Merge branch 'develop' into fix_scf_MPI_ERR_TRUNCATE

AsTonyshment · web-flow · commit d8dd606e9e51 · 2025-05-25T15:04:32.000+08:00
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -83,6 +83,27 @@ jobs:
           OMP_NUM_THREADS: '2'
         run: |
           cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_CELL"
+      
+      - name: Module_MD Unittests
+        env:
+          GTEST_COLOR: 'yes'
+          OMP_NUM_THREADS: '2'
+        run: |
+          cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_MD"
+      
+      - name: Module_Psi Unittests
+        env:
+          GTEST_COLOR: 'yes'
+          OMP_NUM_THREADS: '2'
+        run: |
+          cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_PSI"
+      
+      - name: Module_RI Unittests
+        env:
+          GTEST_COLOR: 'yes'
+          OMP_NUM_THREADS: '2'
+        run: |
+          cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_RI"
 
       - name: 01_PW Test
         env:
@@ -159,4 +180,4 @@ jobs:
           GTEST_COLOR: 'yes'
           OMP_NUM_THREADS: '2'
         run: |
-          cmake --build build --target test ARGS="-V --timeout 1700 -E 'integrate_test|01_PW|02_NAO_Gamma|03_NAO_multik|04_LJ_DP|05_rtTDDFT|06_SDFT|07_OFDFT|08_EXX|09_DeePKS|10_others|11_PW_GPU|12_NAO_Gamma_GPU|13_NAO_multik_GPU|15_rtTDDFT_GPU|16_SDFT_GPU|MODULE_BASE|MODULE_IO|MODULE_HSOLVER|MODULE_CELL'"
+          cmake --build build --target test ARGS="-V --timeout 1700 -E 'integrate_test|01_PW|02_NAO_Gamma|03_NAO_multik|04_LJ_DP|05_rtTDDFT|06_SDFT|07_OFDFT|08_EXX|09_DeePKS|10_others|11_PW_GPU|12_NAO_Gamma_GPU|13_NAO_multik_GPU|15_rtTDDFT_GPU|16_SDFT_GPU|MODULE_BASE|MODULE_IO|MODULE_HSOLVER|MODULE_CELL|MODULE_MD|MODULE_PSI|MODULE_RI'"
diff --git a/source/module_base/grid/test/CMakeLists.txt b/source/module_base/grid/test/CMakeLists.txt
@@ -1,28 +1,28 @@
 remove_definitions(-D__MPI)
 
 AddTest(
-  TARGET test_delley
+  TARGET MODULE_BASE_GRID_test_delley
   SOURCES test_delley.cpp
   ../delley.cpp
   ../../ylm.cpp
 )
 
 AddTest(
-  TARGET test_radial
+  TARGET MODULE_BASE_GRID_test_radial
   SOURCES test_radial.cpp
   ../radial.cpp
 )
 
 AddTest(
-  TARGET test_partition
+  TARGET MODULE_BASE_GRID_test_partition
   SOURCES test_partition.cpp
   ../partition.cpp
   ../radial.cpp
   ../delley.cpp
 )
 
 AddTest(
-  TARGET test_batch
+  TARGET MODULE_BASE_GRID_test_batch
   SOURCES test_batch.cpp
   ../batch.cpp
   LIBS ${math_libs}
diff --git a/source/module_base/kernels/test/CMakeLists.txt b/source/module_base/kernels/test/CMakeLists.txt
@@ -1,7 +1,7 @@
 remove_definitions(-D__MPI)
 
 AddTest(
-    TARGET Base_Kernels_UTs
+    TARGET MODULE_BASE_KERNELS_Unittests
     LIBS parameter ${math_libs} base device 
     SOURCES math_ylm_op_test.cpp math_kernel_test.cpp
 )
diff --git a/source/module_base/libm/test/CMakeLists.txt b/source/module_base/libm/test/CMakeLists.txt
@@ -1,7 +1,7 @@
 remove_definitions(-D__MPI)
 
