Commit 8f2f6e39 authored by Peter Eastman's avatar Peter Eastman
Browse files

Lots of mystical CMake incantations to make Cuda platform compile both static...

Lots of mystical CMake incantations to make Cuda platform compile both static and dynamic libraries correctly
parent 93354c21
......@@ -82,27 +82,6 @@ ENDFOREACH(subdir)
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
SET(FINDCUDA_DIR ${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake)
#
# Include CUDA related files.
#
INCLUDE(${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
LINK_DIRECTORIES(${CUDA_TARGET_LINK})
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.cu ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*/*.cu)
FOREACH(file ${src_files})
FILE(RELATIVE_PATH file ${CMAKE_CURRENT_SOURCE_DIR} ${file})
# MESSAGE(${file})
SET(SOURCE_FILES ${SOURCE_FILES} ${file}) #append
ENDFOREACH(file)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include)
ENDFOREACH(subdir)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
CUDA_ADD_LIBRARY(${SHARED_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
#CUDA_ADD_LIBRARY(${STATIC_TARGET} STATIC ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${OPENMM_LIBRARY_NAME}_d optimized ${OPENMM_LIBRARY_NAME})
#TARGET_LINK_LIBRARIES(${STATIC_TARGET} debug ${OPENMM_LIBRARY_NAME}_static_d optimized ${OPENMM_LIBRARY_NAME}_static)
SUBDIRS (sharedTarget staticTarget)
......@@ -53,7 +53,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file)
IF(${CMAKE_MAKE_PROGRAM} MATCHES "make")
IF(NOT EXISTS ${dependency_file})
CONFIGURE_FILE(
${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/empty.depend.in
${FINDCUDA_DIR}/empty.depend.in
${dependency_file} IMMEDIATE)
ENDIF(NOT EXISTS ${dependency_file})
# Always include this file to force CMake to run again next
......@@ -92,7 +92,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file)
SET(CUDA_NVCC_DEPEND ${dependency_file})
# Force CMake to run again next build
CONFIGURE_FILE(
${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/empty.depend.in
${FINDCUDA_DIR}/empty.depend.in
${dependency_file} IMMEDIATE)
ENDIF(CUDA_NVCC_DEPEND_REGENERATE)
......
###############################################################################
# For more information, please see: http://software.sci.utah.edu
#
# The MIT License
#
# Copyright (c) 2007-2008
# Scientific Computing and Imaging Institute, University of Utah
#
# License for the specific language governing rights and limitations under
# Permission is hereby granted, free of charge, to any person obtaining a
# copy of this software and associated documentation files (the "Software"),
# to deal in the Software without restriction, including without limitation
# the rights to use, copy, modify, merge, publish, distribute, sublicense,
# and/or sell copies of the Software, and to permit persons to whom the
# Software is furnished to do so, subject to the following conditions:
#
# The above copyright notice and this permission notice shall be included
# in all copies or substantial portions of the Software.
#
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS
# OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# This script locates the Nvidia Compute Unified Driver Architecture (CUDA)
