CCL: The new AMD EPYC CPUs for comp chem in general and quantum chem in particular



 Sent to CCL by: Mikael Johansson [mikael.johansson]~[iki.fi]
 Dear All,
 
We are about to procure a new HPC-server to the lab, and we got some rather competitive offers based on the new AMD EPYC CPUs, for an SMP machine with ~64 cores.
 
Googling gives the impression that AMD is back in the HPC-game, for example NAMD seems to run very well:
 https://www.anandtech.com/show/11544/intel-skylake-ep-vs-amd-epyc-7000-cpu-battle-of-the-decade/21
 
If anyone has some more experience, or has found other benchmarks out there, I would be very happy to hear about it!
 Cheers,
     Mikael J.
 --
 Dr. Mikael Johansson
 Academy Researcher
 Department of Chemistry
 University of Helsinki
 http://www.iki.fi/~mpjohans