Interactive All-Atom Molecular Visualization - Analyzing Large Biomolecular Systems with GPUs and Arm
VMD (Visual Molecular Dynamics) is a flexible tool for the preparation, analysis and visualization of simulations at the molecular level. The ultimate goal of this tool is to act as a computational microscope, allowing scientists to study the molecular machines of living cells. With over 100,000 uniquely registered users - with 16,000 of those funded by the National Institute of Health (NIH) - VMD is a staple in computational life science research, ranging from the molecular to the cell-scale level.
As many scientific codes, VMD bases its success on its interoperability with other codes, openness to custom extensions and availability on a broad range of computational platforms, from tablet to the largest supercomputer.
What we are showing in this demo is VMD on the latest GPU-accelerated platform, and Arm-based GPU accelerated server node. The code runs on an HP Apollo node with a 64-bit Arm processor and 2x V100 NVIDIA GPUs.
This demo shows the availability of an important application on the latest GPU accelerated platform with Arm-64 GPU, including a broad range of tools including OptiX ray-tracing library, OpenGL rasterization and NVEnc video compression.