Can I ask a little more detail on the hardware for Molflow+?
I couldn’t find (I looked only on the forum… not manuals), but any suggestion for hardware to run Molflow, CPU x GPU? Intel/AMD optimized? More cores? more memory?
Yes, I understand we have hardware available on market, just to learn if any specific detail could help on the choice of hardware.
as the initial idea for Molflow was to deliver an application for many platforms, there hasn’t been any development that was targeted to optimize towards a particular setof hardware. Recently we investigated the possibility for a GPU accelerated simulation kernel with Nvidia’s RTX GPUs. Due to lack of sufficient precision and possibilities to have physically coherent simulations, this is a feature that is not targeted for a public audience anytime soon.
Depending on your own test cases, that you are trying to simulate, I’d propose a machine with sufficient memory, as this will allow you to simulate geometries from large STL files targeted with rather fine-grained results in particular for time-dependent simulations. It will make life easier, but there are always workarounds. If you’re getting a new machine I’d recommend 32GB or rather 64GB for a good workstation. Concerning a CPU, Molflow scales perfectly with the amount of cores. In general look for hardware that delivers good multi-core performance (e.g. Intel i9 , or Xeon/AMD Epyc for workstation hardware).