Commit 7a36f461 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

dded GB/VI to Cuda platform

Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers  = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail 
parent 43ebedfb
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#
# Include CUDA related files.
#
SET(OPENMM_BUILD_FREE_ENERGY_PATH ${CMAKE_SOURCE_DIR}/plugins/freeEnergy)
SET(CUDA_NVCC_BUILD_FLAGS "-DCUDPP_STATIC_LIB" )
INCLUDE(${FINDCUDA_DIR}/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
LINK_DIRECTORIES(${CUDA_TARGET_LINK})
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda/${subdir}/src/*.cu ${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda/${subdir}/src/*/*.cu)
FOREACH(file ${src_files})
FILE(RELATIVE_PATH file ${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda ${file})
SET(SOURCE_FILES ${SOURCE_FILES} ${file}) #append
ENDFOREACH(file)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda/${subdir}/include)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda/${subdir}/src)
ENDFOREACH(subdir)
#CUDA_INCLUDE_DIRECTORIES(BEFORE ${OPENMM_BUILD_FREE_ENERGY_PATH}/jama/include)
CUDA_INCLUDE_DIRECTORIES(${OPENMM_BUILD_FREE_ENERGY_PATH}/platforms/cuda/../src
${OPENMM_DIR}/platforms/cuda/src
${OPENMM_DIR}/platforms/cuda/src/kernels
${OPENMM_DIR}/openmmapi/include )
CUDA_ADD_LIBRARY(${STATIC_TARGET} STATIC ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
# required for getting OPENMM_EXPORT to be set correctly in 'class OPENMM_EXPORT CudaStreamFactory', ...
# see OpenMM/openmmapi/include/internal/windowsExport.h for details
SET(CUDA_STATIC_COMPILE_FLAG "-DOPENMM_BUILDING_STATIC_LIBRARY -DOPENMM_USE_STATIC_LIBRARIES -DCUDPP_STATIC_LIB")
SET_TARGET_PROPERTIES(${STATIC_TARGET} PROPERTIES COMPILE_FLAGS ${CUDA_STATIC_COMPILE_FLAG})
TARGET_LINK_LIBRARIES(${STATIC_TARGET} optimized ${OPENMM_LIBRARY_NAME}_static)
TARGET_LINK_LIBRARIES(${STATIC_TARGET} debug ${OPENMM_LIBRARY_NAME}_static_d optimized ${OPENMM_LIBRARY_NAME}_static ${CUFFT_TARGET_LINK})
INSTALL_TARGETS(/lib/plugins RUNTIME_DIRECTORY /lib/plugins ${STATIC_TARGET})
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