Exascale computingExascale computing refers to computing systems capable of calculating at least "1018 IEEE 754 Double Precision (64-bit) operations (multiplications and/or additions) per second (exaFLOPS)"; it is a measure of supercomputer performance. Exascale computing is a significant achievement in computer engineering: primarily, it allows improved scientific applications and better prediction accuracy in domains such as weather forecasting, climate modeling and personalised medicine.
Frontier (supercomputer)Hewlett Packard Enterprise Frontier, or OLCF-5, is the world's first and fastest exascale supercomputer, hosted at the Oak Ridge Leadership Computing Facility (OLCF) in Tennessee, United States and first operational in 2022. It is based on the Cray EX and is the successor to Summit (OLCF-4). , Frontier is the world's fastest supercomputer. Frontier achieved an Rmax of 1.102 exaFLOPS, which is 1.102 quintillion operations per second, using AMD CPUs and GPUs. Measured at 62.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Fugaku (supercomputer)Fugaku 富岳 is a petascale supercomputer at the Riken Center for Computational Science in Kobe, Japan. It started development in 2014 as the successor to the K computer and made its debut in 2020. It is named after an alternative name for Mount Fuji. It became the fastest supercomputer in the world in the June 2020 TOP500 list as well as becoming the first ARM architecture-based computer to achieve this. At this time it also achieved 1.42 exaFLOPS using the mixed fp16/fp64 precision HPL-AI benchmark.
SupercomputerA supercomputer is a computer with a high level of performance as compared to a general-purpose computer. The performance of a supercomputer is commonly measured in floating-point operations per second (FLOPS) instead of million instructions per second (MIPS). Since 2017, there have existed supercomputers which can perform over 1017 FLOPS (a hundred quadrillion FLOPS, 100 petaFLOPS or 100 PFLOPS). For comparison, a desktop computer has performance in the range of hundreds of gigaFLOPS (1011) to tens of teraFLOPS (1013).
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
History of supercomputingThe term supercomputing arose in the late 1920s in the United States in response to the IBM tabulators at Columbia University. The CDC 6600, released in 1964, is sometimes considered the first supercomputer. However, some earlier computers were considered supercomputers for their day such as the 1954 IBM NORC in the 1950s, and in the early 1960s, the UNIVAC LARC (1960), the IBM 7030 Stretch (1962), and the Manchester Atlas (1962), all of which were of comparable power.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
TOP500The TOP500 project ranks and details the 500 most powerful non-distributed computer systems in the world. The project was started in 1993 and publishes an updated list of the supercomputers twice a year. The first of these updates always coincides with the International Supercomputing Conference in June, and the second is presented at the ACM/IEEE Supercomputing Conference in November.
CrayCray Inc., a subsidiary of Hewlett Packard Enterprise, is an American supercomputer manufacturer headquartered in Seattle, Washington. It also manufactures systems for data storage and analytics. Several Cray supercomputer systems are listed in the TOP500, which ranks the most powerful supercomputers in the world. Cray manufactures its products in part in Chippewa Falls, Wisconsin, where its founder, Seymour Cray, was born and raised.
Quantum computingA quantum computer is a computer that exploits quantum mechanical phenomena. At small scales, physical matter exhibits properties of both particles and waves, and quantum computing leverages this behavior, specifically quantum superposition and entanglement, using specialized hardware that supports the preparation and manipulation of quantum states. Classical physics cannot explain the operation of these quantum devices, and a scalable quantum computer could perform some calculations exponentially faster than any modern "classical" computer.
Microscopic scaleThe microscopic scale () is the scale of objects and events smaller than those that can easily be seen by the naked eye, requiring a lens or microscope to see them clearly. In physics, the microscopic scale is sometimes regarded as the scale between the macroscopic scale and the quantum scale. Microscopic units and measurements are used to classify and describe very small objects. One common microscopic length scale unit is the micrometre (also called a micron) (symbol: μm), which is one millionth of a metre.
Macroscopic scaleThe macroscopic scale is the length scale on which objects or phenomena are large enough to be visible with the naked eye, without magnifying optical instruments. It is the opposite of microscopic. When applied to physical phenomena and bodies, the macroscopic scale describes things as a person can directly perceive them, without the aid of magnifying devices. This is in contrast to observations (microscopy) or theories (microphysics, statistical physics) of objects of geometric lengths smaller than perhaps some hundreds of micrometers.
Biological systemA biological system is a complex network which connects several biologically relevant entities. Biological organization spans several scales and are determined based different structures depending on what the system is. Examples of biological systems at the macro scale are populations of organisms. On the organ and tissue scale in mammals and other animals, examples include the circulatory system, the respiratory system, and the nervous system.
Thermodynamic limitIn statistical mechanics, the thermodynamic limit or macroscopic limit, of a system is the limit for a large number N of particles (e.g., atoms or molecules) where the volume is taken to grow in proportion with the number of particles. The thermodynamic limit is defined as the limit of a system with a large volume, with the particle density held fixed. In this limit, macroscopic thermodynamics is valid.
