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README.md: Update installation docs and binary paths (#5438)
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@ -37,11 +37,14 @@ help on git, see [Git Tips & Tricks](https://github.com/cp2k/cp2k/wiki/Git-Tips-
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## Install CP2K
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The easiest way to build CP2K with all of its dependencies is as a
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[Docker container](./tools/docker/README.md).
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CP2K manual provides installation instructions for below available methods:
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- [Build from Source](https://manual.cp2k.org/trunk/getting-started/build-from-source.html)
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- [Build with Spack](https://manual.cp2k.org/trunk/getting-started/build-with-spack.html)
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- [Install from Distribution](https://manual.cp2k.org/trunk/getting-started/distributions.html)
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For building CP2K from scratch, including GPU acceleration for NVIDIA (CUDA), AMD (HIP/ROCm), or
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OpenCL devices, see the [installation instructions](./INSTALL.md).
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OpenCL devices, also see the [installation instructions](./INSTALL.md).
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## Links
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@ -9,7 +9,7 @@ postfix=""
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# used ranks, can be any value, by default the number of physical cores on the node
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ranks=$(lscpu | awk '/^Core\(s\) per socket:/ {cores=$NF}; /^Socket\(s\):/ {sockets=$NF}; END{print cores*sockets}')
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# adjust command for testing as needed
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command="mpirun -np $ranks ../../../exe/local/cp2k.popt"
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command="mpirun -np $ranks ../../../install/bin/cp2k.popt"
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# iterations used for testing (best value retained for benchmark result)
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maxiter=3
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@ -21,7 +21,7 @@ To build a local version of the manual perform the following steps:
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1. (optional) Build a CP2K binary and use it to generate the `cp2k_input.xml` file:
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```
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../exe/local/cp2k.psmp --xml
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../install/bin/cp2k.psmp --xml
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```
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1. (optional) Generate Markdown pages from the `cp2k_input.xml` file:
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