[Beowulf-announce] NAMD 2.2b1 Release Announcement

Jim Phillips jim at ks.uiuc.edu
Wed Sep 6 18:00:53 PDT 2000


NAMD is free software for parallel biomolecular MD calculations.  It uses
latency tolerant algorithms, making it ideal for Beowulf class machines.


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|                  NAMD 2.2b1 Release Announcement                   |
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                                                   September 5, 2000

The Theoretical Biophysics Group at the University of Illinois is
proud to announce the public release of a new version of NAMD, a
parallel, object-oriented molecular dynamics code designed for
high-performance simulation of large biomolecular systems.  NAMD is
distributed free of charge and includes source code.  NAMD development
is supported by the NIH National Center for Research Resources.

NAMD 2.2b1 has several advantages over NAMD 2.1:

- Parallelized particle mesh Ewald FFT and reciprocal space sum
  with demonstrated scaling to 128 processors for large systems.

- Release binaries contain FFTW (under special license) for
  better serial performance when using particle mesh Ewald.

- Much faster minimizer based on conjugate gradient method, also
  more stable when dealing with very bad initial contacts.

- Improved load balancer with demonstrated scaling to over
  1024 processors for large cutoff systems.

This is a beta release!  Please be on the lookout for bugs, memory
leaks, and instabilities of all kinds and report them immediately.

NAMD is available from http://www.ks.uiuc.edu/Research/namd/.

The Theoretical Biophysics group encourages NAMD users to be closely
involved in the development process through reporting bugs, contributing
fixes, periodical surveys and via other means.  Questions or comments
may be directed to namd at ks.uiuc.edu.

We are eager to hear from you, and thank you for using our software!

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