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https://github.com/cp2k/cp2k.git
synced 2026-07-28 22:25:32 -04:00
[cmake] Cleanup the GPU architecture logic
This commit is contained in:
Taillefumier Mathieu
GitHub
parent
b77b4bea63
commit
8c2292af2a
2 changed files with 105 additions and 45 deletions
149
CMakeLists.txt
149
CMakeLists.txt
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@ -42,16 +42,33 @@ project(
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list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/cmake/modules")
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# set language and standard.
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#
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# cmake does not provide any mechanism to set the fortran standard. Adding the
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# `std` option to compiler flags is the only way to control it. So leave them
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# be.
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#
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if(NOT DEFINED CMAKE_CUDA_STANDARD)
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set(CMAKE_CUDA_STANDARD 11)
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set(CMAKE_CUDA_STANDARD_REQUIRED ON)
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endif()
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# set language and standard
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set(CMAKE_CXX_STANDARD 14)
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set(CMAKE_C_STANDARD 11)
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set(CMAKE_HIP_STANDARD 14)
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set(CMAKE_CUDA_STANDARD 14)
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if(NOT DEFINED CMAKE_CXX_STANDARD)
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set(CMAKE_CXX_STANDARD 14)
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set(CMAKE_CXX_STANDARD_REQUIRED ON)
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endif()
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if(NOT DEFINED CMAKE_C_STANDARD)
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set(CMAKE_C_STANDARD 11)
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set(CMAKE_C_STANDARD_REQUIRED ON)
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endif()
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if(NOT DEFINED CMAKE_HIP_STANDARD)
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set(CMAKE_HIP_STANDARD 14)
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set(CMAKE_HIP_STANDARD_REQUIRED ON)
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endif()
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# remove NDEBUG flag
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string(REPLACE "-DNDEBUG" "" CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE})
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string(REPLACE "-DNDEBUG" "" CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE})
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@ -92,8 +109,8 @@ endforeach()
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# =================================================================================================
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# OPTIONS
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option(CMAKE_POSITION_INDEPENDENT_CODE "Enable position independent code" ON)
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option(CP2K_ENABLE_CONSISTENCY_CHECKS
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"Check that the list of compiled files and files contained in src match"
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OFF)
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@ -154,7 +171,7 @@ cmake_dependent_option(
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"CP2K_USE_ACCEL MATCHES \"HIP|CUDA\"" OFF)
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cmake_dependent_option(
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CP2K_ENABLE_PW_GPU "Disable the ffts accelerated backend (mostly GPU)." OFF
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CP2K_ENABLE_PW_GPU "Disable the ffts accelerated backend (mostly GPU)." ON
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"CP2K_USE_ACCEL MATCHES \"HIP|CUDA\"" OFF)
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cmake_dependent_option(
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@ -230,9 +247,9 @@ set(CP2K_SUPPORTED_HIP_ARCHITECTURES
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A40)
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set(CP2K_WITH_GPU
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"P100"
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"NONE"
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CACHE STRING
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"Set the CUDA GPU architecture if HIP is enabled (default: P100)")
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"Set the CUDA GPU architecture if HIP is enabled (default: NONE)")
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set_property(
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CACHE CP2K_WITH_GPU PROPERTY STRINGS ${CP2K_SUPPORTED_CUDA_ARCHITECTURES}
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@ -383,17 +400,67 @@ if((CP2K_USE_ACCEL MATCHES CUDA) OR (CP2K_USE_ACCEL MATCHES HIP))
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set(CP2K_GPU_ARCH_NUMBER_Mi200 gfx90a)
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set(CP2K_GPU_ARCH_NUMBER_Mi250 gfx90a)
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set(CP2K_GPU_ARCH_NUMBER_Mi300 gfx942)
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# CMAKE_HIP_ARCHITECTURES and CMAKE_CUDA_ARCHITECTURES are the prefered
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# mechanism to set the gpu architecture. We still offer the CP2K_WITH_GPU
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# option to avoid breaking the ci/cd or any other scripts based on this
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# option.