# tools. It should work on linux, windows, and mac and should be reasonably
# up to date with cuda releases.
#
# The script will prompt the user to specify CUDA_INSTALL_PREFIX if the
# prefix cannot be determined by the location of nvcc in the system path. To
# use a different installed version of the toolkit set the environment variable
# CUDA_BIN_PATH before running cmake (e.g. CUDA_BIN_PATH=/usr/local/cuda1.0
# instead of the default /usr/local/cuda).
#
# Set CUDA_BUILD_TYPE to "Device" or "Emulation" mode.
# _DEVICEEMU is defined in "Emulation" mode.
#
# Set CUDA_BUILD_CUBIN to "ON" or "OFF" to enable and extra compilation pass
# with the -cubin option in Device mode. The output is parsed and register,
# shared memory usage is printed during build. Default ON.
#
# The script creates the following macros:
# CUDA_INCLUDE_DIRECTORIES( path0 path1 ... )
# -- Sets the directories that should be passed to nvcc
# (e.g. nvcc -Ipath0 -Ipath1 ... ). These paths usually contain other .cu
# files.
#
# CUDA_ADD_LIBRARY( cuda_target file0 file1 ... )
# -- Creates a shared library "cuda_target" which contains all of the source
# (*.c, *.cc, etc.) specified and all of the nvcc'ed .cu files specified.
# All of the specified source files and generated .cpp files are compiled
# using the standard CMake compiler, so the normal INCLUDE_DIRECTORIES,
# LINK_DIRECTORIES, and TARGET_LINK_LIBRARIES can be used to affect their
# build and link.
#
# CUDA_ADD_EXECUTABLE( cuda_target file0 file1 ... )
# -- Same as CUDA_ADD_LIBRARY except that an exectuable is created.
#
# CUDA_COMPILE( cuda_files file0 file1 ... )
# -- Returns a list of build commands in the first argument to be used with
# ADD_LIBRARY or ADD_EXECUTABLE.
#
# The script defines the following variables:
#
# ( Note CUDA_ADD_* macros setup cuda/cut library dependencies automatically.
# These variables are only needed if a cuda API call must be made from code in
# a outside library or executable. )
#
# CUDA_INCLUDE -- Include directory for cuda headers.
# CUDA_TARGET_LINK -- Cuda RT library.
# CUDA_CUT_INCLUDE -- Include directory for cuda SDK headers (cutil.h).
# CUDA_CUT_TARGET_LINK -- SDK libraries.
# CUDA_NVCC_FLAGS -- Additional NVCC command line arguments. NOTE:
# multiple arguments must be semi-colon delimited
# e.g. --compiler-options;-Wall
# CUBLAS_TARGET_LINK-- cublas library name.
# CUFFT_TARGET_LINK -- cubfft library name.
#
# The nvcc flag "--host-compilation;c++" should be used if functions declared
# as __host__ contain C++ code.
#
# It might be necessary to set CUDA_INSTALL_PATH manually on certain platforms,
# or to use a cuda runtime not installed in the default location. In newer
# versions of the toolkit the cuda library is included with the graphics
# driver- be sure that the driver version matches what is needed by the cuda
# runtime version.
#
# -- Abe Stephens SCI Institute -- http://www.sci.utah.edu/~abe/FindCuda.html
###############################################################################
# FindCuda.cmake
CMAKE_MINIMUM_REQUIRED(VERSION 2.4)
INCLUDE(${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/CudaDependency.cmake)
###############################################################################
###############################################################################
# Locate CUDA, Set Build Type, etc.
###############################################################################
###############################################################################
# Parse CUDA build type.
IF (NOT CUDA_BUILD_TYPE)
SET(CUDA_BUILD_TYPE "Emulation" CACHE STRING "Cuda build type: Emulation or Device")
ENDIF(NOT CUDA_BUILD_TYPE)
# Emulation if the card isn't present.
IF (CUDA_BUILD_TYPE MATCHES "Emulation")
# Emulation.
SET(nvcc_flags --device-emulation -D_DEVICEEMU -g)
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
# Device present.
SET(nvcc_flags "")
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUDA_BUILD_CUBIN TRUE CACHE BOOL "Generate and parse .cubin files in Device mode.")
SET(CUDA_NVCC_FLAGS "" CACHE STRING "Semi-colon delimit multiple arguments.")
# Search for the cuda distribution.
IF(NOT CUDA_INSTALL_PREFIX)
FIND_PATH(CUDA_INSTALL_PREFIX
NAMES nvcc
PATHS /usr/local/cuda
PATH_SUFFIXES bin
ENV CUDA_BIN_PATH
DOC "Toolkit location."
)
IF (CUDA_INSTALL_PREFIX)
STRING(REGEX REPLACE "[/\\\\]?bin[/\\\\]?$" "" CUDA_INSTALL_PREFIX ${CUDA_INSTALL_PREFIX})
ENDIF(CUDA_INSTALL_PREFIX)
IF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
MESSAGE(FATAL_ERROR "Specify CUDA_INSTALL_PREFIX")
ENDIF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
ENDIF (NOT CUDA_INSTALL_PREFIX)
# CUDA_NVCC
IF (NOT CUDA_NVCC)
FIND_PROGRAM(CUDA_NVCC
nvcc
PATHS ${CUDA_INSTALL_PREFIX}/bin $ENV{CUDA_BIN_PATH}
)
IF(NOT CUDA_NVCC)
MESSAGE(FATAL_ERROR "Could not find nvcc")
ELSE(NOT CUDA_NVCC)
MARK_AS_ADVANCED(CUDA_NVCC)
ENDIF(NOT CUDA_NVCC)
ENDIF(NOT CUDA_NVCC)
# CUDA_NVCC_INCLUDE_ARGS
# IF (NOT FOUND_CUDA_NVCC_INCLUDE)
FIND_PATH(FOUND_CUDA_NVCC_INCLUDE
device_functions.h # Header included in toolkit
PATHS ${CUDA_INSTALL_PREFIX}/include
$ENV{CUDA_INC_PATH}
)
IF(NOT FOUND_CUDA_NVCC_INCLUDE)
MESSAGE(FATAL_ERROR "Could not find Cuda headers")
ELSE(NOT FOUND_CUDA_NVCC_INCLUDE)
# Set the initial include dir.
SET (CUDA_NVCC_INCLUDE_ARGS "-I"${FOUND_CUDA_NVCC_INCLUDE})
SET (CUDA_INCLUDE ${FOUND_CUDA_NVCC_INCLUDE})
MARK_AS_ADVANCED(
FOUND_CUDA_NVCC_INCLUDE
CUDA_NVCC_INCLUDE_ARGS
)
ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# CUDA_TARGET_LINK
IF (NOT CUDA_TARGET_LINK)
FIND_LIBRARY(FOUND_CUDART
cudart
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cudart\" library"
)
# Check to see if cudart library was found.
IF(NOT FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cudart library (cudart)")
ENDIF(NOT FOUND_CUDART)
# 1.1 toolkit on linux doesn't appear to have a separate library on
# some platforms.
FIND_LIBRARY(FOUND_CUDA
cuda
PATHS ${CUDA_INSTALL_PREFIX}/lib
DOC "\"cuda\" library (older versions only)."
NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH
)
# Add cuda library to the link line only if it is found.
IF (FOUND_CUDA)
SET(CUDA_TARGET_LINK ${FOUND_CUDA})
ENDIF(FOUND_CUDA)
# Always add cudart to the link line.
IF(FOUND_CUDART)
SET(CUDA_TARGET_LINK
${CUDA_TARGET_LINK} ${FOUND_CUDART}
)
MARK_AS_ADVANCED(
CUDA_TARGET_LINK
CUDA_LIB
FOUND_CUDA
FOUND_CUDART
)
ELSE(FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cuda libraries.")
ENDIF(FOUND_CUDART)
ENDIF(NOT CUDA_TARGET_LINK)
# CUDA_CUT_INCLUDE
IF(NOT CUDA_CUT_INCLUDE)
FIND_PATH(FOUND_CUT_INCLUDE
cutil.h
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/common/inc
$ENV{NVSDKCUDA_ROOT}/common/inc
DOC "Location of cutil.h"
)
IF(FOUND_CUT_INCLUDE)
SET(CUDA_CUT_INCLUDE ${FOUND_CUT_INCLUDE})
MARK_AS_ADVANCED(
FOUND_CUT_INCLUDE
)
ENDIF(FOUND_CUT_INCLUDE)
ENDIF(NOT CUDA_CUT_INCLUDE)
# CUDA_CUT_TARGET_LINK
IF(NOT CUDA_CUT_TARGET_LINK)
FIND_LIBRARY(FOUND_CUT
cutil
cutil32
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/lib
$ENV{NVSDKCUDA_ROOT}/common/lib
NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH
DOC "Location of cutil library"
)
IF(FOUND_CUT)
SET(CUDA_CUT_TARGET_LINK ${FOUND_CUT})
MARK_AS_ADVANCED(
FOUND_CUT
)
ENDIF(FOUND_CUT)
# Add variables for cufft and cublas target link
FIND_LIBRARY(FOUND_CUFFTEMU
cufftemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufftemu\" library"
)
FIND_LIBRARY(FOUND_CUBLASEMU
cublasemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublasemu\" library"
)
FIND_LIBRARY(FOUND_CUFFT
cufft
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufft\" library"
)
FIND_LIBRARY(FOUND_CUBLAS
cublas
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublas\" library"
)
IF (CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFTEMU})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLASEMU})
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFT})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLAS})
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
ENDIF(NOT CUDA_CUT_TARGET_LINK)
###############################################################################
# Add include directories to pass to the nvcc command.
MACRO(CUDA_INCLUDE_DIRECTORIES)
FOREACH(dir ${ARGN})
SET(CUDA_NVCC_INCLUDE_ARGS ${CUDA_NVCC_INCLUDE_ARGS} -I${dir})
ENDFOREACH(dir ${ARGN})
ENDMACRO(CUDA_INCLUDE_DIRECTORIES)
##############################################################################
##############################################################################
# This helper macro populates the following variables and setups up custom commands and targets to
# invoke the nvcc compiler. The compiler is invoked once with -M to generate a dependency file and
# a second time with -cuda to generate a .cpp file
# ${target_srcs}
# ${cuda_cu_sources}
##############################################################################
##############################################################################
MACRO(CUDA_add_custom_commands cuda_target)
SET(target_srcs "")
SET(cuda_cu_sources "")
# Iterate over the macro arguments and create custom
# commands for all the .cu files.
FOREACH(file ${ARGN})
IF(${file} MATCHES ".*\\.cu$")
# Add a custom target to generate a c file.
SET(generated_file "${CMAKE_BINARY_DIR}/src/cuda/${file}_${cuda_target}_generated.cpp")
SET(generated_target "${file}_target")
FILE(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/src/cuda)
SET(source_file ${CMAKE_CURRENT_SOURCE_DIR}/${file})
# MESSAGE("${CUDA_NVCC} ${source_file} ${CUDA_NVCC_FLAGS} ${nvcc_flags} -cuda -o ${generated_file} ${CUDA_NVCC_INCLUDE_ARGS}")
# Bring in the dependencies. Creates a variable CUDA_NVCC_DEPEND
SET(cmake_dependency_file "${generated_file}.depend")
CUDA_INCLUDE_NVCC_DEPENDENCIES(${cmake_dependency_file})
SET(NVCC_generated_dependency_file "${generated_file}.NVCC-depend")
# Build the NVCC made dependency file
IF (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
SET(NVCC_generated_cubin_file "${generated_file}.NVCC-cubin.txt")
