NAMD

Software Summary

Mesabi

Default Module: 

2.7-ompi

Other Modules Available: 

2.12-ibverbs-smp-CUDA, 2.12-multicore-CUDA, 2.10-ibverbs, 2.11-ibverbs, 2.12-ibverbs, 2.7-ompi, 2.8-ompi, 2.9-impi, 2.9-libverbs-CUDA, 2.9b1-libverbs, 2.9b3-ompi

Last Updated On: 

Wednesday, December 7, 2016

Itasca

Default Module: 

2.7-ompi

Other Modules Available: 

2.12-ibverbs-smp-CUDA, 2.12-multicore-CUDA, 2.10-ibverbs, 2.11-ibverbs, 2.12-ibverbs, 2.7-ompi, 2.8-ompi, 2.9-impi, 2.9-libverbs-CUDA, 2.9b1-libverbs, 2.9b3-ompi

Last Updated On: 

Wednesday, December 7, 2016

Lab

Default Module: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Wednesday, December 7, 2016

Support Level: 
Primary Support
Software Access Level: 
Open Access
Software Categories: 
Drug Discovery
Structural Biology
Molecular Modeling and Simulation
Software Description
Software Description: 

NAMD, recipient of a 2002 Gordon Bell Award, 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 processors on high-end parallel platforms. NAMD is best run on the high performance systems where it has been compiled with the latest Intel compilers and recent MPI parallel libraries. There are different compiled versions of NAMD, which use different parallelization methods.

Software Documentation

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