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# check that CMAKE_{HIP|CUDA}_ARCHITECTURES or CP2K_WITH_GPU are given
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if((NOT DEFINED CMAKE_HIP_ARCHITECTURES)
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AND (NOT DEFINED CMAKE_CUDA_ARCHITECTURES)
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AND (CP2K_WITH_GPU MATCHES NONE))
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message(
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FATAL_ERROR
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"----------------------------------------------------------------\n"
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" \n"
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"CMAKE_{HIP|CUDA}_ARCHITECTURES or CP2K_WITH_GPU should be given.\n"
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" \n"
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"----------------------------------------------------------------\n")
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endif()
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set(_ignore_with_gpu_option false)
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if((DEFINED CMAKE_HIP_ARCHITECTURES) OR (DEFINED CMAKE_CUDA_ARCHITECTURES))
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set(_ignore_with_gpu_option true)
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endif()
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if(NOT _ignore_with_gpu_option)
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message(
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STATUS
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"\nCP2K_WITH_GPU is deprecated in favor of CMAKE_HIP_ARCHITECTURES or CMAKE_CUDA_ARCHITECTURES\n"
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)
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if(CP2K_USE_ACCEL MATCHES CUDA)
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list(FIND CP2K_SUPPORTED_CUDA_ARCHITECTURES ${CP2K_WITH_GPU}
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CP2K_GPU_SUPPORTED)
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if(CP2K_GPU_SUPPORTED EQUAL -1)
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message(
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FATAL_ERROR
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"GPU architecture (${CP2K_WITH_GPU}) is not supported. Please choose from: ${CP2K_SUPPORTED_CUDA_ARCHITECTURES}"
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)
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endif()
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set(CMAKE_CUDA_ARCHITECTURES ${CP2K_GPU_ARCH_NUMBER_${CP2K_WITH_GPU}})
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else(CP2K_USE_ACCEL MATCHES HIP)
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list(FIND CP2K_SUPPORTED_HIP_ARCHITECTURES ${CP2K_WITH_GPU}
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CP2K_GPU_SUPPORTED)
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if(CP2K_GPU_SUPPORTED EQUAL -1)
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message(
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FATAL_ERROR
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"GPU architecture (${CP2K_WITH_GPU}) is not supported. Please choose from: ${CP2K_SUPPORTED_HIP_ARCHITECTURES}"
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)
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endif()
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set(CMAKE_HIP_ARCHITECTURES "${CP2K_GPU_ARCH_NUMBER_${CP2K_WITH_GPU}}")
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endif()
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endif()
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endif()
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set(CP2K_USE_HIP OFF)
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set(CP2K_USE_CUDA OFF)
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set(CP2K_USE_OPENCL OFF)
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option(CP2K_USE_PW_GPU "Enable GPU in CUDA" OFF)
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if(CP2K_USE_ACCEL MATCHES "CUDA")
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option(CP2K_WITH_CUDA_PROFILING "Enable CUDA profiling" OFF)
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# P100 is the default target.
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set(CMAKE_CUDA_ARCHITECTURES 60)
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# allow for unsupported compilers (gcc/cuda version mismatch)
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set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} -allow-unsupported-compiler")
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@ -405,21 +472,12 @@ if(CP2K_USE_ACCEL MATCHES "CUDA")
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find_package(CUDAToolkit REQUIRED)
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endif()
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list(FIND CP2K_SUPPORTED_CUDA_ARCHITECTURES ${CP2K_WITH_GPU}
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CP2K_GPU_SUPPORTED)
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message("\n-----------------------------------------------------------")
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message("- CUDA -")
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message("-----------------------------------------------------------\n")
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if(CP2K_GPU_SUPPORTED EQUAL -1)
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message(
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FATAL_ERROR
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"GPU architecture (${CP2K_WITH_GPU}) is not supported. Please choose from: ${CP2K_SUPPORTED_CUDA_ARCHITECTURES}"
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)
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endif()
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set(CMAKE_CUDA_ARCHITECTURES ${CP2K_GPU_ARCH_NUMBER_${CP2K_WITH_GPU}})
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message(STATUS "GPU target architecture: ${CP2K_WITH_GPU}\n"
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"GPU architecture number: ${CMAKE_CUDA_ARCHITECTURES}\n"
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"GPU profiling enabled: ${CP2K_WITH_CUDA_PROFILING}\n")
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set(CP2K_ACC_ARCH_NUMBER ${CMAKE_CUDA_ARCHITECTURES})
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message(STATUS "GPU architecture number: ${CMAKE_CUDA_ARCHITECTURES}")
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message(STATUS "GPU profiling enabled: ${CP2K_WITH_CUDA_PROFILING}")
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if(WITH_CUDA_PROFILING)
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find_library(
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@ -431,37 +489,39 @@ if(CP2K_USE_ACCEL MATCHES "CUDA")
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endif()
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set(CP2K_USE_CUDA ON)
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set(CP2K_USE_PW_GPU ON)
