optimized

CMakeLists.txt

@@ -1,63 +1,68 @@
 cmake_minimum_required(VERSION 3.18)
 message(STATUS "CMake version: ${CMAKE_VERSION}")
+include(CheckLanguage)
 
-project(spinwalk LANGUAGES CUDA CXX)
+set(project "SpinWalk")
+project(${project})
 
 # Find HDF5
 find_package(HDF5 REQUIRED COMPONENTS CXX)
 
 # Find OpenMP
 find_package(OpenMP REQUIRED)
 
+# Find TBB
+find_package(TBB REQUIRED)
+
 # Boost
 if(CMAKE_VERSION VERSION_GREATER "3.30")
     cmake_policy(SET CMP0167 NEW)
 endif()
 find_package(Boost COMPONENTS program_options log log_setup REQUIRED)
 
-# FindCUDA module
-if(POLICY CMP0146)
-    cmake_policy(SET CMP0146 OLD)
-endif()
-find_package(CUDA)
-# find_package(CUDAToolkit)
-# Find TBB
-find_package(TBB REQUIRED)
-
+check_language(CUDA)
 # Check for CUDA-capable GPU
-if(CUDA_FOUND)
-    # Check for GPU device
-    cuda_select_nvcc_arch_flags(ARCH_FLAGS Auto)
-    if(NOT ARCH_FLAGS)
-        message("No CUDA-capable GPU found")
-    endif()
-    # Set CUDA architecture (change according to your GPU)
-    # set(CUDA_ARCH "-arch=sm_75" CACHE STRING "CUDA architecture")
+if(CMAKE_CUDA_COMPILER)
+    enable_language(CUDA)
     # set_property(TARGET ${target} PROPERTY CUDA_ARCHITECTURES native)
     set(CMAKE_CUDA_ARCHITECTURES 75 86 89)
-    # Add CUDA and OpenMP flags
-    set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} ${CUDA_ARCH} -Xcompiler=${OpenMP_CXX_FLAGS}")
 else()
-    message("CUDA not found")
+    message("CUDA not found. Compiling without GPU support.")
 endif()
 
 set(CMAKE_CXX_STANDARD 20)
-set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
+set(CMAKE_CXX_STANDARD_REQUIRED True)
 set(CMAKE_CXX_FLAGS "-lboost_program_options")
-set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
-set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${OpenMP_EXE_LINKER_FLAGS}")
-# set(Boost_USE_STATIC_LIBS OFF)
 
 # Add Boost and CUDA include directories
 include_directories(${Boost_INCLUDE_DIRS} ${HDF5_INCLUDE_DIRS} ./include ./src ./src/shapes)
 # Add the executable
-add_executable(spinwalk ./src/spinwalk.cu ./src/kernels.cu ./src/file_utils.cpp ./src/shapes/shape_base.cu ./src/shapes/cylinder.cu ./src/shapes/sphere.cu)
+set(SOURCES ./src/spinwalk.cu ./src/kernels.cu ./src/file_utils.cpp ./src/shapes/shape_base.cu ./src/shapes/cylinder.cu ./src/shapes/sphere.cu)
+
 # Link CUDA and OpenMP libraries
+if(CMAKE_CUDA_COMPILER)
+    add_executable(${project} ${SOURCES})
+    target_link_libraries(${project} ${CUDA_LIBRARIES} ${Boost_LIBRARIES} ${HDF5_CXX_LIBRARIES} TBB::tbb)
+else()    
+    set(RENAMED_SOURCES)
+    foreach(OLD_FILE ${SOURCES})
+        # Get the file name without extension
+        get_filename_component(DIR ${OLD_FILE} DIRECTORY)
+        get_filename_component(FILE_NAME_WE ${OLD_FILE} NAME_WE)
+        # Define the new file name
+        set(NEW_FILE ${DIR}/${FILE_NAME_WE}.cpp)        
+        # Copy and rename the file
+        file(COPY_FILE ${OLD_FILE} ${NEW_FILE})
+        list(APPEND RENAMED_SOURCES ${NEW_FILE})
+    endforeach()
+    add_executable(${project} ${RENAMED_SOURCES})
+    target_link_libraries(${project} ${Boost_LIBRARIES} ${HDF5_CXX_LIBRARIES} TBB::tbb)
+endif()
 