ADD_CUSTOM_COMMAND(
# Generate the .cubin output.
OUTPUT ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
-cubin
-o ${NVCC_generated_cubin_file}
${CUDA_NVCC_INCLUDE_ARGS}
# Execute the parser script.
COMMAND ${CMAKE_COMMAND}
ARGS
-D input_file="${NVCC_generated_cubin_file}"
-P "${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/parse_cubin.cmake"
# MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC -cubin File: ${NVCC_generated_cubin_file}\n"
)
ELSE (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
# Depend on something that will exist.
SET(NVCC_generated_cubin_file "${source_file}")
ENDIF (CUDA_BUILD_TYPE MATCHES "Device"AND CUDA_BUILD_CUBIN)
# Build the NVCC made dependency file
ADD_CUSTOM_COMMAND(
OUTPUT ${NVCC_generated_dependency_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
-M
-o ${NVCC_generated_dependency_file}
${CUDA_NVCC_INCLUDE_ARGS}
# MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC Dependency File: ${NVCC_generated_dependency_file}\n"
)
# Build the CMake readible dependency file
ADD_CUSTOM_COMMAND(
OUTPUT ${cmake_dependency_file}
COMMAND ${CMAKE_COMMAND}
ARGS
-D input_file="${NVCC_generated_dependency_file}"
-D output_file="${cmake_dependency_file}"
-P "${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/make2cmake.cmake"
MAIN_DEPENDENCY ${NVCC_generated_dependency_file}
COMMENT "Converting NVCC dependency to CMake (${cmake_dependency_file})"
)
ADD_CUSTOM_COMMAND(
OUTPUT ${generated_file}
MAIN_DEPENDENCY ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
DEPENDS ${cmake_dependency_file}
DEPENDS ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
--keep
-cuda -o ${generated_file}
${CUDA_NVCC_INCLUDE_ARGS}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC ${source_file}: ${generated_file}\n"
)
SET(cuda_cu_sources ${cuda_cu_sources} ${source_file})
# Add the generated file name to the source list.
SET(target_srcs ${target_srcs} ${generated_file})
ELSE(${file} MATCHES ".*\\.cu$")
# Otherwise add the file name to the source list.
SET(target_srcs ${target_srcs} ${file})
ENDIF(${file} MATCHES ".*\\.cu$")
ENDFOREACH(file)
ENDMACRO(CUDA_add_custom_commands)
###############################################################################
###############################################################################
# ADD LIBRARY
###############################################################################
###############################################################################
MACRO(CUDA_ADD_LIBRARY cuda_target)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library.
ADD_LIBRARY(${cuda_target}
${target_srcs}
${cuda_cu_sources}
)
TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK}
)
ENDMACRO(CUDA_ADD_LIBRARY cuda_target)
###############################################################################
###############################################################################
# ADD EXECUTABLE
###############################################################################
###############################################################################
MACRO(CUDA_ADD_EXECUTABLE cuda_target)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library.
ADD_EXECUTABLE(${cuda_target}
${target_srcs}
${cuda_cu_sources}
)
TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK}
)
ENDMACRO(CUDA_ADD_EXECUTABLE cuda_target)
###############################################################################
###############################################################################
# ADD EXECUTABLE
###############################################################################
###############################################################################
MACRO(CUDA_COMPILE file_variable)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( cuda_compile ${ARGN} )
SET(file_variable ${target_srcs} ${cuda_cu_sources})
###############################################################################
# For more information, please see: http://software.sci.utah.edu
#
# The MIT License
#
# Copyright (c) 2007-2008
# Scientific Computing and Imaging Institute, University of Utah
#
# License for the specific language governing rights and limitations under
# Permission is hereby granted, free of charge, to any person obtaining a
# copy of this software and associated documentation files (the "Software"),
# to deal in the Software without restriction, including without limitation
# the rights to use, copy, modify, merge, publish, distribute, sublicense,
# and/or sell copies of the Software, and to permit persons to whom the
# Software is furnished to do so, subject to the following conditions:
#
# The above copyright notice and this permission notice shall be included
# in all copies or substantial portions of the Software.
#
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS
# OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# This script locates the Nvidia Compute Unified Driver Architecture (CUDA)
