Molpro Benchmarks of AMD and Intel processors to support future purchase of servers at LCRC

PI Name John Low
PI Institution Argonne National Laboratory
Collaborating ANL Division Computational Science (CPS)
Project Description

We are interested in comparing the performance of Molpro on recent AMD and Intel processors to support the purchase of future servers at LCRC.

The purchaser is primarily interested in the performance of Molpro.

I plan to run some VASP and LAMMPS benchmarks as well.

Testbed

EPYC, Skylake, CPL “Cooper Lake”