howto:compile_on_cray_cscs
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howto:compile_on_cray_cscs [2023/01/23 17:38] – [2. Build CP2K production binary] krack | howto:compile_on_cray_cscs [2023/01/25 08:29] (current) – Add make step krack | ||
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for the latest CP2K release version. A [[https:// | for the latest CP2K release version. A [[https:// | ||
- | ==== 2. Build CP2K production binary | + | ==== 2. Build CP2K toolchain |
Change to the cp2k folder | Change to the cp2k folder | ||
Line 29: | Line 29: | ||
source arch/ | source arch/ | ||
</ | </ | ||
- | This will load the required module environment, build the CP2K toolchain, and compile (make) the CP2K binary for the selected partition. The CP2K binary '' | + | This will load the required module environment |
+ | |||
+ | ==== 3. Build CP2K production binary ==== | ||
+ | |||
+ | Run one of the suggested '' | ||
+ | < | ||
+ | make -j ARCH=CRAY-XC40-gnu VERSION=psmp | ||
+ | </ | ||
+ | This will compile (make) the CP2K binary for the selected partition. The CP2K binary '' | ||
**Enjoy CP2K on CRAY!** | **Enjoy CP2K on CRAY!** |
howto/compile_on_cray_cscs.txt · Last modified: 2023/01/25 08:29 by krack