As I am exploring material simulations one really hard truth that I have realized is that my gaming laptop is not at all gonna 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 PBE functional(so not that much accuracy). The geometrical optimization converged after 10-12 hours but 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(http://star.mit.edu/hpc/documentation/ec2scripts/) for running on AWS I am not sure how do I know how much cores, Nodes, RAM or instances do I need. On the other hand I can not find much information to do the same on google cloud.
Could you guys help me with some guidance.
How to run Quantum ESPRESSO on Google Cloud Services or Amazon Web Services
Parmeet Singh EP 066
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