howto:compile_on_cray_cscs
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howto:compile_on_cray_cscs [2023/01/23 17:01] – krack | howto:compile_on_cray_cscs [2023/01/23 17:38] – [2. Build CP2K production binary] krack | ||
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====== Compile CP2K on CRAY XC40/50 at CSCS ====== | ====== Compile CP2K on CRAY XC40/50 at CSCS ====== | ||
- | This page describes how CP2K can be installed on CRAY XC40 and XC50 systems as they are provided by the Swiss National Supercomputing Centre [[https:// | + | This page describes how CP2K can be installed on the CRAY XC40 and XC50 systems as they are provided by the Swiss National Supercomputing Centre [[https:// |
==== 1. Download CP2K ==== | ==== 1. Download CP2K ==== | ||
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git clone --recursive https:// | git clone --recursive https:// | ||
</ | </ | ||
- | to download the current CP2K trunk version or run | + | in your project folder |
< | < | ||
git clone --recursive -b support/ | git clone --recursive -b support/ | ||
</ | </ | ||
- | for the latest release version. | + | for the latest |
==== 2. Build CP2K production binary ==== | ==== 2. Build CP2K production binary ==== | ||
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cd cp2k | cd cp2k | ||
</ | </ | ||
- | and source the CP2K arch file for the desired partition, either for the multi-core partition (CRAY XC40, daint-mc) | + | and source the CP2K arch file for the desired partition, either for the multi-core partition (daint-mc, CRAY XC40) |
< | < | ||
source arch/ | source arch/ | ||
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or the GPU partition (CRAY XC50, daint-gpu) | or the GPU partition (CRAY XC50, daint-gpu) | ||
< | < | ||
- | source arch/CRAY-XC40-gnu.psmp | + | source arch/CRAY-XC50-gnu.psmp |
</ | </ | ||
- | This will load the required module environment, | + | This will load the required module environment, |
**Enjoy CP2K on CRAY!** | **Enjoy CP2K on CRAY!** |
howto/compile_on_cray_cscs.txt · Last modified: 2023/01/25 08:29 by krack