#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
+# Copyright (c) 2012,2013,2014,2015,2016 by the GROMACS development team.
+# Copyright (c) 2017,2018,2019,2020,2021, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
# all their stuff. It's not easy if you only want some of their
# stuff...
set(MKL_MANUALLY FALSE)
-if (GMX_FFT_LIBRARY STREQUAL "MKL" AND
- NOT (CMAKE_C_COMPILER_ID MATCHES "Intel" AND CMAKE_C_COMPILER_VERSION VERSION_GREATER "11"))
+if (GMX_FFT_LIBRARY STREQUAL "MKL" AND NOT GMX_INTEL_LLVM)
# The user will have to provide the set of magic libraries in
# MKL_LIBRARIES (see below), which we cache (non-advanced), so that they
# don't have to keep specifying it, and can easily see that
set(PKG_FFT "${${FFTW}_PKG}")
include_directories(SYSTEM ${${FFTW}_INCLUDE_DIRS})
- if ((${GMX_SIMD_ACTIVE} MATCHES "SSE" OR ${GMX_SIMD_ACTIVE} MATCHES "AVX") AND NOT ${FFTW}_HAVE_SIMD)
- set(FFT_WARNING_MESSAGE "The fftw library found is compiled without SIMD support, which makes it slow. Consider recompiling it or contact your admin")
- else()
- if(${GMX_SIMD_ACTIVE} MATCHES "AVX" AND NOT (${FFTW}_HAVE_SSE OR ${FFTW}_HAVE_SSE2))
- # If we end up here we have an AVX Gromacs build, and
- # FFTW with SIMD.
- set(FFT_WARNING_MESSAGE "The FFTW library was compiled with neither --enable-sse nor --enable-sse2; those would have enabled SSE(2) SIMD instructions. This will give suboptimal performance. You should (re)compile the FFTW library with --enable-sse2 and --enable-avx (and --enable-avx2 or --enable-avx512 if supported).")
- endif()
+ if(NOT WIN32) # Detection doesn't work on Windows
+ if ((${GMX_SIMD_ACTIVE} MATCHES "SSE" OR ${GMX_SIMD_ACTIVE} MATCHES "AVX") AND NOT ${FFTW}_HAVE_SIMD)
+ set(FFT_WARNING_MESSAGE "The fftw library found is compiled without SIMD support, which makes it slow. Consider recompiling it or contact your admin")
+ else()
+ if(${GMX_SIMD_ACTIVE} MATCHES "AVX" AND NOT (${FFTW}_HAVE_SSE OR ${FFTW}_HAVE_SSE2))
+ # If we end up here we have an AVX Gromacs build, and
+ # FFTW with SIMD.
+ set(FFT_WARNING_MESSAGE "The FFTW library was compiled with neither --enable-sse nor --enable-sse2; those would have enabled SSE(2) SIMD instructions. This will give suboptimal performance. You should (re)compile the FFTW library with --enable-sse2 and --enable-avx (and --enable-avx2 or --enable-avx512 if supported).")
+ endif()
+ endif()
endif()
find_path(ARMPL_INCLUDE_DIR "armpl.h" HINTS ${${FFTW}_INCLUDE_DIRS}
set(FFT_LIBRARIES ${${FFTW}_LIBRARIES})
elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
- # Intel 11 and up makes life somewhat easy if you just want to use
+ # Intel compilers make life somewhat easy if you just want to use
# all their stuff. It's not easy if you only want some of their
# stuff...
if (NOT MKL_MANUALLY)
# The next line takes care of everything for MKL
if (WIN32)
- # This works according to the Intel MKL 10.3 for Windows
- # docs, but on Jenkins Win2k8, icl tries to interpret it
- # as a file. Shrug.
set(FFT_LINKER_FLAGS "/Qmkl:sequential")
+ elseif(GMX_INTEL_LLVM AND GMX_INTEL_LLVM_VERSION GREATER_EQUAL 2021020)
+ set(FFT_LINKER_FLAGS "-qmkl=sequential")
else()
set(FFT_LINKER_FLAGS "-mkl=sequential")
endif()