Computer ScienceMathematics

ScaLAPACK: A Portable Linear Algebra Library for Distributed Memory Computers - Design Issues and Performance

Jaeyoung Choi, J. Demmel, Inderjit S. Dhillon, J. Dongarra, S. Ostrouchov, A. Petitet, K. Stanley, D. Walker, R. C. Whaley

1995.9.2COMPUTER PHYSICS COMMUNICATIONS

DOI: 10.1007/3-540-60902-4_12

tlooto Summary

A parallel message-passing implementation of a molecular dynamics program that is useful for bio(macro)molecules in aqueous environment is described and can handle rectangular periodic boundary conditions with temperature and pressure scaling.

Abstract

Abstract is not available.

Citation format

CHOI, Jaeyoung, et al. Scalapack: A portable linear algebra library for distributed memory computers - design issues and performance. COMPUTER PHYSICS COMMUNICATIONS, 1995, 91: 95–106.