Category Archives: Uncategorized

Duke Physics MPI at RENCI Blueridge with Grayson and Pegasus 4.0

Overivew Duke Physics will be running MPI jobs on RENCI Blueridge. The model is new and expected to grow. It’s been built with cluster specific libraries so it’ll be executed at Blueridge for the foreseeable future. At the same time, … Continue reading

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NAMD with PBS and Infiniband on NERSC Dirac

Overview NAMD simulates molecular motion, especially of large molecules so it’s often used to simulate molecular docking problems. One particularly interesting class of docking problem is the interaction of protein molecules with other molecules such as the cell membrane. The … Continue reading

Posted in Engage VO, GPGPU, High Throughput Computing (HTC), High Throughput Parallel Computing (HTPC), multicore, NAMD, OSG, Uncategorized | Leave a comment

Virtual Machines for OSG

Overview The ability to run a virtual machine with a self-contained computing environment has major advantages. Users can Choose the operating system that’s best for the application Execute programs that require elevated privileges Install any software they need Dynamically configure … Continue reading

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Grayson – Workflow for the Hybrid Grid

Grayson I mentioned in a recent post about running NAMD on NERSC’s Dirac GPU cluster there would be a discussion of how we’re managing hierarchical workflows. To do that, we need to introduce Grayson. Grayson is a workflow design and execution environment … Continue reading

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CAMx on OSG with UNC Environmental Science and Engineering

Dr. William Vizuete’s team at the UNC department of Environmental Science and Engineering  evaluates and uses a number of air quality models which are, in turn used by regulatory agencies to understand air quality issues. From Dr. Vizuete’s research page: “Using … Continue reading

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Pegasus WMS and NERSC Dirac

The Engage VO’s recently begun working with Duke Chemistry on a protein folding simulation  that’s taking us to interesting places. In particular, deep inside the National Energy Research Scientific Center – NERSC and specifically, to their 50 node General Purpose … Continue reading

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Protected: Grayson – Science Workflow on the Hybrid Grid

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Posted in Compute Grids, condor, Engage VO, GPGPU, grid, High Throughput Computing (HTC), High Throughput Parallel Computing (HTPC), multicore, OSG, RENCI, Uncategorized | Tagged