PI Name: John Low
PI Institution: argonne-national-laboratory
Collaborating ANL Division: computational-science-cps

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”,