Copied over gvhf-rys to gvhf-mixed-precision folder, set as a startin…

…g point
bytedance · Feb 12, 2025 · 7a6c92e · 7a6c92e
1 parent 3ec4ae6
commit 7a6c92e
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Showing 16 changed files with 74,543 additions and 2 deletions.
diff --git a/gpu4pyscf/lib/CMakeLists.txt b/gpu4pyscf/lib/CMakeLists.txt
@@ -146,6 +146,7 @@ endif()
 
 add_subdirectory(gvhf-rys)
 add_subdirectory(gvhf-md)
+add_subdirectory(gvhf-mixed-precision)
 add_subdirectory(pbc)
 
 option(BUILD_LIBXC "Using libxc for DFT" ON)

diff --git a/gpu4pyscf/lib/gvhf-mixed-precision/CMakeLists.txt b/gpu4pyscf/lib/gvhf-mixed-precision/CMakeLists.txt
@@ -0,0 +1,12 @@
+# set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} --ptxas-options=-v")# -maxrregcount=128")
+
+add_library(gvhf_mixed_precision SHARED
+  rys_contract_jk.cu rys_jk_driver.cu rys_roots_dat.cu
+  unrolled_os.cu unrolled_rys.cu
+)
+
+set_target_properties(gvhf_mixed_precision PROPERTIES
+  LIBRARY_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}
+  CUDA_SEPARABLE_COMPILATION ON)
+
+target_link_libraries(gvhf_mixed_precision OpenMP::OpenMP_C)