# tools. It should work on linux, windows, and mac and should be reasonably
# up to date with cuda releases.
#
# The script will prompt the user to specify CUDA_INSTALL_PREFIX if the
# prefix cannot be determined by the location of nvcc in the system path. To
# use a different installed version of the toolkit set the environment variable
# CUDA_BIN_PATH before running cmake (e.g. CUDA_BIN_PATH=/usr/local/cuda1.0
# instead of the default /usr/local/cuda).
#
# Set CUDA_BUILD_TYPE to "Device" or "Emulation" mode.
# _DEVICEEMU is defined in "Emulation" mode.
#
# Set CUDA_BUILD_CUBIN to "ON" or "OFF" to enable and extra compilation pass
# with the -cubin option in Device mode. The output is parsed and register,
# shared memory usage is printed during build. Default ON.
#
# The script creates the following macros:
# CUDA_INCLUDE_DIRECTORIES( path0 path1 ... )
# -- Sets the directories that should be passed to nvcc
# (e.g. nvcc -Ipath0 -Ipath1 ... ). These paths usually contain other .cu
# files.
#
# CUDA_ADD_LIBRARY( cuda_target file0 file1 ... )
# -- Creates a shared library "cuda_target" which contains all of the source
# (*.c, *.cc, etc.) specified and all of the nvcc'ed .cu files specified.
# All of the specified source files and generated .cpp files are compiled
# using the standard CMake compiler, so the normal INCLUDE_DIRECTORIES,
# LINK_DIRECTORIES, and TARGET_LINK_LIBRARIES can be used to affect their
# build and link.
#
# CUDA_ADD_EXECUTABLE( cuda_target file0 file1 ... )
# -- Same as CUDA_ADD_LIBRARY except that an exectuable is created.
#
# CUDA_COMPILE( cuda_files file0 file1 ... )
# -- Returns a list of build commands in the first argument to be used with
# ADD_LIBRARY or ADD_EXECUTABLE.
#
# The script defines the following variables:
#
# ( Note CUDA_ADD_* macros setup cuda/cut library dependencies automatically.
# These variables are only needed if a cuda API call must be made from code in
# a outside library or executable. )
#
# CUDA_INCLUDE -- Include directory for cuda headers.
# CUDA_TARGET_LINK -- Cuda RT library.
# CUDA_CUT_INCLUDE -- Include directory for cuda SDK headers (cutil.h).
# CUDA_CUT_TARGET_LINK -- SDK libraries.
# CUDA_NVCC_FLAGS -- Additional NVCC command line arguments. NOTE:
# multiple arguments must be semi-colon delimited
# e.g. --compiler-options;-Wall
# CUBLAS_TARGET_LINK-- cublas library name.
# CUFFT_TARGET_LINK -- cubfft library name.
#
# The nvcc flag "--host-compilation;c++" should be used if functions declared
# as __host__ contain C++ code.
#
# It might be necessary to set CUDA_INSTALL_PATH manually on certain platforms,
# or to use a cuda runtime not installed in the default location. In newer
# versions of the toolkit the cuda library is included with the graphics
# driver- be sure that the driver version matches what is needed by the cuda
# runtime version.
#
# -- Abe Stephens SCI Institute -- http://www.sci.utah.edu/~abe/FindCuda.html
###############################################################################
# FindCuda.cmake
CMAKE_MINIMUM_REQUIRED(VERSION 2.4)
INCLUDE(${FINDCUDA_DIR}/CudaDependency.cmake)
###############################################################################
###############################################################################
# Locate CUDA, Set Build Type, etc.
###############################################################################
###############################################################################
# Parse CUDA build type.
IF (NOT CUDA_BUILD_TYPE)
SET(CUDA_BUILD_TYPE "Emulation" CACHE STRING "Cuda build type: Emulation or Device")
ENDIF(NOT CUDA_BUILD_TYPE)
# Emulation if the card isn't present.
IF (CUDA_BUILD_TYPE MATCHES "Emulation")
# Emulation.
SET(nvcc_flags --device-emulation -D_DEVICEEMU -g)
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
# Device present.
SET(nvcc_flags "")
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUDA_BUILD_CUBIN TRUE CACHE BOOL "Generate and parse .cubin files in Device mode.")
SET(CUDA_NVCC_FLAGS "" CACHE STRING "Semi-colon delimit multiple arguments.")
# Search for the cuda distribution.
IF(NOT CUDA_INSTALL_PREFIX)
FIND_PATH(CUDA_INSTALL_PREFIX
NAMES nvcc
PATHS /usr/local/cuda
PATH_SUFFIXES bin
ENV CUDA_BIN_PATH
DOC "Toolkit location."
