I Hope you are all remaining reasonably sane during the lockdown. I would like some advice. I want to build a computer for molecular dynamics simulations (CFD capability would also be nice but not required). This is partly for fun, but It also has the potential to make my life a lot easier. I would like to build a machine that can blast through numeric calculations as its primary function.
My last computer build was a gaming rig I built about 5-6 years ago. But for this machine I basically want the best CPU possible with a budget machine built around it. The software packages I use run calculations in parallel, so for this application a high number of cores/threads is preferable to clock speed (or so I have been told).
No gaming. No rendering. Just a pure number cruncher. I have been looking at decent CPUs and some are stunningly cheap for what they are. Such as the AMD 1st Gen RYZEN Threadripper 1920X and AMD RYZEN 7 2700 8-Core. I basically would like to build a computer around a good multi-core processor. However, I obviously don’t want to waste money on things like a fancy graphics card etc. if it’s primarily a number cruncher.
Graphics card – Just how cheap can I go with my graphics card. Theoretically I shouldn’t need one? And I am planning on accessing this machine remotely most of the time anyway. Or will I miss out on so called “GPU Acceleration”?
Power Supply – What kind of power supply will I need? can I go quite low?
Thermals – What kind of cooling will in need, will a fan be ok? or would I need something more substantial?
Will there be any issues running Linux (CentOS 8 ) on this system?
If anyone has suggestions/experience building a rig like this and can give any advice, guidance or suggested resources showing similar builds I could look at would be greatly appreciated.
Sorry for the long post and thanks.