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Build recipe for the MIC version of GPAW including all dependencies

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mlouhivu/gpaw-mic-install-pack

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Description

Build recipe for the MIC version of GPAW (incl. all dependencies) that is aimed at offloading to Knights Corner (KNC) co-processors: https://gitlab.com/gpaw/gpaw/tree/mic

Install

Go to 'install/' directory and follow the instructions in 'kommand', 'kommand-pymic', and 'kommand-gpaw' to install the full stack needed by GPAW for MICs. In principle, the only thing you need to edit is the target location for the installation (variable $base) and any module commands (or similar) needed to load the compile environment on your system.

In practice, you will also want to take a look at the configuration options, patches etc. in the install/setup/ directory and modify as needed to find correct libraries on your system and to select appropriate compile flags.

Test case

In the 'test-case/' directory are two sets of input files that can be used to test the installation. Just edit the job script (job.sh) to point to the install location of your stack.

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Build recipe for the MIC version of GPAW including all dependencies

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