[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 \
     --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
...
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