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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 you may download the source code from the [https://www.vasp.at/ VASP website] and build custom versions. See [[Installing software in your home directory]] and [http://cms.mpi.univie.ac.at/wiki/index.php/Installing_VASP Installing VASP].
=== Building VASP on Narval === <!--T:30-->


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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> for VASP-5.4.4
<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> for VASP-6.1.2
<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> for VASP-6.2.1
<code> eb VASP-6.2.1-iimpi-2020a.eb --sourcepath=SOURCEPATH </code>


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Run one of the above commands from the directory where the VASP source files are located. 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. 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]].
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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