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== Building VASP yourself == <!--T:12--> | == Building VASP yourself == <!--T:12--> | ||
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If you are licensed to use VASP and have access to VASP source code, you can install VASP in your home directory using one of the following [[EasyBuild]] commands. | If you are licensed to use VASP and have access to VASP source code, you can install VASP-5.4.4, 6.1.2 and 6.2.1 in your home directory on all clusters operated by computecanada except niagara using one of the following [[EasyBuild]] commands respectively.This will build VASP with the same two extensions (Transition State Tools and VASPsol) that it is prebuilt with on Cedar and Graham. | ||
This will build VASP with the same two extensions (Transition State Tools and VASPsol) that it is prebuilt with on Cedar and Graham. | |||
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<code> eb VASP-5.4.4-iimpi-2020a.eb </code> | <code> eb VASP-5.4.4-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
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<code> eb VASP-6.1.2-iimpi-2020a.eb </code> | <code> eb VASP-6.1.2-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
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<code> eb VASP-6.2.1-iimpi-2020a.eb </code> | <code> eb VASP-6.2.1-iimpi-2020a.eb --sourcepath=SOURCEPATH </code> | ||
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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, and 6.2.1 are <code> vasp.5.4.4.pl2.tgz </code>, <code> vasp.6.1.2_patched.tgz </code> and <code> vasp.6.2.1.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]]. | |||
Alternatively to build a custom versions of vasp please see [[Installing software in your home directory]] and [http://cms.mpi.univie.ac.at/wiki/index.php/Installing_VASP Installing VASP]. | |||
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[[Category:Software]] | [[Category:Software]] | ||
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