-target_link_libraries(spinwalk ${CUDA_LIBRARIES} ${OpenMP_CXX_LIBRARIES} ${Boost_LIBRARIES} ${HDF5_CXX_LIBRARIES} TBB::tbb)
+set_target_properties(${project} PROPERTIES OUTPUT_NAME "spinwalk")
 
 if (UNIX)
-install(TARGETS spinwalk DESTINATION bin) 
+    install(TARGETS ${project} DESTINATION bin) 
 endif()
 
 # cmake ..

Dockerfile

@@ -4,11 +4,10 @@ USER root
 
 # needed for add-apt-repository
 RUN apt-get update && apt install -y software-properties-common && apt-get update && apt-get clean && apt-get -y autoremove && rm -rf /var/lib/apt/lists/*  
-# needed for gcc 11
-RUN add-apt-repository -y ppa:ubuntu-toolchain-r/test  && apt-get clean && apt-get -y autoremove && rm -rf /var/lib/apt/lists/*
 
 # Install the necessary dependencies for TBB and GCC 11
-RUN apt-get update && apt-get install -y --no-install-recommends \
+RUN add-apt-repository -y ppa:ubuntu-toolchain-r/test  && \
+    apt-get update && apt-get install -y --no-install-recommends \
     build-essential \
     cmake \
     libtbb-dev \
@@ -22,25 +21,15 @@ RUN apt-get update && apt-get install -y --no-install-recommends \
     git \
     libboost-all-dev \
     libhdf5-dev \
-    # python3.10 \ 
-    # python3-pip \
-    # python-is-python3 \
-    # python3-venv \
     && apt-get clean && apt-get -y autoremove && rm -rf /var/lib/apt/lists/* 
 
-# RUN apt-get install nvidia-cuda-toolkit
-
 # Set the default GCC version to 11
 RUN update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-11 100 \
     && update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-11 100
 
 RUN update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-11 11 && update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-11 11
 
-# RUN pip install --no-cache-dir --upgrade pip && \
-#     pip install --no-cache-dir numpy torch scipy nibabel ipython jupyter matplotlib tqdm h5py scikit-image scikit-learn seaborn virtualenv && rm -rf /root/.cache
-
 COPY . /opt/SpinWalk/ 
-# Clone the Git repository
 # RUN git clone --depth 1 https://github.com/aghaeifar/SpinWalk.git /opt/SpinWalk
 WORKDIR /opt/SpinWalk
 RUN cmake -B ./build && cmake --build ./build --config Release && cmake --install ./build

Dockerfile_CPU

@@ -0,0 +1,34 @@
+
+FROM ubuntu:24.04
+USER root
+
+# needed for add-apt-repository
+RUN apt-get update && apt install -y software-properties-common && apt-get update && apt-get clean && apt-get -y autoremove && rm -rf /var/lib/apt/lists/*  
+
+# Install the necessary dependencies for TBB and GCC 11
+RUN add-apt-repository -y ppa:ubuntu-toolchain-r/test  && \
+    apt-get update && apt-get install -y --no-install-recommends \    
+    build-essential \
+    cmake \
+    libtbb-dev \
+    gcc-11 \
+    g++-11 \
+    libboost-all-dev \
+    libhdf5-dev \
+    && apt-get clean && apt-get -y autoremove && rm -rf /var/lib/apt/lists/* 
+
+# Set the default GCC version to 11
+RUN update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-11 100 \
+    && update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-11 100
+
+RUN update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-11 11 && update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-11 11
+
+COPY . /opt/SpinWalk/ 
+WORKDIR /opt/SpinWalk
+RUN cmake -B ./build && cmake --build ./build --config Release && cmake --install ./build
+
+LABEL org.opencontainers.image.authors="Ali Aghaeifar"
+
+# docker build -t spinwalk .
+# docker run --gpus all --rm -it --runtime=nvidia spinwalk bash
+#  clear && rm -rf ./build && cmake -B ./build && cmake --build ./build --config Release