From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Sun Mar 27 2011 - 12:25:13 CDT
Hi all,
NAMD 2.8b1 is now available for download. This beta release includes a
large number of new simulation features and more mature multicore and SMP
builds, which use shared-memory to reduce per-node memory usage and in
some cases increase performance. Details in addition to the list below
may be found at http://www.ks.uiuc.edu/Research/namd/2.8/features.html
We are hoping to ship a final 2.8 release in a few weeks, so please
download and test 2.8b1 soon to help catch any remaining issues. Thank
you as always for your support of NAMD development.
-Jim
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| NAMD 2.8b1 Release Announcement |
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March 25, 2011
The Theoretical and Computational 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 2.8b1 has many advantages over NAMD 2.7, among these are:
- Generalized Born implicit solvent model
- Accelerated molecular dynamics method
- MARTINI residue-based coarse-grain forcefield
- Non-uniform grids in grid forces
- Symmetry and domain restraints
- Collective variables module improvements
- Force output and trajectory files
- Shared-memory single-node and multiple-node builds
- Measurement-based grain-size adjustment in load balancer
- Experimental memory-optimized version with parallel I/O
- Microsoft Windows HPC Server port and released binaries
- Support for NBFIX parameters in CUDA builds
- Enhanced performance and scalability
Details at http://www.ks.uiuc.edu/Research/namd/2.8/features.html
NAMD is available from http://www.ks.uiuc.edu/Research/namd/
For your convenience, NAMD has been ported to and will be installed
on the machines at the NSF-sponsored national supercomputing centers.
If you are planning substantial simulation work of an academic nature
you should apply for these resources. Benchmarks for your proposal
are available at http://www.ks.uiuc.edu/Research/namd/performance.html
The Theoretical and Computational 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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