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) ...@@ -82,27 +82,6 @@ ENDFOREACH(subdir)
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src) INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
SET(FINDCUDA_DIR ${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake)
# SUBDIRS (sharedTarget staticTarget)
# Include CUDA related files.
#
INCLUDE(${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 ${OPENMM_LIBRARY_NAME}_static)
...@@ -53,7 +53,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file) ...@@ -53,7 +53,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file)
IF(${CMAKE_MAKE_PROGRAM} MATCHES "make") IF(${CMAKE_MAKE_PROGRAM} MATCHES "make")
IF(NOT EXISTS ${dependency_file}) IF(NOT EXISTS ${dependency_file})
CONFIGURE_FILE( CONFIGURE_FILE(
${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/empty.depend.in ${FINDCUDA_DIR}/empty.depend.in
${dependency_file} IMMEDIATE) ${dependency_file} IMMEDIATE)
ENDIF(NOT EXISTS ${dependency_file}) ENDIF(NOT EXISTS ${dependency_file})
# Always include this file to force CMake to run again next # Always include this file to force CMake to run again next
...@@ -92,7 +92,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file) ...@@ -92,7 +92,7 @@ MACRO(CUDA_INCLUDE_NVCC_DEPENDENCIES dependency_file)
SET(CUDA_NVCC_DEPEND ${dependency_file}) SET(CUDA_NVCC_DEPEND ${dependency_file})
# Force CMake to run again next build # Force CMake to run again next build
CONFIGURE_FILE( CONFIGURE_FILE(
${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/empty.depend.in ${FINDCUDA_DIR}/empty.depend.in
${dependency_file} IMMEDIATE) ${dependency_file} IMMEDIATE)
ENDIF(CUDA_NVCC_DEPEND_REGENERATE) ENDIF(CUDA_NVCC_DEPEND_REGENERATE)
......
############################################################################### ###############################################################################
# For more information, please see: http://software.sci.utah.edu # For more information, please see: http://software.sci.utah.edu
# #
# The MIT License # The MIT License
# #
# Copyright (c) 2007-2008 # Copyright (c) 2007-2008
# Scientific Computing and Imaging Institute, University of Utah # Scientific Computing and Imaging Institute, University of Utah
# #
# License for the specific language governing rights and limitations under # License for the specific language governing rights and limitations under
# Permission is hereby granted, free of charge, to any person obtaining a # Permission is hereby granted, free of charge, to any person obtaining a
# copy of this software and associated documentation files (the "Software"), # copy of this software and associated documentation files (the "Software"),
# to deal in the Software without restriction, including without limitation # to deal in the Software without restriction, including without limitation
# the rights to use, copy, modify, merge, publish, distribute, sublicense, # the rights to use, copy, modify, merge, publish, distribute, sublicense,
# and/or sell copies of the Software, and to permit persons to whom the # 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: # Software is furnished to do so, subject to the following conditions:
# #
# The above copyright notice and this permission notice shall be included # The above copyright notice and this permission notice shall be included
# in all copies or substantial portions of the Software. # in all copies or substantial portions of the Software.
# #
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS
# OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING # 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 # FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE. # DEALINGS IN THE SOFTWARE.
# #
# This script locates the Nvidia Compute Unified Driver Architecture (CUDA) # This script locates the Nvidia Compute Unified Driver Architecture (CUDA)
# tools. It should work on linux, windows, and mac and should be reasonably # tools. It should work on linux, windows, and mac and should be reasonably
# up to date with cuda releases. # up to date with cuda releases.
# #
# The script will prompt the user to specify CUDA_INSTALL_PREFIX if the # 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 # 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 # 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 # CUDA_BIN_PATH before running cmake (e.g. CUDA_BIN_PATH=/usr/local/cuda1.0
# instead of the default /usr/local/cuda). # instead of the default /usr/local/cuda).
# #
# Set CUDA_BUILD_TYPE to "Device" or "Emulation" mode. # Set CUDA_BUILD_TYPE to "Device" or "Emulation" mode.
# _DEVICEEMU is defined in "Emulation" mode. # _DEVICEEMU is defined in "Emulation" mode.
# #
# Set CUDA_BUILD_CUBIN to "ON" or "OFF" to enable and extra compilation pass # 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, # with the -cubin option in Device mode. The output is parsed and register,
# shared memory usage is printed during build. Default ON. # shared memory usage is printed during build. Default ON.
# #
# The script creates the following macros: # The script creates the following macros:
# CUDA_INCLUDE_DIRECTORIES( path0 path1 ... ) # CUDA_INCLUDE_DIRECTORIES( path0 path1 ... )
# -- Sets the directories that should be passed to nvcc # -- Sets the directories that should be passed to nvcc
# (e.g. nvcc -Ipath0 -Ipath1 ... ). These paths usually contain other .cu # (e.g. nvcc -Ipath0 -Ipath1 ... ). These paths usually contain other .cu
