software:namd2

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NAMD

http://www.ks.uiuc.edu/Research/namd/

NAMD
Version:2.9
Release:April 2012
Lizenz:University of Illinois license
Developer:Theoretical and Computational Biophysics Group (TCB) and the Parallel Programming Laboratory (PPL)
http://www.ks.uiuc.edu/Research/namd/

NAMD (Not (just) Another Molecular Dynamics program) is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of cores for typical simulations and beyond 200,000 cores for the largest simulations.

Version Compiler MPI FFT Library Path
2.9 GCC 4.7.0 intelmpi 4.0.3.008 /cluster/Apps/NAMD/gcc_4.7.0/impi_4.0.3.008/
OpenMPI 1.6.1 /cluster/Apps/NAMD/gcc_4.7.0/openmpi_1.6.1/
Intel Composer 2011 SP1 10.319 intelmpi 4.0.3.008 FFTW_3.3.3 /cluster/Apps/NAMD/intel-studio-2011-sp1-10/impi_4.0.3.008/
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  • Last modified: 2013/02/14 11:33
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