In this paper we report our work on a SM-MIMD architecture clustered as four SMP machines of the MPI version of the GROMACS V1.5.1. We used a cluster of Digital AS4100 interconnected with Memory Channel and Digital MPI V1.4 as hardware testbed. We developed a new threaded version of MPI GROMACS and it permitted us to measure perfomance and scalability of the new code in real MD simulation runs. The new code open a way to further improve the MD simulations to date giving a way to estimate its scalability on M-SMP clustered machine and similar parallel architectures.
Chillemi, G., N., S. (1998). Molecular dynamics using p-threads. In Sloot P., Bubak M., Hertzberger B. (eds) High-Performance Computing and Networking. HPCN-Europe 1998 (pp. 875-877). Springer [10.1007/BFb0037218].
Molecular dynamics using p-threads
CHILLEMI G;
1998-01-01
Abstract
In this paper we report our work on a SM-MIMD architecture clustered as four SMP machines of the MPI version of the GROMACS V1.5.1. We used a cluster of Digital AS4100 interconnected with Memory Channel and Digital MPI V1.4 as hardware testbed. We developed a new threaded version of MPI GROMACS and it permitted us to measure perfomance and scalability of the new code in real MD simulation runs. The new code open a way to further improve the MD simulations to date giving a way to estimate its scalability on M-SMP clustered machine and similar parallel architectures.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