 AddTest(
-    TARGET Base_Libm_UTs
+    TARGET MODULE_BASE_LIBM_UTs
     SOURCES libm_test.cpp
     ../branred.cpp
     ../cexp.cpp
diff --git a/source/module_base/module_container/test/CMakeLists.txt b/source/module_base/module_container/test/CMakeLists.txt
@@ -1,7 +1,7 @@
 remove_definitions(-D__MPI)
 
 AddTest(
-  TARGET container_uts
+  TARGET MODULE_BASE_CONTAINER_Unittests
   LIBS parameter container base device ${math_libs}
   SOURCES tensor_test.cpp tensor_shape_test.cpp allocator_test.cpp
   tensor_buffer_test.cpp tensor_map_test.cpp
diff --git a/source/module_base/module_device/test/CMakeLists.txt b/source/module_base/module_device/test/CMakeLists.txt
@@ -1,5 +1,5 @@
 AddTest(
-  TARGET Module_Device_UTs
+  TARGET MODULE_BASE_DEVICE_Unittests
   LIBS parameter ${math_libs} base device 
   SOURCES memory_test.cpp device_test.cpp
 )
diff --git a/source/module_base/module_mixing/test/CMakeLists.txt b/source/module_base/module_mixing/test/CMakeLists.txt
@@ -1,6 +1,6 @@
 remove_definitions(-D__MPI)
 AddTest(
-  TARGET test_mixing
+  TARGET MODULE_BASE_MIXING_unittests
   LIBS parameter base device ${math_libs} 
   SOURCES mixing_test.cpp
 )
diff --git a/source/module_cell/module_neighbor/test/CMakeLists.txt b/source/module_cell/module_neighbor/test/CMakeLists.txt
@@ -5,19 +5,19 @@ remove_definitions(-D__ROCM)
 remove_definitions(-D__EXX)
 
 AddTest(
-  TARGET cell_neighbor_sltk_atom
+  TARGET MODULE_CELL_NEIGHBOR_sltk_atom
   SOURCES sltk_atom_test.cpp ../sltk_atom.cpp
 )
 
 AddTest(
-  TARGET cell_neighbor_sltk_grid
+  TARGET MODULE_CELL_NEIGHBOR_sltk_grid
   LIBS parameter ${math_libs} base device cell_info 
   SOURCES sltk_grid_test.cpp ../sltk_grid.cpp ../sltk_atom.cpp
     ../../../module_io/output.cpp
 )
 
 AddTest(
-  TARGET cell_neighbor_sltk_atom_arrange
+  TARGET MODULE_CELL_NEIGHBOR_sltk_atom_arrange
   LIBS parameter ${math_libs} base device cell_info 
   SOURCES sltk_atom_arrange_test.cpp  ../sltk_atom_arrange.cpp ../sltk_grid_driver.cpp ../sltk_grid.cpp
   ../sltk_atom.cpp
diff --git a/source/module_cell/module_symmetry/test/CMakeLists.txt b/source/module_cell/module_symmetry/test/CMakeLists.txt
@@ -3,12 +3,12 @@ remove_definitions(-D__DEEPKS)
 remove_definitions(-D__CUDA)
 remove_definitions(-D__ROCM)
 AddTest(
-  TARGET symmetry_analysis
+  TARGET MODULE_CELL_SYMMETRY_analysis
   LIBS parameter base ${math_libs} device symmetry 
   SOURCES symmetry_test.cpp symmetry_test_analysis.cpp
 )
 AddTest(
-  TARGET symmetry_symtrz
+  TARGET MODULE_CELL_SYMMETRY_symtrz
   LIBS parameter base ${math_libs} device symmetry 
   SOURCES symmetry_test.cpp symmetry_test_symtrz.cpp
 )
diff --git a/source/module_hsolver/kernels/test/CMakeLists.txt b/source/module_hsolver/kernels/test/CMakeLists.txt
@@ -3,15 +3,15 @@ remove_definitions(-D__ROCM)
 
 if(USE_CUDA OR USE_ROCM)
     AddTest(
-        TARGET Hsolver_Kernels_UTs
+        TARGET MODULE_HSOLVER_KERNELS_Unittests
         LIBS parameter ${math_libs} base device
         SOURCES math_dngvd_test.cpp
     )
 endif()
 
 if(ENABLE_GOOGLEBENCH)
     AddTest(
-        TARGET Perf_Hsolver_Kernels
+        TARGET PERF_MODULE_HSOLVER_KERNELS
         LIBS parameter ${math_libs} base device
         SOURCES perf_math_kernel.cpp
     )
diff --git a/source/module_io/json_output/test/CMakeLists.txt b/source/module_io/json_output/test/CMakeLists.txt
@@ -4,7 +4,7 @@ remove_definitions(-D__ROCM)
 remove_definitions(-D__EXX)
 