)
IF (CUDA_INSTALL_PREFIX)
STRING(REGEX REPLACE "[/\\\\]?bin[/\\\\]?$" "" CUDA_INSTALL_PREFIX ${CUDA_INSTALL_PREFIX})
ENDIF(CUDA_INSTALL_PREFIX)
IF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
MESSAGE(FATAL_ERROR "Specify CUDA_INSTALL_PREFIX")
ENDIF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
ENDIF (NOT CUDA_INSTALL_PREFIX)
# CUDA_NVCC
IF (NOT CUDA_NVCC)
FIND_PROGRAM(CUDA_NVCC
nvcc
PATHS ${CUDA_INSTALL_PREFIX}/bin $ENV{CUDA_BIN_PATH}
)
IF(NOT CUDA_NVCC)
MESSAGE(FATAL_ERROR "Could not find nvcc")
ELSE(NOT CUDA_NVCC)
MARK_AS_ADVANCED(CUDA_NVCC)
ENDIF(NOT CUDA_NVCC)
ENDIF(NOT CUDA_NVCC)
# CUDA_NVCC_INCLUDE_ARGS
# IF (NOT FOUND_CUDA_NVCC_INCLUDE)
FIND_PATH(FOUND_CUDA_NVCC_INCLUDE
device_functions.h # Header included in toolkit
PATHS ${CUDA_INSTALL_PREFIX}/include
$ENV{CUDA_INC_PATH}
)
IF(NOT FOUND_CUDA_NVCC_INCLUDE)
MESSAGE(FATAL_ERROR "Could not find Cuda headers")
ELSE(NOT FOUND_CUDA_NVCC_INCLUDE)
# Set the initial include dir.
SET (CUDA_NVCC_INCLUDE_ARGS "-I"${FOUND_CUDA_NVCC_INCLUDE})
SET (CUDA_INCLUDE ${FOUND_CUDA_NVCC_INCLUDE})
MARK_AS_ADVANCED(
FOUND_CUDA_NVCC_INCLUDE
CUDA_NVCC_INCLUDE_ARGS
)
ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# CUDA_TARGET_LINK
IF (NOT CUDA_TARGET_LINK)
FIND_LIBRARY(FOUND_CUDART
cudart
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cudart\" library"
)
# Check to see if cudart library was found.
IF(NOT FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cudart library (cudart)")
ENDIF(NOT FOUND_CUDART)
# 1.1 toolkit on linux doesn't appear to have a separate library on
# some platforms.
FIND_LIBRARY(FOUND_CUDA
cuda
PATHS ${CUDA_INSTALL_PREFIX}/lib
DOC "\"cuda\" library (older versions only)."
NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH
)
# Add cuda library to the link line only if it is found.
IF (FOUND_CUDA)
SET(CUDA_TARGET_LINK ${FOUND_CUDA})
ENDIF(FOUND_CUDA)
# Always add cudart to the link line.
IF(FOUND_CUDART)
SET(CUDA_TARGET_LINK
${CUDA_TARGET_LINK} ${FOUND_CUDART}
)
MARK_AS_ADVANCED(
CUDA_TARGET_LINK
CUDA_LIB
FOUND_CUDA
FOUND_CUDART
)
ELSE(FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cuda libraries.")
ENDIF(FOUND_CUDART)
ENDIF(NOT CUDA_TARGET_LINK)
# CUDA_CUT_INCLUDE
IF(NOT CUDA_CUT_INCLUDE)
FIND_PATH(FOUND_CUT_INCLUDE
cutil.h
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/common/inc
$ENV{NVSDKCUDA_ROOT}/common/inc
DOC "Location of cutil.h"
)
IF(FOUND_CUT_INCLUDE)
SET(CUDA_CUT_INCLUDE ${FOUND_CUT_INCLUDE})
MARK_AS_ADVANCED(
FOUND_CUT_INCLUDE
)
ENDIF(FOUND_CUT_INCLUDE)
ENDIF(NOT CUDA_CUT_INCLUDE)
# CUDA_CUT_TARGET_LINK
IF(NOT CUDA_CUT_TARGET_LINK)
FIND_LIBRARY(FOUND_CUT
cutil
cutil32
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/lib
$ENV{NVSDKCUDA_ROOT}/common/lib
NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH
DOC "Location of cutil library"
)
IF(FOUND_CUT)
SET(CUDA_CUT_TARGET_LINK ${FOUND_CUT})
MARK_AS_ADVANCED(
FOUND_CUT
)
ENDIF(FOUND_CUT)
# Add variables for cufft and cublas target link
FIND_LIBRARY(FOUND_CUFFTEMU
cufftemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufftemu\" library"
)
FIND_LIBRARY(FOUND_CUBLASEMU
cublasemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublasemu\" library"
)
FIND_LIBRARY(FOUND_CUFFT
cufft
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufft\" library"
)
FIND_LIBRARY(FOUND_CUBLAS
cublas
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublas\" library"
)
IF (CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFTEMU})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLASEMU})
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFT})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLAS})
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
ENDIF(NOT CUDA_CUT_TARGET_LINK)
