NAMD Wiki: Namd28b3Release
Issues with the 2.8b3 release of NAMD.
Please see the release notes at http://www.ks.uiuc.edu/Research/namd/2.8b3/notes.html
For bugs fixed since the 2.8b2 release see Namd28b2Release and for all changes see http://www.ks.uiuc.edu/Research/namd/cvs2html/chronological.html
The experimental memory-optimized build option with parallel I/O is documented at NamdMemoryReduction.
On Lincoln at NCSA:
runs on GPU-accelerated Lincoln nodes. See the CUDA section of the release notes for details.
On the Ember Altix UV at NCSA:
On Ranger at TACC:
can use 1way, 2way, or 4way processes per node with 15, 7, or 3 compute threads per process, and is again progressively slower because more cores are used for communication.
On Lonestar at TACC:
On Kraken at NICS:
still uses MPI but the binary is built with g++ for better performance.
will use 11 compute threads per process.