 AddTest(
-  TARGET io_json_output_json
+  TARGET MODULE_IO_JSON_OUTPUT_TEST
   LIBS parameter ${math_libs} base device cell_info 
   SOURCES para_json_test.cpp ../general_info.cpp ../init_info.cpp ../readin_info.cpp 
   ../../para_json.cpp ../abacusjson.cpp ../../output.cpp 
diff --git a/source/module_io/test_serial/CMakeLists.txt b/source/module_io/test_serial/CMakeLists.txt
@@ -25,38 +25,38 @@ add_library(
 
 install(DIRECTORY support DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
 AddTest(
-  TARGET io_read_input_serial
+  TARGET MODULE_IO_read_input_serial
   LIBS parameter ${math_libs} io_input_serial 
   SOURCES read_input_test.cpp 
           ../../module_base/test/tool_quit_no_exit.cpp 
           ../../module_base/module_device/device.cpp
 )
 
 AddTest(
-  TARGET io_read_item_serial
+  TARGET MODULE_IO_read_item_serial
   LIBS parameter ${math_libs} base device io_input_serial 
   SOURCES read_input_item_test.cpp
 )
 
 AddTest(
-  TARGET io_read_input_tool
+  TARGET MODULE_IO_read_input_tool
   SOURCES read_input_tool_test.cpp
 )
 
 AddTest(
-  TARGET io_rho_io
+  TARGET MODULE_IO_rho_io
   LIBS parameter ${math_libs} base device cell_info 
   SOURCES rho_io_test.cpp ../read_cube.cpp ../write_cube.cpp ../output.cpp
 )
 
 AddTest(
-  TARGET io_nscf_band
+  TARGET MODULE_IO_nscf_band
   LIBS parameter ${math_libs} base device
   SOURCES nscf_band_test.cpp ../nscf_band.cpp
 )
 
 AddTest(
-  TARGET io_system_variable_test
+  TARGET MODULE_IO_system_variable_test
   LIBS parameter ${math_libs} base device io_input_serial 
   SOURCES io_system_variable_test.cpp
 )
diff --git a/source/module_md/test/CMakeLists.txt b/source/module_md/test/CMakeLists.txt
@@ -59,21 +59,21 @@ list(APPEND depend_files
 )
 
 AddTest(
-  TARGET md_LJ_pot
+  TARGET MODULE_MD_LJ_pot
   LIBS parameter ${math_libs} psi device 
   SOURCES lj_pot_test.cpp  
   ${depend_files}
 )
 
 AddTest(
-  TARGET md_func
+  TARGET MODULE_MD_func
   LIBS parameter ${math_libs} psi device 
   SOURCES md_func_test.cpp  
   ${depend_files}
 )
 
 AddTest(
-  TARGET md_fire
+  TARGET MODULE_MD_fire
   LIBS parameter ${math_libs} psi device 
   SOURCES fire_test.cpp
   ../md_base.cpp
@@ -82,7 +82,7 @@ AddTest(
 )
 
 AddTest(
-  TARGET md_verlet
+  TARGET MODULE_MD_verlet
   LIBS parameter ${math_libs} psi device 
   SOURCES verlet_test.cpp
   ../md_base.cpp
@@ -91,7 +91,7 @@ AddTest(
 )
 
 AddTest(
-  TARGET md_nhc
+  TARGET MODULE_MD_nhc
   LIBS parameter ${math_libs} psi device 
   SOURCES nhchain_test.cpp
   ../md_base.cpp
@@ -101,7 +101,7 @@ AddTest(
 )
 
