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VASP: Difference between revisions
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'' | '''Note:''' VASP is licensed to research groups, not to individuals or computer centers. Compute Canada does not have a general license to provide access to pre-installed VASP executables. However, an agreement has been signed by a representative of Simon Fraser University which allows the provision of VASP executables to registered research groups on [[Cedar]], and a separate agreement has been signed by a representative of Waterloo University which allows it on [[Graham]]. | ||
== Using pre-built VASP == <!--T:6--> | == Using pre-built VASP == <!--T:6--> | ||
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All pseudopotentials have been downloaded from the official VASP website and untarred. They are all located in <code> $EBROOTVASP/../pseudopotentials/ </code> | All pseudopotentials have been downloaded from the official VASP website and untarred. They are all located in <code> $EBROOTVASP/../pseudopotentials/ </code> | ||
=== | === Executable programs === <!--T:9--> | ||
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The above job script requests four CPU cores and 4096MB memory (4x1024MB). <ACCOUNT> is a Slurm account name; see [[Running_jobs#Accounts_and_projects|Accounts and projects]] if you don't know what to put there. <VERSION> is the VASP version that you would like to run, 4.6 or 5.4.1. <VASP> is the name of the executable. The above section "Executable" shows the various executables that you can choose for each version. | *The above job script requests four CPU cores and 4096MB memory (4x1024MB). | ||
*<ACCOUNT> is a Slurm account name; see [[Running_jobs#Accounts_and_projects|Accounts and projects]] if you don't know what to put there. | |||
*<VERSION> is the VASP version that you would like to run, 4.6 or 5.4.1. | |||
*<VASP> is the name of the executable. The above section "Executable programs" shows the various executables that you can choose for each version. | |||
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