/tag/amber
GPU-enabled Software and UVA HPC
Please note that certain modules can only run on specific GPU types. This will be displayed in a message upon loading the module.
Certain software applications may also able to take advantage of the advanced capabilities provided by the NVIDIA DGX BasePOD™.
Learn More Module Category Description alphafold bio gpu Open source code for AlphaFold amber chem gpu Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction. cellpose bio gpu a generalist algorithm for cellular segmentation clara-parabricks bio gpu NVIDIA Parabricks is the only GPU-accelerated computational genomics toolkit that delivers fast and accurate analysis for sequencing centers, clinical teams, genomics researchers, and next-generation sequencing instrument developers.
Amber and UVA HPC
Description Amber (originally Assisted Model Building with Energy Refinement) is software for performing
molecular dynamics and structure prediction.
Software Category: chem
For detailed information, visit the Amber website
Local support is not available.
Available Versions To find the available versions and learn how to load them, run:
module spider amber The output of the command shows the available Amber module versions.
For detailed information about a particular Amber module, including how to load the module, run the module spider command with the module’s full version label. For example:
module spider amber/24-CUDA-12.2.2 ModuleVersion Module Load Command amber24-CUDA-12.2.2 module load gcc/11.4.0 openmpi/4.1.4 amber/24-CUDA-12.
