VASP: Difference between revisions

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== Licensing == <!--T:2-->
== Licensing == <!--T:2-->
VASP is a commercial software which can only be licensed to groups that are hired by a single legal entity, which is incompatible with the way the Compute Canada Federation operates. We have tried to negotiate an agreement with the licensor which would let us install the software on our infrastructure, but without success. For that reason, VASP is not available on our infrastructure, and users must install the software themselves. Please read the terms of your own license, as you are likely subject to the same restriction. This limits the support we are allowed to offer to users who need help installing the software. Please see below for instructions on installing the software.  
VASP is a commercial software which can only be licensed to groups that are hired by a single legal entity, which is incompatible with the way we operate. We have tried to negotiate an agreement with the licensor which would let us install the software on our infrastructure, but without success. For that reason, VASP is not available on our infrastructure, and users must install the software themselves. Please read the terms of your own license, as you are likely subject to the same restriction. This limits the support we are allowed to offer to users who need help installing the software. Please see below for instructions on installing the software.  


=== Site exceptions === <!--T:37-->
=== Site exceptions === <!--T:37-->
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If you are licensed for version 5 you may also use version 4, but a version 4 license does not permit you to use version 5. The same for version 6, if you are licensed for version 6 you may also use version 5 and 4.
If you are licensed for version 5 you may also use version 4, but a version 4 license does not permit you to use version 5. The same for version 6, if you are licensed for version 6 you may also use versions 5 and 4.


== Using prebuilt VASP == <!--T:6-->
== Using prebuilt VASP == <!--T:6-->
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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, 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]].
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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