CASTEP

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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