[CP2K-user] FFTW-MPI library and Intel MKL libs

[jer...@gmail.com]

Hi,
I'm installing cp2k-8.2 via the toolchain.  I have my own MKL libs 
installed and Openmpi 4.0.5.  I am hoping to use the FFTW3 MKL libs (I 
assume these are faster than those installed from fftw-3.3.8???).  However, 
I'm getting the following WARNING, below, from the toolchain.  I'm not sure 
if I missed something on installing the fftw3 wrappers in MKL.


==================== Linking OpenMPI to user paths ====================
Found directory 
/cluster/home/tanoury/GNU-builds/gnu_10.2.0_builds/openmpi-4.0.5/bin
Found directory 
/cluster/home/tanoury/GNU-builds/gnu_10.2.0_builds/openmpi-4.0.5/lib
Found directory 
/cluster/home/tanoury/GNU-builds/gnu_10.2.0_builds/openmpi-4.0.5/include
Step openmpi took 1.00 seconds.
WARNING: 
(/cluster/home/tanoury/CP2K/cp2k-8.2/tools/toolchain/scripts/stage2/install_mkl.sh, 
line 26) MKL FFTW3 interface is present, but FFTW library is needed 
(FFTW-MPI)

Thank you for the help,
Jerry
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210610/a16916e8/attachment.htm>