I am planning to perform molecular dynamics (MD) simulations of surfactant systems as part of my research and am exploring options for free access to high-performance computing (HPC) resources.
If you could recommend HPC programs, academic gateways, or platforms that provide free allocations for researchers—or if there are research teams open to collaboration—I would be very grateful. Any guidance, hints, or references to application procedures would be extremely helpful.
Thank you.
Some countries operate HPC centers for use by universities. Ask your advisor about that. A proposal may be needed.
Alternatively, you could talk to your university's IT center about surplused equipment that could be used to build a Beowulf Cluster (https://www.linux.com/training-tutorials/building-beowulf-cluster-just-13-steps). The computers involved need not be the same. Very useful clusters can be built using very dissimilar machines.
The use of such systems assumes the computational problem can be broken up into independent sub-problems whose results are then merged for a final solution.
Another approach to gaining access to HPC-like systems are commercial services such as DigitalOcean (https://m.do.co/c/0023596ca262). This is the service I use when I want various users to have access. But before going that route, have a good idea of what resources you are going to need and develop a cost estimate. There may be a funding opportunity to which you can propose. Runs on your local equipment can help you develop a sense of resources required for your full runs. Your university's IT department can help you with that.
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