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VASP: Difference between revisions
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=== Site exceptions === <!--T:37--> | === Site exceptions === <!--T:37--> | ||
Simon Fraser University and the University of | Simon Fraser University, the University of Waterloo, and the University of Toronto own [[Cedar]], [[Graham]], and [[Niagara]], respectively, and have a license with VASP. Some of their employees are therefore allowed to access and install specific versions of VASP on those clusters and provide limited support. | ||
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If you wish to use the prebuilt VASP binaries on [[Cedar]] and/or [[ | If you wish to use the prebuilt VASP binaries on [[Cedar]], [[Graham]] and/or [[Niagara]], you must contact [[Technical support]] requesting access to VASP with the following information: | ||
* Include license holder (your PI) information: | * Include license holder (your PI) information: | ||
** Name | ** Name | ||
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Prebuilt VASP binary files have been installed only on Cedar and | Prebuilt VASP binary files have been installed only on Cedar, Graham, and Niagara. According to our license agreement we are not allowed to install VASP centrally on other computer clusters. However, users may want to install VASP on their own home directory. Please have a look at [[VASP#Building VASP yourself|Building VASP yourself]]. To load prebuilt VASP on Graham and Cedar, please do the following: | ||
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module load intel/2020.1.217 intelmpi/2019.7.217 vasp/5.4.4 | module load intel/2020.1.217 intelmpi/2019.7.217 vasp/5.4.4 | ||
See [[Using modules]] for more information. | See [[Using modules]] for more information. | ||
To use VASP on Niagara, please see [https://docs.scinet.utoronto.ca/index.php/VASP the SciNet VASP wiki page]. Note that Niagara nodes do not have GPUs, so gpu versions are not available on that system. | |||
=== Pseudopotential files === <!--T:8--> | === Pseudopotential files === <!--T:8--> | ||