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ABINIT: Difference between revisions
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We do not maintain a collection of atomic data files for ABINIT. You should obtain the atomic data files you need for your calculation by following the links from the [https://www.abinit.org/downloads/atomic-data-files Atomic data files] page. | |||
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ABINIT calculations other than the most trivial tests or tutorial examples should be run via the job scheduler, [[Running jobs|Slurm]]. Below is an example job script for running ABINIT, which uses 64 CPU cores on two nodes for 48 hours, requiring 1024 MB of memory per core. You should be able to adapt this to your own needs and the particular | ABINIT calculations other than the most trivial tests or tutorial examples should be run via the job scheduler, [[Running jobs|Slurm]]. Below is an example job script for running ABINIT, which uses 64 CPU cores on two nodes for 48 hours, requiring 1024 MB of memory per core. You should be able to adapt this to your own needs and the particular cluster you are using. | ||
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