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VASP: Difference between revisions
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If you are licensed to use VASP and have access to VASP source code, you can install VASP-5.4.4, 6.1.2, 6.2.1 and 6.3.0 in your /home directory on all our clusters (except Niagara) using one of the following [[EasyBuild]] commands. The VASP build will be the same as the ones on Cedar and Graham, and will include the Transition State Tools and VASPsol extensions. | If you are licensed to use VASP and have access to VASP source code, you can install VASP-5.4.4, 6.1.2, 6.2.1 and 6.3.0 in your /home directory on all our clusters (except Niagara) using one of the following [[EasyBuild]] commands. The VASP build will be the same as the ones on Cedar and Graham, and will include the Transition State Tools and VASPsol extensions. | ||
For 2020 environment, <code> StdEnv/2020 </code> | |||
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<code> eb -f VASP-5.4.4-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | <code> eb -f VASP-5.4.4-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
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<code> eb -f VASP-6.3.0-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | <code> eb -f VASP-6.3.0-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
For 2023 environment, <code> StdEnv/2023 </code> | |||
<code> eb -f VASP-5.4.4-iofb-2023a.eb --sourcepath=SOURCEPATH </code> | |||
<code> eb -f VASP-6.4.2-iofb-2023a.eb --sourcepath=SOURCEPATH </code> | |||
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