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if(CP2K_USE_CUSOLVER_MP)
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find_package(CuSolverMP REQUIRED)
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endif()
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message(STATUS ``"-- CUDA compiler and libraries found")
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message(STATUS "CUDA compiler and libraries found\n")
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elseif(CP2K_USE_ACCEL MATCHES "HIP")
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message("\n------------------------------------------------------------")
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message("- HIP -")
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message("------------------------------------------------------------\n")
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message(INFO "${CMAKE_HIP_ARCHITECTURES}")
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enable_language(HIP)
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# Find hip
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find_package(hipfft REQUIRED IMPORTED CONFIG)
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find_package(hipblas REQUIRED IMPORTED CONFIG)
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if(CMAKE_HIP_PLATFORM MATCHES "nvidia")
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find_package(CUDAToolkit)
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endif()
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if(NOT CMAKE_BUILD_TYPE AND (CMAKE_HIP_PLATFORM MATCHES "amd"))
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set(CMAKE_HIP_FLAGS "-O3")
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elseif(${CMAKE_BUILD_TYPE} STREQUAL "RelWithDebInfo")
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elseif(CMAKE_BUILD_TYPE STREQUAL "RelWithDebInfo")
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set(CMAKE_HIP_FLAGS "-O2 -g")
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elseif(${CMAKE_BUILD_TYPE} STREQUAL "Release")
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elseif(CMAKE_BUILD_TYPE STREQUAL "Release")
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set(CMAKE_HIP_FLAGS "-O3")
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elseif(${CMAKE_BUILD_TYPE} STREQUAL "Debug")
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elseif(CMAKE_BUILD_TYPE STREQUAL "Debug")
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set(CMAKE_HIP_FLAGS "-O0 -g")
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endif()
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set(CMAKE_HIP_ARCHITECTURES "${CP2K_GPU_ARCH_NUMBER_${CP2K_WITH_GPU}}")
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set(CP2K_ACC_ARCH_NUMBER ${CP2K_GPU_ARCH_NUMBER_${CP2K_WITH_GPU}})
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# Find hip
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find_package(hipfft REQUIRED IMPORTED CONFIG)
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find_package(hipblas REQUIRED IMPORTED CONFIG)
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set(CP2K_USE_HIP ON)
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set(CP2K_USE_PW_GPU ON)
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# use hardware atomic operations on Mi250X.
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if(NOT CMAKE_HIP_PLATFORM OR (CMAKE_HIP_PLATFORM MATCHES "amd"))
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@ -479,11 +539,14 @@ elseif(CP2K_USE_ACCEL MATCHES "HIP")
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endif()
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endif()
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elseif(CP2K_USE_ACCEL MATCHES "OPENCL")
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enable_language(C)
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find_package(OpenCL REQUIRED)
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set(CP2K_USE_OPENCL ON)
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endif()
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message("\n------------------------------------------------------------")
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message("- OPENMP -")
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message("------------------------------------------------------------\n")
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# PACKAGE DISCOVERY (compiler configuration can impact package discovery)
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find_package(OpenMP REQUIRED COMPONENTS Fortran C CXX)
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@ -724,11 +787,9 @@ if((CP2K_USE_ACCEL MATCHES "CUDA") OR (CP2K_USE_ACCEL MATCHES "HIP"))
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message(" - Hardware Acceleration:\n")
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if(CP2K_USE_ACCEL MATCHES "CUDA")
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message(
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" - CUDA:\n" # let below line separate
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" - GPU target architecture: ${CP2K_WITH_GPU}\n"
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" - GPU architecture number: ${CP2K_ACC_ARCH_NUMBER}\n"
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" - GPU profiling enabled: ${CP2K_WITH_CUDA_PROFILING}\n\n")
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message(" - CUDA:\n" # let below line separate
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" - GPU architecture number: ${CMAKE_CUDA_ARCHITECTURES}\n"
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" - GPU profiling enabled: ${CP2K_WITH_CUDA_PROFILING}\n\n")
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endif()
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if(CP2K_USE_ACCEL MATCHES "HIP")
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@ -914,7 +975,7 @@ if(NOT CP2K_USE_SPLA)
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endif()
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if(NOT CP2K_USE_HDF5)
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message(" - HDF5\n")
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message(" - HDF5")
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endif()
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if(${CP2K_USE_ACCEL} MATCHES "NONE")
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@ -1596,7 +1596,6 @@ if(CMAKE_HIP_PLATFORM MATCHES "amd")
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set(CP2K_GPU_PLATFORM_DFLAGS "__HIP_PLATFORM_AMD__")
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else()
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set(CP2K_HIP_INCLUDES "${CP2K_HIP_PATH}/include")
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message("Info: ${CP2K_HIP_INCLUDES}")
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set(CP2K_GPU_PLATFORM_DFLAGS "__HIP_PLATFORM_NVIDIA__")
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endif()
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set(CP2K_GPU_DFLAGS
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