Dear all,
Anyone have successfully built the 4.6.3 release using MKL?
I keep getting the following error message:
-- Looking for DftiCreateDescriptor - not found
CMake Error at CMakeLists.txt:1018 (message):
Linking with MKL was requested, but was not successful. The
include path
to mkl.h in MKL_INCLUDE_DIR, and the link libraries in
MKL_LIBRARIES=/lustre/utility/intel/mkl/lib/intel64/libmkl_intel_thread.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_core.so;/lustre/utility/intel/mkl/lib/intel64/libfftw2xf_double_intel.a;/lustre/utility/intel/mkl/lib/intel64/libmkl_avx2.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_scalapack_lp64.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_intel_lp64.so
need to match what the MKL documentation says you need for your
system.
Use full paths to library files, in the right order, and separated by
semicolons.
Here is how I use CMAKE:
CC=mpicc CXX=mpicxx
CMAKE_PREFIX_PATH=$CUDAPATH/include:$CUDAPATH/lib64:$CUDAPATH/bin \
/lustre/utility/bin/cmake \
-DGMX_FFT_LIBRARY=mkl \
-DMKL_LIBRARIES="${MKL}/lib/intel64/libmkl_intel_thread.so;${MKL}/lib/intel64/libmkl_core.so;${MKL}/lib/intel64/libfftw2xf_double_intel.a;${MKL}/lib/intel64/libmkl_avx2.so;${MKL}/lib/intel64/libmkl_scalapack_lp64.so;${MKL}/lib/intel64/libmkl_intel_lp64.so"
\
-DMKL_INCLUDE_DIR="${MKL}/include" \
-DGMX_MPI=ON \
-DGMX_GPU=OFF [-DCUDA_TOOLKIT_ROOT_DIR=$CUDAPATH] \
-DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \
-DGMX_X11=OFF ../$APP \
-DGMX_THREADS=OFF
Any hints here?
I thank you in advance,
'Eric.
--
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Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm>
Shanghai Jiao Tong University
Network & Information Center
room 205
Minhang Campus
800 Dongchuan Road
Shanghai 200240
China
View Éric Germaneau's profile on LinkedIn
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