[CP2K-user] [CP2K:17064] Re: Time requirement to conduct a simple simulation

[Bidesh M Kirtania]

Ok. I think I will come back and ask after I have a clearly specified 
problem statement. Thank you for your advice to run some examples and 
understand the basics first.

On Monday, 30 May 2022 at 17:36:07 UTC+5:30 mattwa... at gmail.com wrote:

> 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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