We are pleased to announce the release of Schrödinger Suite 2009. Click here for an overview of the significant enhancements and updates to existing products. To download the new release, please visit the Download Center.
- Adam Kraut
The Parallel Programming & Cluster Computing workshop focuses on techniques and tools for parallel computing. Much of this workshop concentrates on distributed parallelism (MPI); in addition, shared memory parallelism (OpenMP), instruction level parallelism, Graphics Processing Unit parallelism and hybrid shared/distributed parallelism are also explored. Participants will learn about developing, debugging, profiling and tuning of parallel applications across a variety of architectures, using tools from a variety of sources, including GNU, Intel, TotalView, and the Bootable Cluster CD. The material is designed for undergraduate faculty from a variety of disciplines who would like to add parallel computing to their undergraduate teaching and research. In addition, undergraduate and graduate students are encouraged to attend alongside a sponsoring faculty member. The workshop is hands-on, with exercises in both programming and curriculum development.
- Adam Kraut
using NX on my headless Nehalem box; WOW this beats the crap out of X11 forwarding
AutoDock Vina is a new program for molecular docking and virtual screening, offering multi-core capability, high performance and enhanced ease of use.
- Adam Kraut