Category Archives: Continuous Integration (CI)

On the Open Science Grid Trail

The open science grid is a distributed heterogeneous network of computing clusters. Its infrastructure and protocols allow members to submit high throughput compute jobs for remote execution. All use is authenticated and authorized via a PKI infrastructure which associates jobs … Continue reading

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High Throughput Parallel Molecular Dynamics on OSG

The Goal RENCI’s working with researchers interested in running high throughput parallel molecular dynamics simulations on OSG. Amber9 PMEMD The program we’d like to execute is called PMEMD (Particle Mesh Ewald Molecular Dynamics). PMEMD is a high-performance, parallel component of … Continue reading

Posted in Amber9, Compute Grids, condor, Continuous Integration (CI), Engage VO, grid, High Throughput Computing (HTC), High Throughput Parallel Computing (HTPC), multicore, OSG, pmemd, RENCI | Leave a comment

Continuous Integration Stack

This post has moved to the new continuous integration blog.

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PMEMD on Blueridge

Baby steps. This is pmemd compiled against native MPI libraries executing on the RENCI Blueridge cluster. The job submission workflow uses the RENCI-CI script library. The job_run script uses Globus tools to transfer the pmemd application and input files to Blueridge. … Continue reading

Posted in Amber9, Compute Grids, Continuous Integration (CI), Engage VO, Globus, grid, High Throughput Computing (HTC), High Throughput Parallel Computing (HTPC), multicore, OSG, pmemd, RENCI | Leave a comment