Re:HPC Systems Special Offer: Two A64FX Nodes in a 2U for $40k
by sonium on Wednesday August 26, 2020 @11:25AM
(#24283286)
Quantum chemistry software benefits from 'stupid-high bandwith RAM'. It says Gaussian supports this hardware. I remember when running VASP (another popular quantum chemistry software) we were not even using all the cores on a node, because the limited performance of the RAM interface.
The basic operation they perform is fast fourier transform on large (number of electrons of the system ^ 2) matrices.
The basic operation they perform is fast fourier transform on large (number of electrons of the system ^ 2) matrices.