Hi all
Is there any facility that allows free usage of Gromacs on their GPU?
Thank you.
Hi,
I am not aware of any such facility. I think some commercial services may offer a free trial period. Apart from that, I think you will have to either pay for your resource usage directly or apply for allocations through national or international calls.
Hi Thank you for your response. Can you please suggest any commercial services? I saw amazon but I don’t know which one can be used for gromacs.
Both Amazon and Google would probably work for you. I haven’t used either for a long time, so I don’t have any specific advice. Just a brief look at the instances they provide, I think Amazon EC2 G4 Instances — Amazon Web Services (AWS) seems quite good, but there are many alternatives. Google also has quite a few options GPU pricing | Compute Engine: Virtual Machines (VMs) | Google Cloud. But it can be quite expensive if you plan to run many simulations.
For the commercial services, you can by looking at the following paper: https://pubs.acs.org/doi/10.1021/acs.jcim.2c00044 by @vgapsys and colleagues. New hardware have appeared since then, but, overall, the paper gives a good estimation of challenges and costs involved (at least on AWS).