From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Nov 13 2009 - 17:03:52 CST
Hi all,
This release features CUDA acceleration of nonbonded forces (only) and a
more stable ibverbs layer that allows the use of InfiniBand without MPI.
Please see the detailed discussion CUDA limits and requirements in the
release notes at http://www.ks.uiuc.edu/Research/namd/2.7b2/notes.html
Issues and updates for this release will be reported at
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?Namd27b2Release
Thank you all for your continued support and patience.
-Jim
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| NAMD 2.7b2 Release Announcement |
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November 12, 2009
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 2.7b2 has many advantages over NAMD 2.6, among these are:
- Collective variable-based calculations
- Improved free energy methods for alchemical transformations
- Grid-based forces and molecular dynamics flexible fitting
- Additional bonded terms for restraining molecular structure
- Support for the TIP4 water model
- NVIDIA CUDA GPU acceleration of nonbonded force evaluation
- Direct (non-MPI) support for InfiniBand via OFED ibverbs library
- Enhanced performance and scalability
Details at http://www.ks.uiuc.edu/Research/namd/2.7/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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