alfpark/namd

By alfpark

Updated about 8 years ago

NAMD Scalable Molecular Dynamics Package

Image
2

838

  • Images available:
    • 2.11-icc-mkl-intelmpi contains an optimized NAMD image compatible with Azure Infiniband/RDMA instances
    • 2.11-cuda NAMD for use on a single node with CUDA
    • 2.11-tcp NAMD for use across multiple nodes with TCP

These images are compatible with the Azure Batch Shipyard system. You must agree to the NAMD license before using this image, which you can read here: http://www.ks.uiuc.edu/Research/namd/license.html.

More info:

Docker Pull Command

docker pull alfpark/namd