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36 # Set up the module library
37 add_library(ewald INTERFACE)
38 gmx_add_libgromacs_sources(
39 calculate_spline_moduli.cpp
42 long_range_correction.cpp
46 pme_load_balancing.cpp
53 # Files that implement stubs
55 pme_pp_comm_gpu_impl.cpp
56 pme_coordinate_receiver_gpu_impl.cpp
57 pme_force_sender_gpu_impl.cpp
60 gmx_add_libgromacs_sources(
61 # CUDA-specific sources
65 pme_gpu_program_impl.cu
66 pme_pp_comm_gpu_impl.cu
67 pme_force_sender_gpu_impl.cu
68 pme_coordinate_receiver_gpu_impl.cu
69 # GPU-specific sources
74 _gmx_add_files_to_property(CUDA_SOURCES
75 # Must add these files so they can include device_information.h
79 elseif (GMX_GPU_OPENCL)
80 gmx_add_libgromacs_sources(
81 # OpenCL-specific sources
82 pme_gpu_program_impl_ocl.cpp
83 # GPU-specific sources
89 # SYCL-TODO: proper implementation
90 gmx_add_libgromacs_sources(
91 # Files that implement stubs
92 pme_gpu_sycl_stubs.cpp
93 # GPU-specific sources
98 _gmx_add_files_to_property(SYCL_SOURCES
101 pme_gpu_sycl_stubs.cpp
102 pme_gpu_3dfft_sycl.cpp
106 gmx_add_libgromacs_sources(
107 # Files that implement stubs
108 pme_gpu_program_impl.cpp
112 # Source files have the following private module dependencies.
113 target_link_libraries(ewald PRIVATE
120 # Public interface for modules, including dependencies and interfaces
121 #target_include_directories(ewald PUBLIC
122 target_include_directories(ewald INTERFACE
123 $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
124 #target_link_libraries(ewald PUBLIC
125 target_link_libraries(ewald INTERFACE
129 # TODO: when fileio is an OBJECT target
130 #target_link_libraries(ewald PUBLIC legacy_api)
131 #target_link_libraries(ewald PRIVATE common)
133 # Module dependencies
134 # This module convey transitive dependence on these modules.
135 #target_link_libraries(ewald PUBLIC
136 target_link_libraries(ewald INTERFACE
139 # Source files have the following private module dependencies.
140 #target_link_libraries(ewald PRIVATE tng_io)
141 # TODO: Explicitly link specific modules.
142 #target_link_libraries(ewald PRIVATE legacy_modules)
145 add_subdirectory(tests)
149 set(PME_OCL_KERNEL_SOURCES
150 "${CMAKE_CURRENT_SOURCE_DIR}/pme_gpu_calculate_splines.clh"
151 "${CMAKE_CURRENT_SOURCE_DIR}/pme_solve.clh"
152 "${CMAKE_CURRENT_SOURCE_DIR}/pme_gather.clh"
153 "${CMAKE_CURRENT_SOURCE_DIR}/pme_spread.clh")
156 set(OCL_COMPILER "${CLANG_TIDY_EXE}")
157 set(CLANG_TIDY_ARGS "-quiet;-checks=*,-readability-implicit-bool-conversion,-llvm-header-guard,-hicpp-signed-bitwise,-clang-analyzer-deadcode.DeadStores,-google-readability-todo,-clang-diagnostic-padded,-fcomment-block-commands=internal;--;${CMAKE_C_COMPILER}")
159 set(OCL_COMPILER "${CMAKE_C_COMPILER}")
162 # TODO: test all warp sizes on all vendor targets?
163 foreach(VENDOR AMD NVIDIA INTEL)
164 foreach(WARPSIZE 16 32 64)
165 math(EXPR SPREAD_WG_SIZE "8*${WARPSIZE}")
166 math(EXPR SOLVE_WG_SIZE "8*${WARPSIZE}")
167 math(EXPR GATHER_WG_SIZE "4*${WARPSIZE}")
168 set(OBJ_FILE pme_ocl_kernel_warpSize${WARPSIZE}_${VENDOR}.o)
169 add_custom_command(OUTPUT ${OBJ_FILE} COMMAND ${OCL_COMPILER}
170 ${CMAKE_CURRENT_SOURCE_DIR}/pme_program.cl ${CLANG_TIDY_ARGS}
171 -Xclang -finclude-default-header -D_${VENDOR}_SOURCE_
172 -Dwarp_size=${WARPSIZE}
175 -Dc_pmeMaxUnitcellShift=2
176 -Dc_skipNeutralAtoms=false
177 -Dc_virialAndEnergyCount=7
178 -Dc_spreadWorkGroupSize=${SPREAD_WG_SIZE}
179 -Dc_solveMaxWorkGroupSize=${SOLVE_WG_SIZE}
180 -Dc_gatherWorkGroupSize=${GATHER_WG_SIZE}
181 -DDIM=3 -DXX=0 -DYY=1 -DZZ=2
182 -DwrapX=true -DwrapY=true
183 -c -I ${CMAKE_SOURCE_DIR}/src -std=cl1.2
184 -Weverything -Wno-conversion -Wno-missing-variable-declarations -Wno-used-but-marked-unused
185 -Wno-cast-align -Wno-incompatible-pointer-types
186 # to avoid "warning: unknown command tag name" for \internal
187 -Wno-documentation-unknown-command
188 # to avoid pme_gpu_types.h:100:52: warning: padding struct 'struct PmeGpuConstParams' with 4 bytes to align 'd_virialAndEnergy'
192 list(APPEND PME_OCL_KERNELS ${OBJ_FILE})
196 add_custom_target(ocl_pme_kernels DEPENDS ${PME_OCL_KERNELS} )
197 gmx_set_custom_target_output(ocl_pme_kernels ${PME_OCL_KERNELS})