SRC} ) \ No newline at end of file From af5424734830a782780ceac3c1f42b4d749c8949 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 15:18:51 +0800 Subject: [PATCH 2/7] Fix test build error --- source/source_basis/module_pw/test_serial/CMakeLists.txt | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/source/source_basis/module_pw/test_serial/CMakeLists.txt b/source/source_basis/module_pw/test_serial/CMakeLists.txt index d604aa64b1..79b7fbf3e8 100644 --- a/source/source_basis/module_pw/test_serial/CMakeLists.txt +++ b/source/source_basis/module_pw/test_serial/CMakeLists.txt @@ -9,8 +9,8 @@ remove_definitions(-D__MLALGO) add_library( planewave_serial OBJECT - ../module_fft/fft_bundle.cpp - ../module_fft/fft_cpu.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp ../pw_basis.cpp ../pw_basis_k.cpp ../pw_basis_sup.cpp From 267470616592db3ad67fe5e5798606f2c1d2db32 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 16:41:02 +0800 Subject: [PATCH 3/7] Rename namespace --- source/source_base/module_fft/fft_base.h | 4 ++-- source/source_base/module_fft/fft_bundle.cpp | 4 ++-- source/source_base/module_fft/fft_bundle.h | 4 ++-- source/source_base/module_fft/fft_cpu.cpp | 2 +- source/source_base/module_fft/fft_cpu.h | 2 +- source/source_base/module_fft/fft_cpu_float.cpp | 2 +- source/source_base/module_fft/fft_cuda.cpp | 4 ++-- source/source_base/module_fft/fft_cuda.h | 4 ++-- source/source_base/module_fft/fft_dsp.cpp | 4 ++-- source/source_base/module_fft/fft_dsp.h | 4 ++-- source/source_base/module_fft/fft_dsp_float.cpp | 2 +- source/source_base/module_fft/fft_rocm.cpp | 4 ++-- source/source_base/module_fft/fft_rocm.h | 4 ++-- source/source_basis/module_pw/pw_basis.h | 2 +- 14 files changed, 23 insertions(+), 23 deletions(-) diff --git a/source/source_base/module_fft/fft_base.h b/source/source_base/module_fft/fft_base.h index 1721e4e3d2..1fcbc51412 100644 --- a/source/source_base/module_fft/fft_base.h +++ b/source/source_base/module_fft/fft_base.h @@ -2,7 +2,7 @@ #define FFT_BASE_H #include -namespace ModulePW +namespace ModuleBase { template class FFT_BASE @@ -160,5 +160,5 @@ template FFT_BASE::FFT_BASE(); template FFT_BASE::FFT_BASE(); template FFT_BASE::~FFT_BASE(); template FFT_BASE::~FFT_BASE(); -} // namespace ModulePW +} // namespace ModuleBase #endif // FFT_BASE_H diff --git a/source/source_base/module_fft/fft_bundle.cpp b/source/source_base/module_fft/fft_bundle.cpp index 8e318c8d6d..67b38364b2 100644 --- a/source/source_base/module_fft/fft_bundle.cpp +++ b/source/source_base/module_fft/fft_bundle.cpp @@ -19,7 +19,7 @@ std::unique_ptr make_unique(Args&&... args) { return std::unique_ptr(new FFT_BASE(std::forward(args)...)); } -namespace ModulePW +namespace ModuleBase { FFT_Bundle::~FFT_Bundle() { @@ -296,4 +296,4 @@ std::complex* FFT_Bundle::get_auxr_3d_data() const { return fft_double->get_auxr_3d_data(); } -} // namespace ModulePW \ No newline at end of file +} // namespace ModuleBase \ No newline at end of file diff --git a/source/source_base/module_fft/fft_bundle.h b/source/source_base/module_fft/fft_bundle.h index 74caadd36e..af82119201 100644 --- a/source/source_base/module_fft/fft_bundle.h +++ b/source/source_base/module_fft/fft_bundle.h @@ -5,7 +5,7 @@ #include "fft_cpu.h" #include -namespace ModulePW +namespace ModuleBase { class FFT_Bundle { @@ -216,5 +216,5 @@ struct FFT_Guard } }; -} // namespace ModulePW +} // namespace ModuleBase #endif // FFT_H diff --git a/source/source_base/module_fft/fft_cpu.cpp b/source/source_base/module_fft/fft_cpu.cpp index 5c4783d83d..f50f6e9e86 100644 --- a/source/source_base/module_fft/fft_cpu.cpp +++ b/source/source_base/module_fft/fft_cpu.cpp @@ -1,6 +1,6 @@ #include "fft_cpu.h" #include "fftw3.h" -namespace ModulePW +namespace ModuleBase { template diff --git a/source/source_base/module_fft/fft_cpu.h b/source/source_base/module_fft/fft_cpu.h index c0fe9992eb..f33fecd74b 100644 --- a/source/source_base/module_fft/fft_cpu.h +++ b/source/source_base/module_fft/fft_cpu.h @@ -3,7 +3,7 @@ #include "fft_base.h" #include "fftw3.h" -namespace ModulePW +namespace ModuleBase { template class FFT_CPU : public FFT_BASE diff --git a/source/source_base/module_fft/fft_cpu_float.cpp b/source/source_base/module_fft/fft_cpu_float.cpp index b3e8d7d572..9d1265fd79 100644 --- a/source/source_base/module_fft/fft_cpu_float.cpp +++ b/source/source_base/module_fft/fft_cpu_float.cpp @@ -1,6 +1,6 @@ #include "fft_cpu.h" -namespace ModulePW +namespace ModuleBase { template <> void FFT_CPU::setupFFT() diff --git a/source/source_base/module_fft/fft_cuda.cpp b/source/source_base/module_fft/fft_cuda.cpp index 8291acb34a..bd5669f822 100644 --- a/source/source_base/module_fft/fft_cuda.cpp +++ b/source/source_base/module_fft/fft_cuda.cpp @@ -3,7 +3,7 @@ #include "source_base/module_device/memory_op.h" #include "source_pw/module_pwdft/global.h" -namespace ModulePW +namespace ModuleBase { template void FFT_CUDA::initfft(int nx_in, int ny_in, int nz_in) @@ -111,4 +111,4 @@ template FFT_CUDA::FFT_CUDA(); template FFT_CUDA::~FFT_CUDA(); template FFT_CUDA::FFT_CUDA(); template FFT_CUDA::~FFT_CUDA(); -} // namespace ModulePW \ No newline at end of file +} // namespace ModuleBase \ No newline at end of file diff --git a/source/source_base/module_fft/fft_cuda.h b/source/source_base/module_fft/fft_cuda.h index 4942ee33f2..7734caffa9 100644 --- a/source/source_base/module_fft/fft_cuda.h +++ b/source/source_base/module_fft/fft_cuda.h @@ -4,7 +4,7 @@ #include "fft_base.h" #include "cufft.h" #include "cuda_runtime.h" -namespace ModulePW +namespace ModuleBase { template class FFT_CUDA : public FFT_BASE @@ -63,5 +63,5 @@ class FFT_CUDA : public FFT_BASE }; -} // namespace ModulePW +} // namespace ModuleBase #endif \ No newline at end of file diff --git a/source/source_base/module_fft/fft_dsp.cpp b/source/source_base/module_fft/fft_dsp.cpp index e26292cf5b..1bd8463c91 100644 --- a/source/source_base/module_fft/fft_dsp.cpp +++ b/source/source_base/module_fft/fft_dsp.cpp @@ -5,7 +5,7 @@ #include #include #include -namespace ModulePW +namespace ModuleBase { template <> void FFT_DSP::initfft(int nx_in, int ny_in, int nz_in) @@ -124,4 +124,4 @@ template FFT_DSP::FFT_DSP(); template FFT_DSP::~FFT_DSP(); template FFT_DSP::FFT_DSP(); template FFT_DSP::~FFT_DSP(); -} // namespace ModulePW \ No newline at end of file +} // namespace ModuleBase \ No newline at end of file diff --git a/source/source_base/module_fft/fft_dsp.h b/source/source_base/module_fft/fft_dsp.h index f3358043ee..a735fd1c50 100644 --- a/source/source_base/module_fft/fft_dsp.h +++ b/source/source_base/module_fft/fft_dsp.h @@ -10,7 +10,7 @@ #include "mtfft.h" #include "fftw3.h" -namespace ModulePW +namespace ModuleBase { template @@ -84,5 +84,5 @@ class FFT_DSP : public FFT_BASE std::complex* z_auxr_3d = nullptr; // fft space }; -} // namespace ModulePW +} // namespace ModuleBase #endif \ No newline at end of file diff --git a/source/source_base/module_fft/fft_dsp_float.cpp b/source/source_base/module_fft/fft_dsp_float.cpp index 3c11cfc81f..79efa4f000 100644 --- a/source/source_base/module_fft/fft_dsp_float.cpp +++ b/source/source_base/module_fft/fft_dsp_float.cpp @@ -1,5 +1,5 @@ #include "fft_dsp.h" -namespace ModulePW +namespace ModuleBase { template<> diff --git a/source/source_base/module_fft/fft_rocm.cpp b/source/source_base/module_fft/fft_rocm.cpp index da37b51b7d..89413e2d64 100644 --- a/source/source_base/module_fft/fft_rocm.cpp +++ b/source/source_base/module_fft/fft_rocm.cpp @@ -1,7 +1,7 @@ #include "fft_rocm.h" #include "source_base/module_device/memory_op.h" #include "source_pw/module_pwdft/global.h" -namespace ModulePW +namespace ModuleBase { template void FFT_ROCM::initfft(int nx_in, @@ -107,4 +107,4 @@ template FFT_ROCM::FFT_ROCM(); template FFT_ROCM::~FFT_ROCM(); template FFT_ROCM::FFT_ROCM(); template FFT_ROCM::~FFT_ROCM(); -}// namespace ModulePW \ No newline at end of file +}// namespace ModuleBase \ No newline at end of file diff --git a/source/source_base/module_fft/fft_rocm.h b/source/source_base/module_fft/fft_rocm.h index 10e7751da6..96c4cde091 100644 --- a/source/source_base/module_fft/fft_rocm.h +++ b/source/source_base/module_fft/fft_rocm.h @@ -5,7 +5,7 @@ #include "fft_base.h" #include #include -namespace ModulePW +namespace ModuleBase { template class FFT_ROCM : public FFT_BASE @@ -59,5 +59,5 @@ class FFT_ROCM : public FFT_BASE mutable std::complex* z_auxr_3d = nullptr; // fft space }; -}// namespace ModulePW +}// namespace ModuleBase #endif diff --git a/source/source_basis/module_pw/pw_basis.h b/source/source_basis/module_pw/pw_basis.h index b7ef79ff34..b834cb0e0f 100644 --- a/source/source_basis/module_pw/pw_basis.h +++ b/source/source_basis/module_pw/pw_basis.h @@ -245,7 +245,7 @@ class PW_Basis int nmaxgr = 0; // Gamma_only: max between npw and (nrxx+1)/2, others: max between npw and nrxx // Thus std::complex[nmaxgr] is able to contain either reciprocal or real data // FFT ft; - FFT_Bundle fft_bundle; + ModuleBase::FFT_Bundle fft_bundle; //The position of pointer in and out can be equal(in-place transform) or different(out-of-place transform). template From 186d1440c9c1437ba088ebef0a7a6365b25cfaf7 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 17:40:08 +0800 Subject: [PATCH 4/7] Fix CUDA test error --- source/source_base/kernels/dsp/dsp_connector.cpp | 3 ++- source/source_estate/test/elecstate_base_test.cpp | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/source/source_base/kernels/dsp/dsp_connector.cpp b/source/source_base/kernels/dsp/dsp_connector.cpp index a3c5f6d897..01e68bfbc4 100644 --- a/source/source_base/kernels/dsp/dsp_connector.cpp +++ b/source/source_base/kernels/dsp/dsp_connector.cpp @@ -290,7 +290,8 @@ void zgemm_mth_(const char* transa, c, *ldc, cluster_id); - + free_ht(alp); + free_ht(bet); } // zgemm