# files. # files.
# #
# CUDA_ADD_LIBRARY( cuda_target file0 file1 ... ) # CUDA_ADD_LIBRARY( cuda_target file0 file1 ... )
# -- Creates a shared library "cuda_target" which contains all of the source # -- 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. # (*.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 # All of the specified source files and generated .cpp files are compiled
# using the standard CMake compiler, so the normal INCLUDE_DIRECTORIES, # using the standard CMake compiler, so the normal INCLUDE_DIRECTORIES,
# LINK_DIRECTORIES, and TARGET_LINK_LIBRARIES can be used to affect their # LINK_DIRECTORIES, and TARGET_LINK_LIBRARIES can be used to affect their
# build and link. # build and link.
# #
# CUDA_ADD_EXECUTABLE( cuda_target file0 file1 ... ) # CUDA_ADD_EXECUTABLE( cuda_target file0 file1 ... )
# -- Same as CUDA_ADD_LIBRARY except that an exectuable is created. # -- Same as CUDA_ADD_LIBRARY except that an exectuable is created.
# #
# CUDA_COMPILE( cuda_files file0 file1 ... ) # CUDA_COMPILE( cuda_files file0 file1 ... )
# -- Returns a list of build commands in the first argument to be used with # -- Returns a list of build commands in the first argument to be used with
# ADD_LIBRARY or ADD_EXECUTABLE. # ADD_LIBRARY or ADD_EXECUTABLE.
# #
# The script defines the following variables: # The script defines the following variables:
# #
# ( Note CUDA_ADD_* macros setup cuda/cut library dependencies automatically. # ( 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 # These variables are only needed if a cuda API call must be made from code in
# a outside library or executable. ) # a outside library or executable. )
# #
# CUDA_INCLUDE -- Include directory for cuda headers. # CUDA_INCLUDE -- Include directory for cuda headers.
# CUDA_TARGET_LINK -- Cuda RT library. # CUDA_TARGET_LINK -- Cuda RT library.
# CUDA_CUT_INCLUDE -- Include directory for cuda SDK headers (cutil.h). # CUDA_CUT_INCLUDE -- Include directory for cuda SDK headers (cutil.h).
# CUDA_CUT_TARGET_LINK -- SDK libraries. # CUDA_CUT_TARGET_LINK -- SDK libraries.
# CUDA_NVCC_FLAGS -- Additional NVCC command line arguments. NOTE: # CUDA_NVCC_FLAGS -- Additional NVCC command line arguments. NOTE:
# multiple arguments must be semi-colon delimited # multiple arguments must be semi-colon delimited
# e.g. --compiler-options;-Wall # e.g. --compiler-options;-Wall
# CUBLAS_TARGET_LINK-- cublas library name. # CUBLAS_TARGET_LINK-- cublas library name.
# CUFFT_TARGET_LINK -- cubfft library name. # CUFFT_TARGET_LINK -- cubfft library name.
# #
# The nvcc flag "--host-compilation;c++" should be used if functions declared # The nvcc flag "--host-compilation;c++" should be used if functions declared
# as __host__ contain C++ code. # as __host__ contain C++ code.
# #
# It might be necessary to set CUDA_INSTALL_PATH manually on certain platforms, # 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 # 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 # 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 # driver- be sure that the driver version matches what is needed by the cuda
# runtime version. # runtime version.
# #
# -- Abe Stephens SCI Institute -- http://www.sci.utah.edu/~abe/FindCuda.html # -- Abe Stephens SCI Institute -- http://www.sci.utah.edu/~abe/FindCuda.html
############################################################################### ###############################################################################
# FindCuda.cmake # FindCuda.cmake
CMAKE_MINIMUM_REQUIRED(VERSION 2.4) CMAKE_MINIMUM_REQUIRED(VERSION 2.4)
INCLUDE(${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/CudaDependency.cmake) INCLUDE(${FINDCUDA_DIR}/CudaDependency.cmake)
############################################################################### ###############################################################################
############################################################################### ###############################################################################
# Locate CUDA, Set Build Type, etc. # Locate CUDA, Set Build Type, etc.
############################################################################### ###############################################################################
############################################################################### ###############################################################################
# Parse CUDA build type. # Parse CUDA build type.
IF (NOT CUDA_BUILD_TYPE) IF (NOT CUDA_BUILD_TYPE)
SET(CUDA_BUILD_TYPE "Emulation" CACHE STRING "Cuda build type: Emulation or Device") SET(CUDA_BUILD_TYPE "Emulation" CACHE STRING "Cuda build type: Emulation or Device")
ENDIF(NOT CUDA_BUILD_TYPE) ENDIF(NOT CUDA_BUILD_TYPE)
