𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Software news and updates

✍ Scribed by Fokke Dijkstra; Joop H. van Lenthe

Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
315 KB
Volume
22
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

A parallel version of the valence bond program TURTLE has been developed. In this version the calculation of matrix elements is distributed over the processors. The implementation has been done using the message‐passing interface (MPI), and is, therefore, portable. The parallel version of the program is shown to be quite efficient with a speed‐up of 55 at 64 processors. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 665–672, 2001

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