As I am exploring material simulations one really hard truth that I have realized is that my gaming laptop is not at all going to cut it for my research work. Currently I am trying to find the absorption spectra of a quantum dot which has 45 atoms in total and I am using the PBE functional (so not that much accuracy). The geometrical optimization converged after 10-12 hours by running the executable for absorption spectra (
turbo_lanczos.x) did not go that well. The computation ran for 23 hours after which my laptop gave out.
So I am looking for clusters which do not burn a big hole in my pocket. AWS and GCS came first to my mind. Although I found a tutorial for running on AWS I am not sure how to know how many cores, nodes, RAM or instances I need. I was also not able to find any such documentation for Google Cloud.
Could you guys help me with some guidance?