# Emulation if the card isn't present. # Emulation if the card isn't present.
IF (CUDA_BUILD_TYPE MATCHES "Emulation") IF (CUDA_BUILD_TYPE MATCHES "Emulation")
# Emulation. # Emulation.
SET(nvcc_flags --device-emulation -D_DEVICEEMU -g) SET(nvcc_flags --device-emulation -D_DEVICEEMU -g)
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation") ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
# Device present. # Device present.
SET(nvcc_flags "") SET(nvcc_flags "")
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation") ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUDA_BUILD_CUBIN TRUE CACHE BOOL "Generate and parse .cubin files in Device mode.") 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.") SET(CUDA_NVCC_FLAGS "" CACHE STRING "Semi-colon delimit multiple arguments.")
# Search for the cuda distribution. # Search for the cuda distribution.
IF(NOT CUDA_INSTALL_PREFIX) IF(NOT CUDA_INSTALL_PREFIX)
FIND_PATH(CUDA_INSTALL_PREFIX FIND_PATH(CUDA_INSTALL_PREFIX
NAMES nvcc NAMES nvcc
PATHS /usr/local/cuda PATHS /usr/local/cuda
PATH_SUFFIXES bin PATH_SUFFIXES bin
ENV CUDA_BIN_PATH ENV CUDA_BIN_PATH
DOC "Toolkit location." DOC "Toolkit location."
) )
IF (CUDA_INSTALL_PREFIX) IF (CUDA_INSTALL_PREFIX)
STRING(REGEX REPLACE "[/\\\\]?bin[/\\\\]?$" "" CUDA_INSTALL_PREFIX ${CUDA_INSTALL_PREFIX}) STRING(REGEX REPLACE "[/\\\\]?bin[/\\\\]?$" "" CUDA_INSTALL_PREFIX ${CUDA_INSTALL_PREFIX})
ENDIF(CUDA_INSTALL_PREFIX) ENDIF(CUDA_INSTALL_PREFIX)
IF (NOT EXISTS ${CUDA_INSTALL_PREFIX}) IF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
MESSAGE(FATAL_ERROR "Specify CUDA_INSTALL_PREFIX") MESSAGE(FATAL_ERROR "Specify CUDA_INSTALL_PREFIX")
ENDIF (NOT EXISTS ${CUDA_INSTALL_PREFIX}) ENDIF (NOT EXISTS ${CUDA_INSTALL_PREFIX})
ENDIF (NOT CUDA_INSTALL_PREFIX) ENDIF (NOT CUDA_INSTALL_PREFIX)
# CUDA_NVCC # CUDA_NVCC
IF (NOT CUDA_NVCC) IF (NOT CUDA_NVCC)
FIND_PROGRAM(CUDA_NVCC FIND_PROGRAM(CUDA_NVCC
nvcc nvcc
PATHS ${CUDA_INSTALL_PREFIX}/bin $ENV{CUDA_BIN_PATH} PATHS ${CUDA_INSTALL_PREFIX}/bin $ENV{CUDA_BIN_PATH}
) )
IF(NOT CUDA_NVCC) IF(NOT CUDA_NVCC)
MESSAGE(FATAL_ERROR "Could not find nvcc") MESSAGE(FATAL_ERROR "Could not find nvcc")
ELSE(NOT CUDA_NVCC) ELSE(NOT CUDA_NVCC)
MARK_AS_ADVANCED(CUDA_NVCC) MARK_AS_ADVANCED(CUDA_NVCC)
ENDIF(NOT CUDA_NVCC) ENDIF(NOT CUDA_NVCC)
ENDIF(NOT CUDA_NVCC) ENDIF(NOT CUDA_NVCC)
# CUDA_NVCC_INCLUDE_ARGS # CUDA_NVCC_INCLUDE_ARGS
# IF (NOT FOUND_CUDA_NVCC_INCLUDE) # IF (NOT FOUND_CUDA_NVCC_INCLUDE)
FIND_PATH(FOUND_CUDA_NVCC_INCLUDE FIND_PATH(FOUND_CUDA_NVCC_INCLUDE
device_functions.h # Header included in toolkit device_functions.h # Header included in toolkit
PATHS ${CUDA_INSTALL_PREFIX}/include PATHS ${CUDA_INSTALL_PREFIX}/include
$ENV{CUDA_INC_PATH} $ENV{CUDA_INC_PATH}
) )
IF(NOT FOUND_CUDA_NVCC_INCLUDE) IF(NOT FOUND_CUDA_NVCC_INCLUDE)
MESSAGE(FATAL_ERROR "Could not find Cuda headers") MESSAGE(FATAL_ERROR "Could not find Cuda headers")
ELSE(NOT FOUND_CUDA_NVCC_INCLUDE) ELSE(NOT FOUND_CUDA_NVCC_INCLUDE)
