Description
I have prior experience in queuing jobs on supercomputers, but I am trying to learn how to better utilize HPCs and possibly adopt GPU acceleration. I am also new to the ACCESS ecosystem. My local computer is resource-constrained, so I am also trying to learn how to debug or test code more intelligently to aid the transition from lab computers to HPC.
I currently am using CP2K software package on PSC Bridges-2 resources. My initial benchmark is using simulations that I can try on my local computer, but I plan to scale up to simulations that will be tougher to debug on my local computer.