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

da... at davidgunter.com da... at davidgunter.com
Wed May 1 02:11:18 UTC 2019

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 \

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  
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190430/0ef958b3/attachment.htm>

More information about the CP2K-user mailing list