###############################################################################
# Add include directories to pass to the nvcc command.
MACRO(CUDA_INCLUDE_DIRECTORIES)
FOREACH(dir ${ARGN})
SET(CUDA_NVCC_INCLUDE_ARGS ${CUDA_NVCC_INCLUDE_ARGS} -I${dir})
ENDFOREACH(dir ${ARGN})
ENDMACRO(CUDA_INCLUDE_DIRECTORIES)
##############################################################################
##############################################################################
# This helper macro populates the following variables and setups up custom commands and targets to
# invoke the nvcc compiler. The compiler is invoked once with -M to generate a dependency file and
# a second time with -cuda to generate a .cpp file
# ${target_srcs}
# ${cuda_cu_sources}
##############################################################################
##############################################################################
MACRO(CUDA_add_custom_commands cuda_target)
SET(target_srcs "")
SET(cuda_cu_sources "")
# Iterate over the macro arguments and create custom
# commands for all the .cu files.
FOREACH(file ${ARGN})
IF(${file} MATCHES ".*\\.cu$")
# Add a custom target to generate a c file.
SET(generated_file "${CMAKE_BINARY_DIR}/src/cuda/${file}_${cuda_target}_generated.cpp")
SET(generated_target "${file}_target")
FILE(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/src/cuda)
SET(source_file ${CMAKE_CURRENT_SOURCE_DIR}/../${file})
# MESSAGE("${CUDA_NVCC} ${source_file} ${CUDA_NVCC_FLAGS} ${nvcc_flags} -cuda -o ${generated_file} ${CUDA_NVCC_INCLUDE_ARGS}")
# Bring in the dependencies. Creates a variable CUDA_NVCC_DEPEND
SET(cmake_dependency_file "${generated_file}.depend")
CUDA_INCLUDE_NVCC_DEPENDENCIES(${cmake_dependency_file})
SET(NVCC_generated_dependency_file "${generated_file}.NVCC-depend")
# Build the NVCC made dependency file
IF (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
SET(NVCC_generated_cubin_file "${generated_file}.NVCC-cubin.txt")
ADD_CUSTOM_COMMAND(
# Generate the .cubin output.
OUTPUT ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
-cubin
-o ${NVCC_generated_cubin_file}
${CUDA_NVCC_INCLUDE_ARGS}
# Execute the parser script.
COMMAND ${CMAKE_COMMAND}
ARGS
-D input_file="${NVCC_generated_cubin_file}"
-P "${FINDCUDA_DIR}/parse_cubin.cmake"
# MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC -cubin File: ${NVCC_generated_cubin_file}\n"
)
ELSE (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
# Depend on something that will exist.
SET(NVCC_generated_cubin_file "${source_file}")
ENDIF (CUDA_BUILD_TYPE MATCHES "Device"AND CUDA_BUILD_CUBIN)
# Build the NVCC made dependency file
ADD_CUSTOM_COMMAND(
OUTPUT ${NVCC_generated_dependency_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
-M
-o ${NVCC_generated_dependency_file}
${CUDA_NVCC_INCLUDE_ARGS}
# MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC Dependency File: ${NVCC_generated_dependency_file}\n"
)
# Build the CMake readible dependency file
ADD_CUSTOM_COMMAND(
OUTPUT ${cmake_dependency_file}
COMMAND ${CMAKE_COMMAND}
ARGS
-D input_file="${NVCC_generated_dependency_file}"
-D output_file="${cmake_dependency_file}"
-P "${FINDCUDA_DIR}/make2cmake.cmake"
MAIN_DEPENDENCY ${NVCC_generated_dependency_file}
COMMENT "Converting NVCC dependency to CMake (${cmake_dependency_file})"
)
ADD_CUSTOM_COMMAND(
OUTPUT ${generated_file}
MAIN_DEPENDENCY ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND}
DEPENDS ${cmake_dependency_file}
DEPENDS ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC}
ARGS ${source_file}
${CUDA_NVCC_FLAGS}
${nvcc_flags}
-DNVCC
--keep
-cuda -o ${generated_file}
${CUDA_NVCC_INCLUDE_ARGS}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC ${source_file}: ${generated_file}\n"
)
SET(cuda_cu_sources ${cuda_cu_sources} ${source_file})
# Add the generated file name to the source list.
SET(target_srcs ${target_srcs} ${generated_file})
ELSE(${file} MATCHES ".*\\.cu$")
# Otherwise add the file name to the source list.
SET(target_srcs ${target_srcs} ${file})
ENDIF(${file} MATCHES ".*\\.cu$")
ENDFOREACH(file)
ENDMACRO(CUDA_add_custom_commands)
###############################################################################
###############################################################################
# ADD LIBRARY
###############################################################################
###############################################################################
MACRO(CUDA_ADD_LIBRARY cuda_target)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library.
ADD_LIBRARY(${cuda_target}
${target_srcs}
${cuda_cu_sources}
)
TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK}
)
ENDMACRO(CUDA_ADD_LIBRARY cuda_target)
###############################################################################
###############################################################################
# ADD EXECUTABLE
###############################################################################
###############################################################################
MACRO(CUDA_ADD_EXECUTABLE cuda_target)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library.
