CP2K Open Source Molecular Dynamics

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howto:compile_on_cray_cscs [2023/01/23 17:38] – [2. Build CP2K production binary] krackhowto:compile_on_cray_cscs [2023/01/23 17:38] – [2. Build CP2K production binary] krack
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 source arch/CRAY-XC50-gnu.psmp source arch/CRAY-XC50-gnu.psmp
 </code> </code>
-This will load the required module environment, build the CP2K toolchain, and compile (make) the CP2K binary for the selected partition. The CP2K binary ''cp2k.psmp'' will be created in the folder ''cp2k/exe/<arch name>/''.+This will load the required module environment, build the CP2K toolchain, and compile (make) the CP2K binary for the selected partition. The CP2K binary ''cp2k.psmp'' will be created in the folder ''cp2k/exe/<arch_name>/''.
  
 **Enjoy CP2K on CRAY!** **Enjoy CP2K on CRAY!**
howto/compile_on_cray_cscs.txt · Last modified: 2023/01/25 08:29 by krack