# Set the initial include dir. # Set the initial include dir.
SET (CUDA_NVCC_INCLUDE_ARGS "-I"${FOUND_CUDA_NVCC_INCLUDE}) SET (CUDA_NVCC_INCLUDE_ARGS "-I"${FOUND_CUDA_NVCC_INCLUDE})
SET (CUDA_INCLUDE ${FOUND_CUDA_NVCC_INCLUDE}) SET (CUDA_INCLUDE ${FOUND_CUDA_NVCC_INCLUDE})
MARK_AS_ADVANCED( MARK_AS_ADVANCED(
FOUND_CUDA_NVCC_INCLUDE FOUND_CUDA_NVCC_INCLUDE
CUDA_NVCC_INCLUDE_ARGS CUDA_NVCC_INCLUDE_ARGS
) )
ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE) ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE) # ENDIF(NOT FOUND_CUDA_NVCC_INCLUDE)
# CUDA_TARGET_LINK # CUDA_TARGET_LINK
IF (NOT CUDA_TARGET_LINK) IF (NOT CUDA_TARGET_LINK)
FIND_LIBRARY(FOUND_CUDART FIND_LIBRARY(FOUND_CUDART
cudart cudart
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH} PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cudart\" library" DOC "\"cudart\" library"
) )
# Check to see if cudart library was found. # Check to see if cudart library was found.
IF(NOT FOUND_CUDART) IF(NOT FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cudart library (cudart)") MESSAGE(FATAL_ERROR "Could not find cudart library (cudart)")
ENDIF(NOT FOUND_CUDART) ENDIF(NOT FOUND_CUDART)
# 1.1 toolkit on linux doesn't appear to have a separate library on # 1.1 toolkit on linux doesn't appear to have a separate library on
# some platforms. # some platforms.
FIND_LIBRARY(FOUND_CUDA FIND_LIBRARY(FOUND_CUDA
cuda cuda
PATHS ${CUDA_INSTALL_PREFIX}/lib PATHS ${CUDA_INSTALL_PREFIX}/lib
DOC "\"cuda\" library (older versions only)." DOC "\"cuda\" library (older versions only)."
NO_DEFAULT_PATH NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH NO_CMAKE_SYSTEM_PATH
) )
# Add cuda library to the link line only if it is found. # Add cuda library to the link line only if it is found.
IF (FOUND_CUDA) IF (FOUND_CUDA)
SET(CUDA_TARGET_LINK ${FOUND_CUDA}) SET(CUDA_TARGET_LINK ${FOUND_CUDA})
ENDIF(FOUND_CUDA) ENDIF(FOUND_CUDA)
# Always add cudart to the link line. # Always add cudart to the link line.
IF(FOUND_CUDART) IF(FOUND_CUDART)
SET(CUDA_TARGET_LINK SET(CUDA_TARGET_LINK
${CUDA_TARGET_LINK} ${FOUND_CUDART} ${CUDA_TARGET_LINK} ${FOUND_CUDART}
) )
MARK_AS_ADVANCED( MARK_AS_ADVANCED(
CUDA_TARGET_LINK CUDA_TARGET_LINK
CUDA_LIB CUDA_LIB
FOUND_CUDA FOUND_CUDA
FOUND_CUDART FOUND_CUDART
) )
ELSE(FOUND_CUDART) ELSE(FOUND_CUDART)
MESSAGE(FATAL_ERROR "Could not find cuda libraries.") MESSAGE(FATAL_ERROR "Could not find cuda libraries.")
