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VASP: Difference between revisions
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If you need a version of VASP that does not appear here, you can either build it yourself (see below) or [[Technical support | write to us]] and ask that it be built and installed. | If you need a version of VASP that does not appear here, you can either build it yourself (see below) or [[Technical support | write to us]] and ask that it be built and installed. | ||
== Building VASP on narval == | |||
If you are licensed to use VASP and have access to VASP source code you can install VASP in your home directory in the same way as it has been installed on cedar and graham, e.g., with two extension, Transition State Tools and VASPsol by running one of the following commands | |||
<code> eb VASP-5.4.4-iimpi-2020a.eb </code> for VASP-5.4.4 | |||
<code> eb VASP-6.1.2-iimpi-2020a.eb </code> for VASP-6.1.2 | |||
<code> eb VASP-6.2.1-iimpi-2020a.eb </code> for VASP-6.2.1 | |||
The above commands should be run from the directory where 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 those commands takes some time. Once it is done you will be able to load and run vasp using module command exactly as it has been explained in [https://docs.computecanada.ca/wiki/VASP#Using_prebuilt_VASP Using prebuilt VASP] | |||
== Vasp-GPU == <!--T:25--> | == Vasp-GPU == <!--T:25--> | ||