that needn't malloc_ht or free_ht void cgemm_mth_(const char* transa, diff --git a/source/source_estate/test/elecstate_base_test.cpp b/source/source_estate/test/elecstate_base_test.cpp index 4e9aa2307d..887a7806fd 100644 --- a/source/source_estate/test/elecstate_base_test.cpp +++ b/source/source_estate/test/elecstate_base_test.cpp @@ -63,7 +63,7 @@ ModulePW::PW_Basis::~PW_Basis() ModulePW::PW_Basis_Sup::~PW_Basis_Sup() { } -ModulePW::FFT_Bundle::~FFT_Bundle() {}; +ModuleBase::FFT_Bundle::~FFT_Bundle() {}; void ModulePW::PW_Basis::initgrids(double, ModuleBase::Matrix3, double) { } From f399d5d85e4a6386106bddcb1d21c5a5c8fe338e Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 17:48:38 +0800 Subject: [PATCH 5/7] Fix CUDA test bug * 2 --- source/source_estate/test/charge_extra_test.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/source_estate/test/charge_extra_test.cpp b/source/source_estate/test/charge_extra_test.cpp index 350ccd7aa3..f3ba01dc20 100644 --- a/source/source_estate/test/charge_extra_test.cpp +++ b/source/source_estate/test/charge_extra_test.cpp @@ -66,7 +66,7 @@ PW_Basis::PW_Basis() PW_Basis::~PW_Basis() { } -FFT_Bundle::~FFT_Bundle(){}; +ModuleBase::FFT_Bundle::~FFT_Bundle(){}; void PW_Basis::initgrids(const double lat0_in, const ModuleBase::Matrix3 latvec_in, const double gridecut) { } From 957621425fff53b3ef9e4e16c387b0db58e0acd4 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Mon, 15 Sep 2025 19:27:49 +0800 Subject: [PATCH 6/7] Finally fix CUDA test error --- source/source_estate/test/charge_extra_test.cpp | 1 + source/source_estate/test/elecstate_base_test.cpp | 1 + 2 files changed, 2 insertions(+) diff --git a/source/source_estate/test/charge_extra_test.cpp b/source/source_estate/test/charge_extra_test.cpp index f3ba01dc20..7163248bbf 100644 --- a/source/source_estate/test/charge_extra_test.cpp +++ b/source/source_estate/test/charge_extra_test.cpp @@ -5,6 +5,7 @@ #include "source_io/module_parameter/parameter.h" #include "source_estate/module_charge/charge_extra.h" #include "prepare_unitcell.h" +#include "source_base/module_fft/fft_bundle.h" #undef private #undef protected // mock functions for UnitCell diff --git a/source/source_estate/test/elecstate_base_test.cpp b/source/source_estate/test/elecstate_base_test.cpp index 887a7806fd..f0b81d647c 100644 --- a/source/source_estate/test/elecstate_base_test.cpp +++ b/source/source_estate/test/elecstate_base_test.cpp @@ -7,6 +7,7 @@ #include "source_estate/elecstate_tools.h" #include "source_estate/occupy.h" #include "source_io/module_parameter/parameter.h" +#include "source_base/module_fft/fft_bundle.h" #undef protected #undef private From 1912e544541aee3565bb9d05b23ccaa03fbe580a Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Tue, 16 Sep 2025 12:54:21 +0800 Subject: [PATCH 7/7] Finally fix fix test error --- source/source_estate/test/CMakeLists.txt | 3 ++- source/source_estate/test/charge_extra_test.cpp | 1 - source/source_estate/test/elecstate_base_test.cpp | 1 - source/source_hsolver/test/CMakeLists.txt | 4 ++-- source/source_hsolver/test/hsolver_pw_sup.h | 1 - 5 files changed, 4 insertions(+), 6 deletions(-) diff --git a/source/source_estate/test/CMakeLists.txt b/source/source_estate/test/CMakeLists.txt