[CP2K-user] [CP2K:18353] Re: Pexsi error when installing with toolchain

jerryt...@gmail.com jerrytanoury at gmail.com
Thu Jan 19 18:48:48 UTC 2023

Just figured it out.  Had to change "--with-pexsi=yes" to "--with-pexsi".  
And, since I have --install-all, I probably don't even need "--with-pexsi"


On Thursday, January 19, 2023 at 1:41:13 PM UTC-5 jerryt... at gmail.com wrote:

> Hi,
> 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 
> /cluster/home/tanoury/CP2K/cp2k-2023.1_GPU/tools/toolchain/install/scotch-6.0.0
> Step ptscotch took 18.00 seconds.
> ==================== Installing SuperLU_DIST ====================
> superlu_dist_6.1.0.tar.gz is found
> Installing from scratch into 
> /cluster/home/tanoury/CP2K/cp2k-2023.1_GPU/tools/toolchain/install/superlu_dist-6.1.0
> 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 
> detected.
> Any help to fix this is greatly appreciated.
> Jerry

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