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VASP: Difference between revisions
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*The above job script requests four CPU cores and 4096MB memory (4x1024MB). | *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]] to know what to enter there. | *<ACCOUNT> is a Slurm account name; see [[Running_jobs#Accounts_and_projects|Accounts and projects]] to know what to enter there. | ||
*<VERSION> is the number for the VASP version you want to use: 4.6, 5.4.1, 5.4.4 or 6.1.0. | |||
*Use module spider vasp/<VERSION> to see how you can change this particular version. | |||
*<VASP> is the name of the executable. Refer to section ''Executable programs'' above for the executables you can select for each version. | *<VASP> is the name of the executable. Refer to section ''Executable programs'' above for the executables you can select for each version. | ||