ENDIF(FOUND_CUDART) ENDIF(FOUND_CUDART)
ENDIF(NOT CUDA_TARGET_LINK) ENDIF(NOT CUDA_TARGET_LINK)
# CUDA_CUT_INCLUDE # CUDA_CUT_INCLUDE
IF(NOT CUDA_CUT_INCLUDE) IF(NOT CUDA_CUT_INCLUDE)
FIND_PATH(FOUND_CUT_INCLUDE FIND_PATH(FOUND_CUT_INCLUDE
cutil.h cutil.h
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/common/inc PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NVSDK0.2/common/inc ${CUDA_INSTALL_PREFIX}/NVSDK0.2/common/inc
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/common/inc ${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK/common/inc $ENV{HOME}/NVIDIA_CUDA_SDK/common/inc
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/common/inc $ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/common/inc
$ENV{NVSDKCUDA_ROOT}/common/inc $ENV{NVSDKCUDA_ROOT}/common/inc
DOC "Location of cutil.h" DOC "Location of cutil.h"
) )
IF(FOUND_CUT_INCLUDE) IF(FOUND_CUT_INCLUDE)
SET(CUDA_CUT_INCLUDE ${FOUND_CUT_INCLUDE}) SET(CUDA_CUT_INCLUDE ${FOUND_CUT_INCLUDE})
MARK_AS_ADVANCED( MARK_AS_ADVANCED(
FOUND_CUT_INCLUDE FOUND_CUT_INCLUDE
) )
ENDIF(FOUND_CUT_INCLUDE) ENDIF(FOUND_CUT_INCLUDE)
ENDIF(NOT CUDA_CUT_INCLUDE) ENDIF(NOT CUDA_CUT_INCLUDE)
# CUDA_CUT_TARGET_LINK # CUDA_CUT_TARGET_LINK
IF(NOT CUDA_CUT_TARGET_LINK) IF(NOT CUDA_CUT_TARGET_LINK)
FIND_LIBRARY(FOUND_CUT FIND_LIBRARY(FOUND_CUT
cutil cutil
cutil32 cutil32
PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/lib PATHS ${CUDA_INSTALL_PREFIX}/local/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NVSDK0.2/lib ${CUDA_INSTALL_PREFIX}/NVSDK0.2/lib
${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/lib ${CUDA_INSTALL_PREFIX}/NV_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK/lib $ENV{HOME}/NVIDIA_CUDA_SDK/lib
$ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/lib $ENV{HOME}/NVIDIA_CUDA_SDK_MACOSX/lib
$ENV{NVSDKCUDA_ROOT}/common/lib $ENV{NVSDKCUDA_ROOT}/common/lib
NO_DEFAULT_PATH NO_DEFAULT_PATH
NO_CMAKE_ENVIRONMENT_PATH NO_CMAKE_ENVIRONMENT_PATH
NO_CMAKE_PATH NO_CMAKE_PATH
NO_SYSTEM_ENVIRONMENT_PATH NO_SYSTEM_ENVIRONMENT_PATH
NO_CMAKE_SYSTEM_PATH NO_CMAKE_SYSTEM_PATH
DOC "Location of cutil library" DOC "Location of cutil library"
) )
IF(FOUND_CUT) IF(FOUND_CUT)
SET(CUDA_CUT_TARGET_LINK ${FOUND_CUT}) SET(CUDA_CUT_TARGET_LINK ${FOUND_CUT})
MARK_AS_ADVANCED( MARK_AS_ADVANCED(
FOUND_CUT FOUND_CUT
) )
ENDIF(FOUND_CUT) ENDIF(FOUND_CUT)
# Add variables for cufft and cublas target link # Add variables for cufft and cublas target link
FIND_LIBRARY(FOUND_CUFFTEMU FIND_LIBRARY(FOUND_CUFFTEMU
cufftemu cufftemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH} PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufftemu\" library" DOC "\"cufftemu\" library"
) )
FIND_LIBRARY(FOUND_CUBLASEMU FIND_LIBRARY(FOUND_CUBLASEMU
cublasemu cublasemu
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH} PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublasemu\" library" DOC "\"cublasemu\" library"
) )
FIND_LIBRARY(FOUND_CUFFT FIND_LIBRARY(FOUND_CUFFT
cufft cufft
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH} PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cufft\" library" DOC "\"cufft\" library"
) )
FIND_LIBRARY(FOUND_CUBLAS FIND_LIBRARY(FOUND_CUBLAS
cublas cublas
PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH} PATHS ${CUDA_INSTALL_PREFIX}/lib $ENV{CUDA_LIB_PATH}
DOC "\"cublas\" library" DOC "\"cublas\" library"
) )
IF (CUDA_BUILD_TYPE MATCHES "Emulation") IF (CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFTEMU}) SET(CUFFT_TARGET_LINK ${FOUND_CUFFTEMU})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLASEMU}) SET(CUBLAS_TARGET_LINK ${FOUND_CUBLASEMU})
ELSE(CUDA_BUILD_TYPE MATCHES "Emulation") ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
SET(CUFFT_TARGET_LINK ${FOUND_CUFFT}) SET(CUFFT_TARGET_LINK ${FOUND_CUFFT})
SET(CUBLAS_TARGET_LINK ${FOUND_CUBLAS}) SET(CUBLAS_TARGET_LINK ${FOUND_CUBLAS})
ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation") ENDIF(CUDA_BUILD_TYPE MATCHES "Emulation")
ENDIF(NOT CUDA_CUT_TARGET_LINK) ENDIF(NOT CUDA_CUT_TARGET_LINK)
############################################################################### ###############################################################################
