Commit 13bb02b1 authored by Richard Berger's avatar Richard Berger
Browse files

Updated CMake build for USER-INTEL 

- Removed differences between MAKE/OPTIONS/Makefile.intel_cpu/coprocessor and
  CMake compilation and added INTEL_ARCH to select between CPU and KNL.
- Added some sanity checks for requirements
- Added FindTBB
parent afbfaf0a

cmake/CMakeLists.txt

+34 −15
Original line number Diff line number Diff line
@@ -106,8 +106,6 @@ if(NOT BUILD_EXE AND NOT BUILD_LIB) 
  message(FATAL_ERROR "You need to at least enable one of two following options: BUILD_LIB or BUILD_EXE")

endif()



option(DEVELOPER_MODE "Enable developer mode" OFF)

mark_as_advanced(DEVELOPER_MODE)

option(CMAKE_VERBOSE_MAKEFILE "Generate verbose Makefiles" OFF)

include(GNUInstallDirs)
@@ -728,33 +726,54 @@ if(PKG_OPT) 
endif()



if(PKG_USER-INTEL)

    if(NOT DEVELOPER_MODE)

    find_package(TBB REQUIRED)

    find_package(MKL REQUIRED)



    if(NOT CMAKE_CXX_COMPILER_ID STREQUAL "Intel")

      message(FATAL_ERROR "USER-INTEL is only useful together with intel compiler")

    endif()



    if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16)

        message(FATAL_ERROR "USER-INTEL is needed at least 2016 intel compiler, found ${CMAKE_CXX_COMPILER_VERSION}")

    endif()



    if(NOT BUILD_OMP)

        message(FATAL_ERROR "USER-INTEL requires OpenMP")

    endif()

    option(INJECT_KNL_FLAG "Inject flags for KNL build" OFF)

    if(INJECT_KNL_FLAG)

      set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xMIC-AVX512")



    if(NOT ${LAMMPS_MEMALIGN} STREQUAL "64")

        message(FATAL_ERROR "USER-INTEL is only useful with LAMMPS_MEMALIGN=64")

    endif()

    option(INJECT_INTEL_FLAG "Inject OMG fast flags for USER-INTEL" ON)

    if(INJECT_INTEL_FLAG AND CMAKE_CXX_COMPILER_ID STREQUAL "Intel")



    set(INTEL_ARCH "cpu" CACHE STRING "Architectures used by USER-INTEL (cpu or knl)")

    set_property(CACHE INTEL_ARCH PROPERTY STRINGS cpu knl)







    if(INTEL_ARCH STREQUAL "knl")

      set(CMAKE_EXE_LINKER_FLAGS  "${CMAKE_EXE_LINKER_FLAGS} -xHost -qopenmp -qoffload")

      set(MIC_OPTIONS "-qoffload-option,mic,compiler,\"-fp-model fast=2 -mGLOB_default_function_attrs=\\\"gather_scatter_loop_unroll=4\\\"\"")

      add_compile_options(-xMIC-AVX512 -qoffload -fno-alias -ansi-alias -restrict -qoverride-limits ${MIC_OPTIONS})

      add_definitions(-DLMP_INTEL_OFFLOAD)

    else()

      if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.3 OR CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.4)

        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xCOMMON-AVX512")

      else()

        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xHost")

      endif()

      include(CheckCXXCompilerFlag)

      foreach(_FLAG -qopenmp -qno-offload -fno-alias -ansi-alias -restrict -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG -O2 "-fp-model fast=2" -no-prec-div -qoverride-limits -qopt-zmm-usage=high)

      foreach(_FLAG -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -restrict)

        check_cxx_compiler_flag("${__FLAG}" COMPILER_SUPPORTS${_FLAG})

        if(COMPILER_SUPPORTS${_FLAG})

          set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${_FLAG}")

          add_compile_options(${_FLAG})

        endif()

      endforeach()

    endif()



    add_definitions(-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG)



    list(APPEND LAMMPS_LINK_LIBS ${TBB_MALLOC_LIBRARIES} ${MKL_LIBRARIES})



    set(USER-INTEL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-INTEL)

    set(USER-INTEL_SOURCES ${USER-INTEL_SOURCES_DIR}/intel_preprocess.h

                           ${USER-INTEL_SOURCES_DIR}/intel_buffers.h

cmake/Modules/FindTBB.cmake

0 → 100644
+46 −0
Original line number Diff line number Diff line 
# - Find parts of TBB

# Find the native TBB headers and libraries.

#

#  TBB_INCLUDE_DIRS - where to find tbb.h, etc.

#  TBB_LIBRARIES    - List of libraries when using tbb.

#  TBB_FOUND        - True if tbb found.

#



########################################################

# TBB



# TODO use more generic FindTBB



find_path(TBB_INCLUDE_DIR NAMES tbb/tbb.h PATHS $ENV{TBBROOT}/include)

find_library(TBB_LIBRARY NAMES tbb PATHS $ENV{TBBROOT}/lib/intel64/gcc4.7

                                         $ENV{TBBROOT}/lib/intel64/gcc4.4

                                         $ENV{TBBROOT}/lib/intel64/gcc4.1)

set(TBB_LIBRARIES ${TBB_LIBRARY})

set(TBB_INCLUDE_DIRS ${TBB_INCLUDE_DIR})



include(FindPackageHandleStandardArgs)

# handle the QUIETLY and REQUIRED arguments and set TBB_FOUND to TRUE

# if all listed variables are TRUE



find_package_handle_standard_args(TBB DEFAULT_MSG TBB_LIBRARY TBB_INCLUDE_DIR)



mark_as_advanced(TBB_INCLUDE_DIR TBB_LIBRARY )



########################################################

# TBB Malloc



find_path(TBB_MALLOC_INCLUDE_DIR NAMES tbb/tbb.h PATHS $ENV{TBBROOT}/include)

find_library(TBB_MALLOC_LIBRARY NAMES tbbmalloc PATHS $ENV{TBBROOT}/lib/intel64/gcc4.7

                                                      $ENV{TBBROOT}/lib/intel64/gcc4.4

                                                      $ENV{TBBROOT}/lib/intel64/gcc4.1)



set(TBB_MALLOC_LIBRARIES ${TBB_MALLOC_LIBRARY})

set(TBB_MALLOC_INCLUDE_DIRS ${TBB_MALLOC_INCLUDE_DIR})



include(FindPackageHandleStandardArgs)

# handle the QUIETLY and REQUIRED arguments and set TBB_MALLOC_FOUND to TRUE

# if all listed variables are TRUE



find_package_handle_standard_args(TBB_MALLOC DEFAULT_MSG TBB_MALLOC_LIBRARY TBB_MALLOC_INCLUDE_DIR)



mark_as_advanced(TBB_MALLOC_INCLUDE_DIR TBB_MALLOC_LIBRARY )

doc/src/Build_extras.txt

+3 −2
Original line number Diff line number Diff line
@@ -648,8 +648,9 @@ intel"_Speed_intel.html doc page. 


[CMake build]:



TODO: How do you choose CPU vs KKL, so that CMake knows

which flags to add to CCFLAGS ??

-D INTEL_ARCH=value     # value = cpu (default) or knl :pre



Requires an Intel compiler, Intel TBB and MKL and has to be built with "-D BUILD_OMP=on".



[Traditional make]:

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