 AddTest(
-  TARGET md_msst
+  TARGET MODULE_MD_msst
   LIBS parameter ${math_libs} psi device 
   SOURCES msst_test.cpp
   ../md_base.cpp
@@ -112,7 +112,7 @@ AddTest(
 )
 
 AddTest(
-  TARGET md_lgv
+  TARGET MODULE_MD_lgv
   LIBS parameter ${math_libs} psi device 
   SOURCES langevin_test.cpp
   ../md_base.cpp
diff --git a/source/module_psi/test/CMakeLists.txt b/source/module_psi/test/CMakeLists.txt
@@ -1,5 +1,5 @@
 AddTest(
-    TARGET psi_UT
+    TARGET MODULE_PSI_Unittests
     LIBS parameter ${math_libs} base device 
     SOURCES 
         psi_test.cpp
@@ -8,7 +8,7 @@ AddTest(
 
 if(ENABLE_LCAO)
 AddTest(
-    TARGET psi_initializer_unit_test
+    TARGET MODULE_PSI_initializer_unit_test
     LIBS parameter ${math_libs} base device psi psi_initializer planewave 
     SOURCES
         psi_initializer_unit_test.cpp
diff --git a/source/module_ri/module_exx_symmetry/test/CMakeLists.txt b/source/module_ri/module_exx_symmetry/test/CMakeLists.txt
@@ -2,7 +2,7 @@ remove_definitions(-D__DEEPKS)
 remove_definitions(-D__CUDA)
 remove_definitions(-D__ROCM)
 AddTest(
-  TARGET symmetry_rotation
+  TARGET MODULE_RI_EXX_SYMMETRY_rotation
   LIBS base ${math_libs} device symmetry neighbor parameter
   SOURCES symmetry_rotation_test.cpp ../symmetry_rotation.cpp ../irreducible_sector.cpp ../irreducible_sector_bvk.cpp
   ../../../module_basis/module_ao/parallel_orbitals.cpp
diff --git a/source/module_ri/test/CMakeLists.txt b/source/module_ri/test/CMakeLists.txt
@@ -2,12 +2,12 @@ remove_definitions(-D__DEEPKS)
 remove_definitions(-D__CUDA)
 remove_definitions(-D__ROCM)
 AddTest(
-  TARGET dm_mixing_test
+  TARGET MODULE_RI_dm_mixing_test
   LIBS parameter base ${math_libs} device
   SOURCES dm_mixing_test.cpp ../Mix_DMk_2D.cpp ../Mix_Matrix.cpp
 )
 AddTest(
-  TARGET ri_cv_io_test
+  TARGET MODULE_RI_ri_cv_io_test
   LIBS base ${math_libs} device parameter
   SOURCES ri_cv_io_test.cpp
 )

Original file line number	Diff line number	Diff line change
`@@ -1,7 +1,7 @@`
`1`	`1`	`remove_definitions(-D__MPI)`
`2`	`2`
`3`	`3`	`AddTest(`
`4`		`- TARGET Base_Kernels_UTs`
	`4`	`+ TARGET MODULE_BASE_KERNELS_Unittests`
`5`	`5`	`LIBS parameter ${math_libs} base device`
`6`	`6`	`SOURCES math_ylm_op_test.cpp math_kernel_test.cpp`
`7`	`7`	`)`
Original file line number	Diff line number	Diff line change
`@@ -1,5 +1,5 @@`
`1`	`1`	`AddTest(`
`2`		`- TARGET Module_Device_UTs`
	`2`	`+ TARGET MODULE_BASE_DEVICE_Unittests`
`3`	`3`	`LIBS parameter ${math_libs} base device`
`4`	`4`	`SOURCES memory_test.cpp device_test.cpp`
`5`	`5`	`)`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`remove_definitions(-D__MPI)`
`2`	`2`	`AddTest(`
`3`		`- TARGET test_mixing`
	`3`	`+ TARGET MODULE_BASE_MIXING_unittests`
`4`	`4`	`LIBS parameter base device ${math_libs}`
`5`	`5`	`SOURCES mixing_test.cpp`
`6`	`6`	`)`