PC for numerical calculation with a total of 20 core CPUs using Gromacs

■ This is an article posted on June 2013, 11, so the content of the information may be out of date.

This is an example of a proposal / introduction as a PC for performing numerical calculations with the molecular dynamics simulation software Gromacs.

As a result of repeated meetings with customers, the CPU was equipped with two Xeon E5-2670v2 (2.5GHz 10 cores).There are 2 cores in total, but the operating clock is suppressed. We also considered installing GPGPU, but considering the budget and usage, we decided that it would be better to prioritize CPU performance improvement, so we decided not to install it.In addition, it was originally best to use 20 memories, but due to budget constraints, this time we have set it to 8GB, which is 8GB x 4 cards.