@InProceedings{clark:molecular,
  author = {Terry W. Clark and L. Ridgway Scott and Stanislaw Wlodek and J.
  Andrew McCammon},
  title = {{I/O} Limitations in Parallel Molecular Dynamics},
  booktitle = {Proceedings of Supercomputing '95},
  year = {1995},
  publisher = {IEEE Computer Society Press},
  address = {San Diego, CA},
  URL = {http://www.supercomp.org/sc95/proceedings/524_TCLA/SC95.HTM},
  keywords = {parallel I/O application, molecular dynamics, pario-bib},
  abstract = {We discuss data production rates and their impact on the
  performance of scientific applications using parallel computers. On one hand,
  too high rates of data production can be overwhelming, exceeding logistical
  capacities for transfer, storage and analysis. On the other hand, the rate
  limiting step in a computationally-based study should be the human-guided
  analysis, not the calculation. We present performance data for a biomolecular
  simulation of the enzyme, acetylcholinesterase, which uses the parallel
  molecular dynamics program EulerGROMOS. The actual production rates are
  compared against a typical time frame for results analysis where we show that
  the rate limiting step is the simulation, and that to overcome this will
  require improved output rates.},
  comment = {Note proceedings only on CD-ROM or WWW.}
}