[CP2K-user] [CP2K:17062] Re: Time requirement to conduct a simple simulation

[Matt Watkins]

Hello,
your question is really too wide to give a sensible answer. It depends how 
large the system is, is it in solution or solid state? What level of theory 
would you like to use?
You need to think these over and be clear on what you want to calculate 
with what  accuracy.
Perhaps on here you could then get an estimate of the resources you would 
need to run the calculations.
To get some ideas you could try running some examples and very simplified 
versions of your problem and get a feel for what is involved.
Matt
On Monday, 30 May 2022 at 07:35:53 UTC+1 bideshki... at gmail.com wrote:

> Hi guys,
>
> Hope all of you are doing good. I have a simple latest intel i7 processor 
> with 16 GB ram and  6 GB graphics of nVIDIA (GTX 1660 ti).
>
> I would like to run a DFT simulation for reaction pathways of a chemical 
> reaction under various conditions. 
> My question is how much time will it take to conduct such simulation  (if 
> its even possible to run such simulation in my system).
> Thank you
>
> Bidesh Kirtania
> Research Scholar
>

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