[CP2K-user] [CP2K:18352] Pexsi error when installing with toolchain

jerryt...@gmail.com jerrytanoury at gmail.com
Thu Jan 19 18:41:12 UTC 2023

I'm installing 2023.1 using the toolchain: gcc-10.3.0, MKL libs, 
cuda-11.2.  The install runs smoothly until I get to pexsi. 
I used the following for the build:
./install_cp2k_toolchain.sh -j 8 --no-check-certificate --install-all 
--with-gcc=system --with-openmpi --with-mkl --with-sirius=no 
--with-spfft=no --with-cmake=system --enable-cuda --gpu-ver=P100 
--with-pexsi=yes --with-sirius=no --with-quip=no --with-hdf5=no 
--with-libvdwxc=no --with-spla=no --with-libtorch=no

The toolchain output is:
==================== Installing PT-Scotch ====================
scotch_6.0.0.tar.gz is found
Installing from scratch into 
Step ptscotch took 18.00 seconds.
==================== Installing SuperLU_DIST ====================
superlu_dist_6.1.0.tar.gz is found
Installing from scratch into 
Step superlu took 27.00 seconds.
==================== Linking Pexsi_Dist to user paths ====================
ERROR: (./scripts/stage5/install_pexsi.sh) Cannot find yes/lib
ERROR: (./scripts/stage5/install_pexsi.sh, line 357) Non-zero exit code 

Any help to fix this is greatly appreciated.


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