Hi, Does anyone of you have experience with compiling CP2K with DeepMD support? Specifically, I am using the CRAY-XC50-gnu.smp architecture file that is provided added the --with-deepmd flag as requested: ./install_cp2k_toolchain.sh --enable-cuda=yes --gpu-ver=P100 -j${maxtasks} --no-arch-files --with-deepmd --with-gcc=system --with-hdf5 --with-libvdwxc --with-pexsi --with-plumed --with-sirius=no; \ and uncommented USE_DEEPMD = ... (line 82). Then, I source the file and use make to compile it. However, when I try to use cp2k, I get the following error: "CP2K was compiled without libdeepmd_c library." Is there another change that has to be made somewhere? Any help would be appreciated. Thanks! -- 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 <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/eb34bd73-8402-4dc4-8b64-fa0ec254dbabn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/eb34bd73-8402-4dc4-8b64-fa0ec254dbabn%40googlegroups.com</a>.