✦ LIBER ✦

Molecular dynamics on parallel computers

✍ Scribed by K.M. Crenell

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 374 KB
Volume: 9
Category: Article
ISSN: 0263-7855
DOI: 10.1016/0263-7855(91)85012-n

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Order-N tight-binding molecular dynamics

Order-N tight-binding molecular dynamics on parallel computers

✍ Satoshi Itoh; Pablo Ordejón; Richard M. Martin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 995 KB

A recently proposed order-N method for tight-binding molecular dynamics is implemented on parallel machines. The Fortran code, written for the parallel computer CM-5, uses a general message passing library, being therefore highly portable. The main subjects of this implementation, which are matrix p

Car–Parrinello Molecular Dynamics on Mas

Car–Parrinello Molecular Dynamics on Massively Parallel Computers

✍ Jürg Hutter; Alessandro Curioni 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 79 KB

Molecular dynamics for very large system

Molecular dynamics for very large systems on massively parallel computers: The MPSim program

✍ Lim, Kian-Tat; Brunett, Sharon; Iotov, Mihail; McClurg, Richard B.; Vaidehi, Nag 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 377 KB 👁 1 views

We describe the implementation of the cell multipole method CMM in a Ž . Ž . complete molecular dynamics MD simulation program MPSim for massively parallel supercomputers. Tests are made of how the program scales with size Ž . Ž . linearly and with number of CPUs nearly linearly in applications invo

Molecular dynamics of a model polymer on

Molecular dynamics of a model polymer on a hypercube parallel computer

✍ J.B. Drake; A.K. Hudson; E. Johnson; D.W. Noid; G.A. Pfeffer; S. Thompson 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 600 KB

Vector and parallel algorithms for the m

Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared-memory computers

✍ John E. Mertz; Douglas J. Tobias; Charles L. Brooks III; U. C. Singh 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 797 KB

## Abstract A detailed description of vector/parallel algorithms for the molecular dynamics (MD) simulation of macromolecular systems on multiple processor, shared‐memory computers is presented. The algorithms encompass three computationally intensive portions of typical MD programs: (__1__) the ev

Development of a parallel molecular dyna

Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion

✍ Roccatano, D.; Bizzarri, R.; Chillemi, G.; Sanna, N.; Di Nola, A. 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 207 KB 👁 3 views

In recent years several implementations of molecular dynamics Ž . Ž . MD codes have been reported on multiple instruction multiple data MIMD machines. However, very few implementations of MD codes on single instruction Ž . multiple data SIMD machines have been reported. The difficulty in using pair