Numerical Materials Simulator Unit|AESD

Division Overview

Numerical Materials Simulator Unit

Overview

The prediction of materials properties with a large-scale numerical simulation is one of absolutely essential methods for the materials research in a comprehensive way.
As the unit, we provide stable computational resources by way of the operation of the “Numerical Materials Simulator”, which can offer the ultra-high-speed and large-scale numerical simulation.
In addition, we take the initiative in facility services to offer research support service, which gives an advantage on new materials research in NIMS.

Facilities

Specification of Numerical Materials Simulator

The "Dell PowerEdge C6620" is the highly dense cluster-type HPC system. Its CPUs are known as Xeon Platinum 8592+ (with 64 cores, 1.9 GHz), the high-end model in the most recent possessor, the "Intel Emerald Rapids", designed with the 10nm process. The supercomputer is equipped with two CPUs in one node area and has 1,600 computational nodes by operating on a virtual-node basis, which a physical node is divided by four.
It has the theoretical peak performance of 3.11 PFLOPS through the use of the DDR5 Memory of 200 TiB, and the InfiniBand NDR400 (FatTree) for the network.
And also, it has contributed to producing superior world-leading outcomes by way of the theoretical calculations in the wide range of the field of materials research.
※It was ranked No.1 in the world for execution efficiency among the World's TOP500 Supercomputers (as of June, 2026).

Numerical Materials Simulator Unit

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