Conference
Using Reycled Computers to Construct a Beowulf Cluster for Molecular Modeling
| Τίτλος: | Using Reycled Computers to Construct a Beowulf Cluster for Molecular Modeling |
|---|---|
| Συγγραφείς: | Flemming, Creston |
| Έτος έκδοσης: | 2009 |
| Συλλογή: | Drake University: eScholarShare@Drake |
| Θεματικοί όροι: | Used computers, Molecular dynamics, Cluster analysis--Computer programs |
| Περιγραφή: | Advisor: Maria Bohorquez ; Timothy Urness ; 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. ; Drake University, College of Arts and Sciences, Department of Mathematics and Computer Science, Department of Chemistry |
| Τύπος εγγράφου: | conference object |
| Περιγραφή αρχείου: | application/pdf |
| Γλώσσα: | English |
| Relation: | DUCURS 2009;21; https://hdl.handle.net/2092/957 |
| Διαθεσιμότητα: | https://hdl.handle.net/2092/957 |
| Αριθμός Καταχώρησης: | edsbas.AA823B6 |
| Βάση Δεδομένων: | BASE |
καταχωρήστε σχόλιο πρώτοι!