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Faraday Discussions 169: Molecular simulations and visualization

May 7-9, 2014
Nottingham, UK

Molecular simulations and visualization represent formidable communication and learning tools that could significantly speed up understanding of complex biomolecular systems. Interactive and immersive scientific computing includes aspects from the natural sciences, such as biology, chemistry and material sciences, and from the computational sciences, such as HPC architectures, graphical rendering, human-computer interaction, virtual reality and game design. We want to gather experts in these disciplines to stimulate discussions and initiate research aimed at deeper involvement, going beyond the boundaries of each discipline.

This meeting aims to illustrate and discuss the potential of human computer interaction and virtual reality for computational molecular sciences (biology, chemistry, materials science).

Themes
virtual and augmented reality; immersive molecular simulations
advanced visualization and visual analytics
computing power revolution and new algorithms: GP-GPUs, clouds and more
applications and serious games: from docking to protein folding

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Free GPU computing nodes at hgpu.org

Registered users can now run their OpenCL application at hgpu.org. We provide 1 minute of computer time per each run on two nodes with two AMD and one nVidia graphics processing units, correspondingly. There are no restrictions on the number of starts.

The platforms are

Node 1
  • GPU device 0: AMD/ATI Radeon HD 5870 2GB, 850MHz
  • GPU device 1: AMD/ATI Radeon HD 6970 2GB, 880MHz
  • CPU: AMD Phenom II X6 @ 2.8GHz 1055T
  • RAM: 12GB
  • OS: OpenSUSE 13.1
  • SDK: AMD APP SDK 2.9
Node 2
  • GPU device 0: AMD/ATI Radeon HD 7970 3GB, 1000MHz
  • GPU device 1: nVidia GeForce GTX 560 Ti 2GB, 822MHz
  • CPU: Intel Core i7-2600 @ 3.4GHz
  • RAM: 16GB
  • OS: OpenSUSE 12.2
  • SDK: nVidia CUDA Toolkit 6.0.1, AMD APP SDK 2.9

Completed OpenCL project should be uploaded via User dashboard (see instructions and example there), compilation and execution terminal output logs will be provided to the user.

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