So if I have to consider the basic need for the calculations, how much should I keep in mind for the space as a starter? Just for the general idea for next few months for calculations. Since I don’t know exactly which way my computational calculations will go after few month’s. — epsilon02fft yesterday

The good news is, you can have Ubuntu on a Windows machine as WSL2, which is much more convenient than a dual boot. What do you mean by "calculation"? If you are talking about checking input on your laptop before submitting to a supercomputer, you can generally do it on whatever OS. If you would like to develop or test code, Linux systems (almost whichever Linux you like) are recommended. If you want to do heavy number crunching, the bottleneck is most probably your computer's hardware, not your OS. — Greg yesterday

@Greg I would recommend against using WSL for calculations. WSL will be slower than dual boot linux, especially if disk I/O is involved. And epsilon02fft, which softwares are you using for DFT calculations? — Shoubhik R Maiti yesterday

Thank you all for your comments. It was helpful. I am glad to find people here with whom I can ask questions on my topics and get useful replies. — epsilon02fft 23 hours ago

@ShoubhikRMaiti as I have started a week ago for practising. Quantum espresso. I wanted to have a proper setup going further. — epsilon02fft 21 hours ago

Well Quantum Espresso has a windows version but it doesn't support GPU IIRC. So if you want GPU acceleration you should probably switch to linux. There was a discussion about that on this site, but I can't find the post right now. — Shoubhik R Maiti 15 hours ago