# Add include directories to pass to the nvcc command. # Add include directories to pass to the nvcc command.
MACRO(CUDA_INCLUDE_DIRECTORIES) MACRO(CUDA_INCLUDE_DIRECTORIES)
FOREACH(dir ${ARGN}) FOREACH(dir ${ARGN})
SET(CUDA_NVCC_INCLUDE_ARGS ${CUDA_NVCC_INCLUDE_ARGS} -I${dir}) SET(CUDA_NVCC_INCLUDE_ARGS ${CUDA_NVCC_INCLUDE_ARGS} -I${dir})
ENDFOREACH(dir ${ARGN}) ENDFOREACH(dir ${ARGN})
ENDMACRO(CUDA_INCLUDE_DIRECTORIES) ENDMACRO(CUDA_INCLUDE_DIRECTORIES)
############################################################################## ##############################################################################
############################################################################## ##############################################################################
# This helper macro populates the following variables and setups up custom commands and targets to # 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 # 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 # a second time with -cuda to generate a .cpp file
# ${target_srcs} # ${target_srcs}
# ${cuda_cu_sources} # ${cuda_cu_sources}
############################################################################## ##############################################################################
############################################################################## ##############################################################################
MACRO(CUDA_add_custom_commands cuda_target) MACRO(CUDA_add_custom_commands cuda_target)
SET(target_srcs "") SET(target_srcs "")
SET(cuda_cu_sources "") SET(cuda_cu_sources "")
# Iterate over the macro arguments and create custom # Iterate over the macro arguments and create custom
# commands for all the .cu files. # commands for all the .cu files.
FOREACH(file ${ARGN}) FOREACH(file ${ARGN})
IF(${file} MATCHES ".*\\.cu$") IF(${file} MATCHES ".*\\.cu$")
# Add a custom target to generate a c file. # Add a custom target to generate a c file.
SET(generated_file "${CMAKE_BINARY_DIR}/src/cuda/${file}_${cuda_target}_generated.cpp") SET(generated_file "${CMAKE_BINARY_DIR}/src/cuda/${file}_${cuda_target}_generated.cpp")
SET(generated_target "${file}_target") SET(generated_target "${file}_target")
FILE(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/src/cuda) FILE(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/src/cuda)
SET(source_file ${CMAKE_CURRENT_SOURCE_DIR}/${file}) SET(source_file ${CMAKE_CURRENT_SOURCE_DIR}/../${file})
# MESSAGE("${CUDA_NVCC} ${source_file} ${CUDA_NVCC_FLAGS} ${nvcc_flags} -cuda -o ${generated_file} ${CUDA_NVCC_INCLUDE_ARGS}") # MESSAGE("${CUDA_NVCC} ${source_file} ${CUDA_NVCC_FLAGS} ${nvcc_flags} -cuda -o ${generated_file} ${CUDA_NVCC_INCLUDE_ARGS}")
# Bring in the dependencies. Creates a variable CUDA_NVCC_DEPEND # Bring in the dependencies. Creates a variable CUDA_NVCC_DEPEND
SET(cmake_dependency_file "${generated_file}.depend") SET(cmake_dependency_file "${generated_file}.depend")
CUDA_INCLUDE_NVCC_DEPENDENCIES(${cmake_dependency_file}) CUDA_INCLUDE_NVCC_DEPENDENCIES(${cmake_dependency_file})
SET(NVCC_generated_dependency_file "${generated_file}.NVCC-depend") SET(NVCC_generated_dependency_file "${generated_file}.NVCC-depend")
# Build the NVCC made dependency file # Build the NVCC made dependency file
IF (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN) IF (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
SET(NVCC_generated_cubin_file "${generated_file}.NVCC-cubin.txt") SET(NVCC_generated_cubin_file "${generated_file}.NVCC-cubin.txt")
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
# Generate the .cubin output. # Generate the .cubin output.
OUTPUT ${NVCC_generated_cubin_file} OUTPUT ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC} COMMAND ${CUDA_NVCC}
