The WY representation for products of householder matrices
SIAM Journal on Scientific and Statistical Computing - Papers from the Second Conference on Parallel Processing for Scientific Computin
An extended set of FORTRAN basic linear algebra subprograms
ACM Transactions on Mathematical Software (TOMS)
A storage-efficient WY representation for products of householder transformations
SIAM Journal on Scientific and Statistical Computing
A set of level 3 basic linear algebra subprograms
ACM Transactions on Mathematical Software (TOMS)
ScaLAPACK user's guide
MPI: A Message-Passing Interface Standard
MPI: A Message-Passing Interface Standard
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Lyapunov vectors and exponents are of great importance for understanding the dynamics of many-particle systems. We present results of performance tests on different processor architectures of several parallel implementations for the calculation of all Lyapunov characteristics. For the most time consuming reorthogonalization steps, which have to be combined with molecular dynamics simulations, we tested different parallel versions of the Gram-Schmidt algorithm and of QR-decomposition. The latter gave the best results with respect to runtime and stability. For large systems the blockwise parallel Gram-Schmidt algorithm yields comparable runtime results.