CASTEP

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This article is a draft

This is not a complete article: This is a Draft, a work in progress that is intended to be published into an article, which may or may not be ready for inclusion in the main wiki. It should not necessarily be considered factual or authoritative.




Installing CASTEP 19.11

First, you must have the archive file that contains the installer; this file should be named CASTEP-19.11.tar.gz. Second, upload the CASTEP-19.11.tar.gz file to your /home folder on the cluster you intend to use. Then, run the command

[name@server ~]$ eb CASTEP-19.11-iomkl-2018.3.312.eb --sourcepath=$HOME --disable-enforce-checksums

Once this command has completed, log out from the cluster and log back in. You should then be able to load the module with

[name@server ~]$ module load castep