CP2K Open Source Molecular Dynamics

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howto:compile_on_windows

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howto:compile_on_windows [2025/08/21 13:32] – Exclude SIRIUS from parallel build krackhowto:compile_on_windows [2025/08/21 14:08] (current) – Revert last change and force full cleaning krack
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 First reset the CP2K repository to the state of a fresh ''git clone'' if needed with First reset the CP2K repository to the state of a fresh ''git clone'' if needed with
 <code> <code>
-git clean -fdx+git clean -ffdx
 </code> </code>
 Install additional packages needed for an MPI/OpenMP parallel CP2K binary. Here we use the MPI implementation ''MPICH'' Install additional packages needed for an MPI/OpenMP parallel CP2K binary. Here we use the MPI implementation ''MPICH''
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 <code> <code>
 cd tools/toolchain cd tools/toolchain
-./install_cp2k_toolchain.sh --install-all --with-gcc=system --with-mpich=system --with-dftd4=no --with-sirius=no --with-libvdwxc=no+./install_cp2k_toolchain.sh --install-all --with-gcc=system --with-mpich=system --with-dftd4=no
 </code> </code>
 The commands for compiling The commands for compiling
howto/compile_on_windows.1755783160.txt.gz · Last modified: by krack