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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 | 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. | ||
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where SOURCEPATH is the path to the VASP source file. The source files for vasp-5.4.4, 6.1.2, | <code> eb -f VASP-6.3.0-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
where SOURCEPATH is the path to the VASP source file. The source files for vasp-5.4.4, 6.1.2, 6.2.1, and 6.3.0 are <code> vasp.5.4.4.pl2.tgz </code>, <code> vasp.6.1.2_patched.tgz </code>, <code> vasp.6.2.1.tgz </code> and <code> vasp.6.3.0.tgz </code> respectively. You may download the source code from the [https://www.vasp.at/ VASP website]. Running the command will take some time, perhaps more than an hour. Once it is done you will be able to load and run VASP using <code>module</code> commands just as explained above in [[VASP#Using_prebuilt_VASP|Using prebuilt VASP]]. | |||
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