ARGS ${source_file} ARGS ${source_file}
${CUDA_NVCC_FLAGS} ${CUDA_NVCC_FLAGS}
${nvcc_flags} ${nvcc_flags}
-DNVCC -DNVCC
-cubin -cubin
-o ${NVCC_generated_cubin_file} -o ${NVCC_generated_cubin_file}
${CUDA_NVCC_INCLUDE_ARGS} ${CUDA_NVCC_INCLUDE_ARGS}
# Execute the parser script. # Execute the parser script.
COMMAND ${CMAKE_COMMAND} COMMAND ${CMAKE_COMMAND}
ARGS ARGS
-D input_file="${NVCC_generated_cubin_file}" -D input_file="${NVCC_generated_cubin_file}"
-P "${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/parse_cubin.cmake" -P "${FINDCUDA_DIR}/parse_cubin.cmake"
# MAIN_DEPENDENCY ${source_file} # MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file} DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND} DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC -cubin File: ${NVCC_generated_cubin_file}\n" COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC -cubin File: ${NVCC_generated_cubin_file}\n"
) )
ELSE (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN) ELSE (CUDA_BUILD_TYPE MATCHES "Device" AND CUDA_BUILD_CUBIN)
# Depend on something that will exist. # Depend on something that will exist.
SET(NVCC_generated_cubin_file "${source_file}") SET(NVCC_generated_cubin_file "${source_file}")
ENDIF (CUDA_BUILD_TYPE MATCHES "Device"AND CUDA_BUILD_CUBIN) ENDIF (CUDA_BUILD_TYPE MATCHES "Device"AND CUDA_BUILD_CUBIN)
# Build the NVCC made dependency file # Build the NVCC made dependency file
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT ${NVCC_generated_dependency_file} OUTPUT ${NVCC_generated_dependency_file}
COMMAND ${CUDA_NVCC} COMMAND ${CUDA_NVCC}
ARGS ${source_file} ARGS ${source_file}
${CUDA_NVCC_FLAGS} ${CUDA_NVCC_FLAGS}
${nvcc_flags} ${nvcc_flags}
-DNVCC -DNVCC
-M -M
-o ${NVCC_generated_dependency_file} -o ${NVCC_generated_dependency_file}
${CUDA_NVCC_INCLUDE_ARGS} ${CUDA_NVCC_INCLUDE_ARGS}
# MAIN_DEPENDENCY ${source_file} # MAIN_DEPENDENCY ${source_file}
DEPENDS ${source_file} DEPENDS ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND} DEPENDS ${CUDA_NVCC_DEPEND}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC Dependency File: ${NVCC_generated_dependency_file}\n" COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC Dependency File: ${NVCC_generated_dependency_file}\n"
) )
# Build the CMake readible dependency file # Build the CMake readible dependency file
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT ${cmake_dependency_file} OUTPUT ${cmake_dependency_file}
COMMAND ${CMAKE_COMMAND} COMMAND ${CMAKE_COMMAND}
ARGS ARGS
-D input_file="${NVCC_generated_dependency_file}" -D input_file="${NVCC_generated_dependency_file}"
-D output_file="${cmake_dependency_file}" -D output_file="${cmake_dependency_file}"
-P "${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake/make2cmake.cmake" -P "${FINDCUDA_DIR}/make2cmake.cmake"
MAIN_DEPENDENCY ${NVCC_generated_dependency_file} MAIN_DEPENDENCY ${NVCC_generated_dependency_file}
COMMENT "Converting NVCC dependency to CMake (${cmake_dependency_file})" COMMENT "Converting NVCC dependency to CMake (${cmake_dependency_file})"
) )
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT ${generated_file} OUTPUT ${generated_file}
MAIN_DEPENDENCY ${source_file} MAIN_DEPENDENCY ${source_file}
DEPENDS ${CUDA_NVCC_DEPEND} DEPENDS ${CUDA_NVCC_DEPEND}
DEPENDS ${cmake_dependency_file} DEPENDS ${cmake_dependency_file}
DEPENDS ${NVCC_generated_cubin_file} DEPENDS ${NVCC_generated_cubin_file}
COMMAND ${CUDA_NVCC} COMMAND ${CUDA_NVCC}
ARGS ${source_file} ARGS ${source_file}
${CUDA_NVCC_FLAGS} ${CUDA_NVCC_FLAGS}
${nvcc_flags} ${nvcc_flags}
-DNVCC -DNVCC
--keep --keep
-cuda -o ${generated_file} -cuda -o ${generated_file}
${CUDA_NVCC_INCLUDE_ARGS} ${CUDA_NVCC_INCLUDE_ARGS}
COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC ${source_file}: ${generated_file}\n" COMMENT "Building (${CUDA_BUILD_TYPE}) NVCC ${source_file}: ${generated_file}\n"
) )
SET(cuda_cu_sources ${cuda_cu_sources} ${source_file}) SET(cuda_cu_sources ${cuda_cu_sources} ${source_file})
# Add the generated file name to the source list. # Add the generated file name to the source list.
SET(target_srcs ${target_srcs} ${generated_file}) SET(target_srcs ${target_srcs} ${generated_file})
ELSE(${file} MATCHES ".*\\.cu$") ELSE(${file} MATCHES ".*\\.cu$")
