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Resolve "SYCL + DPCPP cmake config fails in gmxManageFFTLibraries.cmake"
author
Andrey Alekseenko
<al42and@gmail.com>
Fri, 15 Oct 2021 09:49:07 +0000
(09:49 +0000)
committer
Mark Abraham
<mark.j.abraham@gmail.com>
Fri, 15 Oct 2021 09:49:07 +0000
(09:49 +0000)
CMakeLists.txt
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diff --git
a/CMakeLists.txt
b/CMakeLists.txt
index 0d6a4b7f2718e7669a99dc168d5d5904c96c8396..a872e2650431cf9820df12e18b0beef43fac63e8 100644
(file)
--- a/
CMakeLists.txt
+++ b/
CMakeLists.txt
@@
-209,7
+209,13
@@
gmx_option_multichoice(
"AUTO"
AUTO None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256 AVX2_128 AVX_512 AVX_512_KNL ARM_NEON_ASIMD ARM_SVE IBM_VSX Reference)
"AUTO"
AUTO None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256 AVX2_128 AVX_512 AVX_512_KNL ARM_NEON_ASIMD ARM_SVE IBM_VSX Reference)
-set(GMX_FFT_LIBRARY_DEFAULT "fftw3")
+include(gmxTestIntelLLVM)
+
+if (GMX_INTEL_LLVM)
+ set(GMX_FFT_LIBRARY_DEFAULT "mkl")
+else()
+ set(GMX_FFT_LIBRARY_DEFAULT "fftw3")
+endif()
gmx_option_multichoice(
GMX_FFT_LIBRARY
gmx_option_multichoice(
GMX_FFT_LIBRARY
@@
-295,7
+301,6
@@
include(gmxManageOpenMP)
# These need to be done early (before further tests).
#####################################################################
# These need to be done early (before further tests).
#####################################################################
-include(gmxTestIntelLLVM)
include(gmxCFlags)
gmx_c_flags()
include(gmxCFlags)
gmx_c_flags()
@@
-561,6
+566,18
@@
include(gmxManageLmfit)
include(gmxManageMuparser)
include(gmxManageMuparser)
+##################################################
+# Process SIMD instruction settings
+##################################################
+# This checks what flags to add in order to
+# support the SIMD instructions we need, it sets
+# correct defines for the SIMD instructions supported,
+# and adds advanced options to control accuracy
+# for SIMD math operations.
+include(gmxManageSimd)
+gmx_manage_simd()
+
+
if(GMX_GPU)
string(TOUPPER "${GMX_GPU}" _gmx_gpu_uppercase)
if(GMX_GPU)
string(TOUPPER "${GMX_GPU}" _gmx_gpu_uppercase)
@@
-687,18
+704,6
@@
if(NOT GMX_SYSTEM_XDR OR CMAKE_SYSTEM_NAME STREQUAL "Darwin")
set(GMX_INTERNAL_XDR 1)
endif()
set(GMX_INTERNAL_XDR 1)
endif()
-
-##################################################
-# Process SIMD instruction settings
-##################################################
-# This checks what flags to add in order to
-# support the SIMD instructions we need, it sets
-# correct defines for the SIMD instructions supported,
-# and adds advanced options to control accuracy
-# for SIMD math operations.
-include(gmxManageSimd)
-gmx_manage_simd()
-
##################################################
# Process FFT library settings
##################################################
##################################################
# Process FFT library settings
##################################################