[gmx-users] Spec'ing for new machines (again!)

[Alex]

Hello all,

Hope you're staying safe & healthy! We are starting to spec new machines 
and our end goal is two machines, each featuring:

1. ~16-18 CPU cores w/hyperthreading

2. Four GPUs

3. ~256 gigs of RAM.

A very approximate allocation of money is ~$15-20K per unit, but we 
could of course buy more if each machine turns out to be significantly 
cheaper. All suggestions for CPUs and GPUs (esp. from Szilard) are 
welcome. We are somewhat open to AMD-based solutions, but wonder what 
the situation is with GPU acceleration, as so far we've been entirely 
Intel-based. Will it work with NVIDIA cards? Will we have to install AMD 
GPUs? Does current Gromacs perform well on AMD-based rigs?

Thank you!

Alex