ADD_EXECUTABLE(${cuda_target}
${target_srcs}
${cuda_cu_sources}
)
TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK}
)
ENDMACRO(CUDA_ADD_EXECUTABLE cuda_target)
###############################################################################
###############################################################################
# ADD EXECUTABLE
###############################################################################
###############################################################################
MACRO(CUDA_COMPILE file_variable)
# Create custom commands and targets for each file.
CUDA_add_custom_commands( cuda_compile ${ARGN} )
SET(file_variable ${target_srcs} ${cuda_cu_sources})
ENDMACRO(CUDA_COMPILE)
\ No newline at end of file
#
# Include CUDA related files.
#
INCLUDE(${FINDCUDA_DIR}/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
LINK_DIRECTORIES(${CUDA_TARGET_LINK})
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_SOURCE_DIR}/platforms/cuda/${subdir}/src/*.cu ${CMAKE_SOURCE_DIR}/platforms/cuda/src/*/*.cu)
FOREACH(file ${src_files})
FILE(RELATIVE_PATH file ${CMAKE_SOURCE_DIR}/platforms/cuda ${file})
SET(SOURCE_FILES ${SOURCE_FILES} ${file}) #append
ENDFOREACH(file)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/platforms/cuda/../${subdir}/include)
ENDFOREACH(subdir)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/platforms/cuda/../src)
CUDA_ADD_LIBRARY(${SHARED_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${OPENMM_LIBRARY_NAME}_d optimized ${OPENMM_LIBRARY_NAME})
#
# Include CUDA related files.
#
INCLUDE(${FINDCUDA_DIR}/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
LINK_DIRECTORIES(${CUDA_TARGET_LINK})
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_SOURCE_DIR}/platforms/cuda/${subdir}/src/*.cu ${CMAKE_SOURCE_DIR}/platforms/cuda/src/*/*.cu)
FOREACH(file ${src_files})
FILE(RELATIVE_PATH file ${CMAKE_SOURCE_DIR}/platforms/cuda ${file})
SET(SOURCE_FILES ${SOURCE_FILES} ${file}) #append
ENDFOREACH(file)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/platforms/cuda/../${subdir}/include)
ENDFOREACH(subdir)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/platforms/cuda/../src)
CUDA_ADD_LIBRARY(${STATIC_TARGET} STATIC ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
TARGET_LINK_LIBRARIES(${STATIC_TARGET} debug ${OPENMM_LIBRARY_NAME}_static_d optimized ${OPENMM_LIBRARY_NAME}_static)
......@@ -4,6 +4,9 @@
ENABLE_TESTING()
INCLUDE(${CMAKE_SOURCE_DIR}/platforms/cuda/cuda-cmake/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
# Automatically create tests using files named "Test*.cpp"
FILE(GLOB TEST_PROGS "*Test*.cpp")
FOREACH(TEST_PROG ${TEST_PROGS})
......@@ -11,14 +14,14 @@ FOREACH(TEST_PROG ${TEST_PROGS})
# Link with shared library
ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG})
CUDA_ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG})
TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET})
ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
# Link with static library
# SET(TEST_STATIC ${TEST_ROOT}Static)
# ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
# CUDA_ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
# SET_TARGET_PROPERTIES(${TEST_STATIC}
# PROPERTIES
# COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES"
......
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the Cuda implementation of AndersenThermostat.
*/
#include "../../../tests/AssertionUtilities.h"
#include "AndersenThermostat.h"
#include "OpenMMContext.h"
#include "CudaPlatform.h"
#include "NonbondedForce.h"
#include "System.h"
#include "VerletIntegrator.h"
#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
#include "../src/sfmt/SFMT.h"
#include <iostream>
#include <vector>
using namespace OpenMM;
using namespace std;
void testTemperature() {
const int numParticles = 8;
const double temp = 100.0;
const double collisionFreq = 10.0;
CudaPlatform platform;
System system(numParticles, 0);
VerletIntegrator integrator(0.01);
NonbondedForce* forceField = new NonbondedForce(numParticles, 0);
for (int i = 0; i < numParticles; ++i) {
system.setParticleMass(i, 2.0);
forceField->setParticleParameters(i, (i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
AndersenThermostat* thermstat = new AndersenThermostat(temp, collisionFreq);
system.addForce(thermstat);
OpenMMContext context(system, integrator, platform);
vector<Vec3> positions(numParticles);
for (int i = 0; i < numParticles; ++i)
positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
context.setPositions(positions);
// Let it equilibrate.
integrator.step(10000);
// Now run it for a while and see if the temperature is correct.
double ke = 0.0;
for (int i = 0; i < 1000; ++i) {
State state = context.getState(State::Energy);
ke += state.getKineticEnergy();
integrator.step(1);
}
ke /= 1000;
double expected = 0.5*numParticles*3*BOLTZ*temp;
ASSERT_EQUAL_TOL(expected, ke, 3*expected/std::sqrt(1000.0));
}
int main() {
try {
testTemperature();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}
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