Molecular Dynamics on Hadoop

Project Information

Discipline
Biochemistry (602) 
Subdiscipline
26.0616 Biotechnology Research 
Orientation
Research 
Abstract

Molecular Dynamics usually running on MPI or OpenMP, now we let it running on MapReduce. We think it's a good idea.

Intellectual Merit

write some simple programms of molecular dynamics that could utilize Hadoop cluster, just for the aim of research

Broader Impacts

broaden the application area of Hadoop. we know Hadoop is not expert in scientific computing application, but we can try our best to get better results.

Project Contact

Project Lead
Shanfei Jiao (webcluster) 
Project Manager
Shanfei Jiao (webcluster) 
Project Members
Jessica Jiang  

Resource Requirements

Hardware Systems
  • foxtrot (IBM iDataPlex at UF)
  • hotel (IBM iDataPlex at U Chicago)
  • india (IBM iDataPlex at IU)
  • xray (Cray XM5 at IU)
  • Not sure
 
Use of FutureGrid

After enough research about hadoop and molecular dynamics, We would implement molecular dynamics on Hadoop platform, then test the program and compare it with MPI. We think the work will get good result.

Scale of Use

a few VMs for an experiment

Project Timeline

Submitted
12/20/2011 - 09:26 
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