index 2cdcecaef8..f3eddac1a9 100644 --- a/source/source_estate/test/CMakeLists.txt +++ b/source/source_estate/test/CMakeLists.txt @@ -45,6 +45,7 @@ AddTest( TARGET elecstate_base LIBS parameter ${math_libs} base device SOURCES elecstate_base_test.cpp ../elecstate.cpp ../elecstate_tools.cpp ../occupy.cpp ../../source_psi/psi.cpp + ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp ) AddTest( @@ -97,7 +98,7 @@ AddTest( TARGET charge_extra LIBS parameter ${math_libs} base device cell_info SOURCES charge_extra_test.cpp ../module_charge/charge_extra.cpp ../../source_io/read_cube.cpp ../../source_io/write_cube.cpp - ../../source_io/output.cpp + ../../source_io/output.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp ) endif() \ No newline at end of file diff --git a/source/source_estate/test/charge_extra_test.cpp b/source/source_estate/test/charge_extra_test.cpp index 7163248bbf..255c2fbe78 100644 --- a/source/source_estate/test/charge_extra_test.cpp +++ b/source/source_estate/test/charge_extra_test.cpp @@ -67,7 +67,6 @@ PW_Basis::PW_Basis() PW_Basis::~PW_Basis() { } -ModuleBase::FFT_Bundle::~FFT_Bundle(){}; void PW_Basis::initgrids(const double lat0_in, const ModuleBase::Matrix3 latvec_in, const double gridecut) { } diff --git a/source/source_estate/test/elecstate_base_test.cpp b/source/source_estate/test/elecstate_base_test.cpp index f0b81d647c..8e9d212ac9 100644 --- a/source/source_estate/test/elecstate_base_test.cpp +++ b/source/source_estate/test/elecstate_base_test.cpp @@ -64,7 +64,6 @@ ModulePW::PW_Basis::~PW_Basis() ModulePW::PW_Basis_Sup::~PW_Basis_Sup() { } -ModuleBase::FFT_Bundle::~FFT_Bundle() {}; void ModulePW::PW_Basis::initgrids(double, ModuleBase::Matrix3, double) { } diff --git a/source/source_hsolver/test/CMakeLists.txt b/source/source_hsolver/test/CMakeLists.txt index 95b4362958..0649ea8c8e 100644 --- a/source/source_hsolver/test/CMakeLists.txt +++ b/source/source_hsolver/test/CMakeLists.txt @@ -77,14 +77,14 @@ if (ENABLE_MPI) TARGET MODULE_HSOLVER_pw LIBS parameter ${math_libs} psi device base container SOURCES test_hsolver_pw.cpp ../hsolver_pw.cpp ../hsolver_lcaopw.cpp ../diago_bpcg.cpp ../diago_dav_subspace.cpp ../diag_const_nums.cpp ../diago_iter_assist.cpp ../para_linear_transform.cpp - ../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp + ../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp ) AddTest( TARGET MODULE_HSOLVER_sdft LIBS parameter ${math_libs} psi device base container SOURCES test_hsolver_sdft.cpp ../hsolver_pw_sdft.cpp ../hsolver_pw.cpp ../diago_bpcg.cpp ../diago_dav_subspace.cpp ../diag_const_nums.cpp ../diago_iter_assist.cpp ../para_linear_transform.cpp - ../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp + ../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp ) if(ENABLE_LCAO) diff --git a/source/source_hsolver/test/hsolver_pw_sup.h b/source/source_hsolver/test/hsolver_pw_sup.h index 6248d2623a..cc22203167 100644 --- a/source/source_hsolver/test/hsolver_pw_sup.h +++ b/source/source_hsolver/test/hsolver_pw_sup.h @@ -4,7 +4,6 @@ namespace ModulePW { PW_Basis::PW_Basis(){}; PW_Basis::~PW_Basis(){}; -FFT_Bundle::~FFT_Bundle(){}; void PW_Basis::initgrids( const double lat0_in, // unit length (unit in bohr) const ModuleBase::Matrix3