From jim at ks.uiuc.edu Mon Oct 2 12:57:52 2000 From: jim at ks.uiuc.edu (Jim Phillips) Date: Tue Nov 9 01:14:19 2010 Subject: [Beowulf-announce] NAMD 2.2 Release Announcement Message-ID: +--------------------------------------------------------------------+ | | | NAMD 2.2 Release Announcement | | | +--------------------------------------------------------------------+ September 29, 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 2.2 has several advantages over NAMD 2.1: - New ports to the IBM RS/6000 SP, Alpha Linux, and Windows. - 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. 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@ks.uiuc.edu. We are eager to hear from you, and thank you for using our software!