Workstation for Computational Science (Ryzen Threadripper specification)

We received a consultation from a customer about a workstation for computational science.
The main applications are molecular dynamics simulation (LAMMPS, OCTA) and quantum chemistry calculation (Gaussian).
The budget is about 100 million to 120 million yen.

Case No.PC-8617AFor comparison with, we have prepared an estimate with Ryzen Threadripper specifications.
The advantage is that the price per core is low and the operating clock is high.
In addition, because it supports PCI-E Gen4, the bandwidth to the GPU is wider than the Xeon specification.

On the other hand, the Xeon specification is more advantageous as the memory bandwidth per core.
In addition, there are disadvantages such as not supporting AVX512 for vector calculation (supporting up to AVX256), not supporting optimization of Intel compilers and libraries, and not supporting memory expansion.

If the number of cores x operating clock is simply linked to the processing capacity, it can be said that the configuration of this case will be faster in most cases, but the factors related to the disadvantages mentioned above are among the processes that affect the speed. Please note that if it is included, the superiority may be reversed compared to the Xeon specifications.

【Main Specifications】