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Because these two situations need different setup steps, we will describe them independently below. We recommend the first possibility, i.e., running AiiDA on a local system and submitting calculations to PC2 HPC system because a local setup gives you more configuration freedom and also the possibility to, at the same time, submit also to other HPC systems. However, if you donÄt have a suitable local computer we include here also a guide for the second possibility of running AiIDA completely on PC2 HPC systems. If you are unsure what the best way for you is, please contact us at pc2-support@uni-paderborn.de.
The two setups have individual advantages and disadvantages:
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