IBM's ZRL has developed over the years a deep and broad competence in the field
of parallel and distributed computing. Our internal work on scientific
and technical computing is used as a test bed and driver for innovative parallel
alghorithms and implementations on diverse computer hardware ranging from general-use
high-end supercomputers (p-Series clusters) and Linux clusters (x-Series) to novel
computer architectures such as BlueGene-L.
Our key competencies are:
•
distributed memory parallelization using MPI,
•
shared memory parallelization using OpenMP and direct threading,
The GROMOS classical
MD program has been ported and parallelized (shared memory parallelization) for
POWER-based SMP servers. The code shows very good scaling on single p90 frames,
with 80% parallel efficiency going from 1 to 32 processors.