# Otherwise add the file name to the source list. # Otherwise add the file name to the source list.
SET(target_srcs ${target_srcs} ${file}) SET(target_srcs ${target_srcs} ${file})
ENDIF(${file} MATCHES ".*\\.cu$") ENDIF(${file} MATCHES ".*\\.cu$")
ENDFOREACH(file) ENDFOREACH(file)
ENDMACRO(CUDA_add_custom_commands) ENDMACRO(CUDA_add_custom_commands)
############################################################################### ###############################################################################
############################################################################### ###############################################################################
# ADD LIBRARY # ADD LIBRARY
############################################################################### ###############################################################################
############################################################################### ###############################################################################
MACRO(CUDA_ADD_LIBRARY cuda_target) MACRO(CUDA_ADD_LIBRARY cuda_target)
# Create custom commands and targets for each file. # Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} ) CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library. # Add the library.
ADD_LIBRARY(${cuda_target} ADD_LIBRARY(${cuda_target}
${target_srcs} ${target_srcs}
${cuda_cu_sources} ${cuda_cu_sources}
) )
TARGET_LINK_LIBRARIES(${cuda_target} TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK} ${CUDA_TARGET_LINK}
) )
ENDMACRO(CUDA_ADD_LIBRARY cuda_target) ENDMACRO(CUDA_ADD_LIBRARY cuda_target)
############################################################################### ###############################################################################
############################################################################### ###############################################################################
# ADD EXECUTABLE # ADD EXECUTABLE
############################################################################### ###############################################################################
############################################################################### ###############################################################################
MACRO(CUDA_ADD_EXECUTABLE cuda_target) MACRO(CUDA_ADD_EXECUTABLE cuda_target)
# Create custom commands and targets for each file. # Create custom commands and targets for each file.
CUDA_add_custom_commands( ${cuda_target} ${ARGN} ) CUDA_add_custom_commands( ${cuda_target} ${ARGN} )
# Add the library. # Add the library.
ADD_EXECUTABLE(${cuda_target} ADD_EXECUTABLE(${cuda_target}
${target_srcs} ${target_srcs}
${cuda_cu_sources} ${cuda_cu_sources}
) )
TARGET_LINK_LIBRARIES(${cuda_target} TARGET_LINK_LIBRARIES(${cuda_target}
${CUDA_TARGET_LINK} ${CUDA_TARGET_LINK}
) )
ENDMACRO(CUDA_ADD_EXECUTABLE cuda_target) ENDMACRO(CUDA_ADD_EXECUTABLE cuda_target)
############################################################################### ###############################################################################
############################################################################### ###############################################################################
# ADD EXECUTABLE # ADD EXECUTABLE
############################################################################### ###############################################################################
############################################################################### ###############################################################################
MACRO(CUDA_COMPILE file_variable) MACRO(CUDA_COMPILE file_variable)
# Create custom commands and targets for each file. # Create custom commands and targets for each file.
CUDA_add_custom_commands( cuda_compile ${ARGN} ) CUDA_add_custom_commands( cuda_compile ${ARGN} )
SET(file_variable ${target_srcs} ${cuda_cu_sources}) SET(file_variable ${target_srcs} ${cuda_cu_sources})
ENDMACRO(CUDA_COMPILE) ENDMACRO(CUDA_COMPILE)
\ No newline at end of file
#
# Include CUDA related files.
#
INCLUDE(${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 ${OPENMM_LIBRARY_NAME}_static)
...@@ -4,6 +4,9 @@ ...@@ -4,6 +4,9 @@
ENABLE_TESTING() ENABLE_TESTING()
INCLUDE(${CMAKE_SOURCE_DIR}/platforms/cuda/cuda-cmake/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
# Automatically create tests using files named "Test*.cpp" # Automatically create tests using files named "Test*.cpp"
FILE(GLOB TEST_PROGS "*Test*.cpp") FILE(GLOB TEST_PROGS "*Test*.cpp")
FOREACH(TEST_PROG ${TEST_PROGS}) FOREACH(TEST_PROG ${TEST_PROGS})
...@@ -11,14 +14,14 @@ FOREACH(TEST_PROG ${TEST_PROGS}) ...@@ -11,14 +14,14 @@ FOREACH(TEST_PROG ${TEST_PROGS})
# Link with shared library # Link with shared library
ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG}) CUDA_ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG})
TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET}) TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET})
ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT}) ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
# Link with static library # Link with static library
# SET(TEST_STATIC ${TEST_ROOT}Static) # SET(TEST_STATIC ${TEST_ROOT}Static)
# ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG}) # CUDA_ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
# SET_TARGET_PROPERTIES(${TEST_STATIC} # SET_TARGET_PROPERTIES(${TEST_STATIC}
# PROPERTIES # PROPERTIES
# COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES" # 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;
}
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment