[CP2K-user] [CP2K:11634] How to disable building of OpenBLAS when using Intel compilers with MKL?

[Tiziano Müller]

Hi David,

the title of the build step basically gives it away:

 > ==================== Getting proc arch info using OpenBLAS tools
 > ====================

... meaning that we're using OpenBLAS' facilities to identify the CPU 
(micro-)architecture. But that part of the script does not build the 
full OpenBLAS.
To avoid OpenBLAS being built (just enabling MKL does not disable it 
unfortunately), you should also add:

   --with-openblas=no

Best regards,
Tiziano


On 01.05.19 04:11, da... at davidgunter.com wrote:
> I am trying to build cp2k on a Broadwell-based system using the Intel 
> 2018.0.4 compilers and the MKL that ships with it.  No matter what I 
> try, the install script proceeds to build OpenBLAS.
> 
> 
> 
> Here's my latest efforts:
> 
> $ ./install_cp2k_toolchain.sh -j 8 --mpi-mode=mpich --with-gcc=no \
>       --with-cmake=system \
>       --enable-cuda \
>       --gpu-ver=P100 \
>       --with-mkl=$MKLROOT \
>       --with-fftw=system \
>       --with-libxc=install \
>       --with-libint=install \
>       --with-libxsmm=install
> 
> nvcc found, enabling CUDA by default
> Compiling with 8 processes.
> Step valgrind took 0.00 seconds.
> ==================== Finding CMake from system paths ====================
> path to cmake is  
> /usr/projects/hpcsoft/toss3/common/x86_64/cmake/3.14.0/bin/cmake
> Step cmake took 0.00 seconds.
> Step gcc took 0.00 seconds.
> ==================== Getting proc arch info using OpenBLAS tools 
> ====================
> OpenBLAS-0.3.5.tar.gz: OK
> Checksum of OpenBLAS-0.3.5.tar.gz Ok
> ...
> 
> -- 
> You received this message because you are subscribed to the Google 
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send 
> an email to cp... at googlegroups.com 
> <mailto:cp... at googlegroups.com>.
> To post to this group, send email to cp... at googlegroups.com 
> <mailto:cp... at googlegroups.com>.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.

-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch