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Nike Dattani - No Free Time
Nike Dattani - No Free Time
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As I am exploring material simulations one really hard truth that I have realized is that my gaming laptop is not at all gonnagoing to cut it for my research work. Currently I am trying to find the absorption spectra of a Quantum Dotquantum 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 butby running the executable for absorption spectra (turbo_lanczos.xturbo_lanczos.x) did not go that well. The computation ran for 23 hours after which my laptop gave out.
So

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/I found a tutorial) for running on AWS I am not sure how do I know how much cores, Nodes, RAM or instances do I needI am not sure how to know how many cores, nodes, RAM or instances I need. On the other hand I canwas also not find much informationable to do the same on google cloudfind any such documentation for Google Cloud.
Could

Could you guys help me with some guidance.?

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.

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?

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Parmeet Singh EP 066
Parmeet Singh EP 066
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How to run Quantum ESPRESSO on Google Cloud Services or Amazon Web Services

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.