This paper describes the parallelization of a commercial molecular dynamics simulation code, GROMOS96, on a SCI (Scalable Coherent Interface) interconnected PC cluster. The underly...
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
We present the Data Parallel Fortran (DPF) benchmark suite, a set of data parallel Fortran codes forevaluatingdata parallel compilers appropriatefor any target parallel architectu...
Y. Charlie Hu, S. Lennart Johnsson, Dimitris Kehag...
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. Thes...
Sadaf R. Alam, Pratul K. Agarwal, Scott S. Hampton...