Using Reycled Computers to Construct a Beowulf Cluster for Molecular Modeling

DSpace/Manakin Repository

Show simple item record Flemming, Creston 2009-06-24T13:30:19Z 2009-06-24T13:30:19Z 2009-06-24T13:30:19Z
dc.description Advisor: Maria Bohorquez ; Timothy Urness en_US
dc.description.abstract The process of using recycled computers to construct a Beowulf cluster in order to simulate the molecular dynamics of a chemical system is explored. The cluster was assembled using used computers taken out of service due to upgrades, and would otherwise be discarded. When assembled in a cluster, the computer performed the numerically-intensive process of molecular modeling roughly four times faster than a current machine using synthetic benchmarks. The cluster was used to run a molecular modeling program NAMD. We used the cluster and NAMD to analyze an experiment to study a biologically active lipid called DOPC in the form of a monolayer. The monolayer was constructed using VMD (Visual Molecular Dynamics). It consists of DOPC molecules on the air/water interface. An energy minimization process is carried out before molecular dynamics can be calculated in order to render the system in its most probable physical state. en_US
dc.description.sponsorship Drake University, College of Arts and Sciences, Department of Mathematics and Computer Science, Department of Chemistry en_US
dc.language.iso en_US en_US
dc.relation.ispartofseries DUCURS 2009;21
dc.subject Used computers en_US
dc.subject Molecular dynamics en_US
dc.subject Cluster analysis--Computer programs en_US
dc.title Using Reycled Computers to Construct a Beowulf Cluster for Molecular Modeling en_US
dc.type Presentation en_US

Files in this item

This item appears in the following Collection(s)

  • DUCURS [196]
    Poster sessions and presentation from the Drake University Conference on Undergraduate Research in the Sciences held each April at Olmsted Center on the Drake campus.

Show simple item record

Search DSpace

Advanced Search


My Account