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David Hoover Scientific Computing Branch, Division of Computer System Services CIT, NIH Swarms and Bundles: Bioinformatics and Biostatistics on Biowulf.

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Presentation on theme: "David Hoover Scientific Computing Branch, Division of Computer System Services CIT, NIH Swarms and Bundles: Bioinformatics and Biostatistics on Biowulf."— Presentation transcript:

1 David Hoover Scientific Computing Branch, Division of Computer System Services CIT, NIH Swarms and Bundles: Bioinformatics and Biostatistics on Biowulf

2 Embarrassingly Parallel Problems GWAS, with huge numbers of SNPs Sequence analysis, assembly, and mapping Testing and validating statistical models Protein folding and threading Molecular docking and compound screening Tomographic reconstruction

3 Tsai et al., Mol. Biochem. Parasitology, online preprint 2008 Protein folding calculations with Rosetta++ 100,000 cpu hours Characterization of Surface Protein 3 from Malaria Parasite P. Falciparum

4 How to run multiple independent processes in parallel 16 independent processes input command outputinputoutput command

5 Biowulf Cluster Batch System batch job1 job1.out script batch job16 job16.out script

6 Node 1Node 2Node 3Node 4 job1job2job3job4 job1.outjob2.outjob3.outjob4.out biowulf% swarm -f file Swarm

7 Node 1 job1 job1.out biowulf% swarm -f file -b 4 Bundled Swarm

8 Swarm Facts Written and maintained by Helix Systems Staff swarm introduced in late 2000 82% of all batch jobs run on the cluster since 2002 are swarm jobs ~60% of all wall time spent on swarm jobs swarm has been shared with clusters around the world

9 Swarm World Records Largest swarm: 683,445 commands Largest bundle: 24,000 commands per CPU

10 Future Challenges How to deal with larger multicore nodes? Node 1 Node 2Node 3


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