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VASP 6 System requirements
Posted: Tue Feb 14, 2023 9:37 am
by krishnakumar_singh1
I would like to know the hardware,software requirements and operating system requirements for VASP 6.
Will it support for windows OS.
Is there any limitation on number of core processors in Vasp 6 verison. If yes,what is the maximum core can be used.
Re: VASP 6 System requirements
Posted: Tue Feb 14, 2023 5:14 pm
by jonathan_lahnsteiner2
Dear krishnakumar_singh1,
The required hardware to use vasp strongly depends on the type
of calculation you want to do. But in general you will need more memory and more cpu power
if you have more atoms in the POSCAR file. The number of kpoints in your KPOINTS fill will also
increase the cpu/memory requirement needed. These are just two examples.
In principle it is possible to run vasp in windows. The easiest way to do so is probably
to install a virtual linux environment as wsl
https://learn.microsoft.com/en-us/windows/wsl/install
After installing the wsl virtual linux environment you can use our install guides for ubuntu to install vasp.
On these two pages you should find all the relevant information needed for installation:
https://www.vasp.at/wiki/index.php/Inst ... VASP.6.X.X
https://www.vasp.at/wiki/index.php/Pers ... stallation
If you decide to install vasp in a linux operating system (what is recommended) you will
also find the relevant information in the links above.
I hope this answer is of help to you. Otherwise don't hesitate to contact us again.
All the best Jonathan