Machine for Gaussian

A customer inquired about a machine for using the quantum chemical calculation software Gaussian.
You want a machine that runs Gaussian and Gromacs at high speed, and the ideal specs are as follows.

CPU: Xeon Gold 6354 (18core 3.0GHz 205W) x2
Memory: 256GB
SSD: One for 960GB SATA x2 system and one for backup
GPU: NVIDIA RTX A6000x2
OS: Alma Linux 8.3

The specs you informed us would exceed the budget of 200 million yen, so we adjusted the number of GPUs and the number of CPU cores in the proposal to keep it within the budget.

Since Gromacs does not specify a specific GPU model, it can be used with the RTX A6000, but the other Gaussian 16 GPGPU does not officially support the RTX A6000. Gaussian 16 only supports GPGPU-only cards that support double-precision arithmetic, such as V100 and A100.
If the customer has information about the operation on the A6000, there is no problem, but if not, it may be better to reconsider the choice of GPU.

In addition, when changing the GPU to the supported A100, it is necessary to change the base configuration from the balance with the card specifications. If Gaussian 16 only utilizes CPU execution, the choice of GPU does not affect Gaussian 16 behavior.

【Main Specifications】