Computing Hydrogen Ion Survival Probability: Academy Student, Graduate Student, and Faculty Experiences

Monismith, David; Zhang, Yixiao (Icy); Shaw, John; Chakraborty, Himadri

Computing Hydrogen Ion Survival Probability: Academy Student, Graduate Student, and Faculty Experiences

dc.contributor.author	Monismith, David
dc.contributor.author	Zhang, Yixiao (Icy)
dc.contributor.author	Shaw, John
dc.contributor.author	Chakraborty, Himadri
dc.date.accessioned	2015-10-23T15:54:29Z
dc.date.available	2015-10-23T15:54:29Z
dc.date.issued	2015-09-23
dc.description	Biography: Dr. David Monismith is an independent researcher in the Oklahoma City Area. He was an Assistant Professor at Northwest Missouri State University from 2012 to 2015 where he served as XSEDE Campus Champion, Graduate Directed Projects Coordinator, and PI on two US Army Subcontracts. He is currently working as a Co-PI with Drs. John Shaw and Himadri Chakraborty on an XSEDE Allocation entitled "Computational Simulations of Electronic Motions and Excitations in Nanostructured Surfaces by Ion-Surface and Adsorbate-Surface Charge-Transfer Interactions". While working on this project, Dr. Monismith wrote code that generates scripts to perform parameter sweeps on the Texas Advanced Computing Center (TACC) Stampede Supercomputer using the TACC Launcher. He also worked with Yixiao (Icy) Zhang, a Northwest Academy student, to help her parallelize the code using OpenMP. Dr. Monismith later updated the code to make use of Xeon Phi Accelerators, and worked with a graduate student team to develop tools to save results to a database and generate graphs from those results. Dr. Monismith is currently performing reviews, parallelization, and optimization on the code for this project. Additionally, Dr. Monismith is performing pro bono work on the Scholar-Link project with the Community Foundation of Northwest Missouri. Scholar-Link has been a graduate directed project at NWMSU since 2012. It enables students in Northwest Missouri to easily access and apply for hundreds of scholarships offered through the Community Foundation using a single scholarship application.	en_US
dc.description.abstract	This presentation covers the experiences of a Missouri Academy student, a Graduate Directed Project team, and Computer Science and Physics Faculty at Northwest Missouri State University in data management, computational science and physics while simulating firing a Hydrogen Ion at a metal surface. Faculty involved in the project, Drs. Chakraborty, Monismith, and Shaw, were awarded XSEDE startup and XRAC allocations to perform over 20,000 2D simulations of firing a hydrogen ion at various metallic surfaces at a scale of hundreths of atomic units. Simulations in this project allowed for variations in the trajectory model used, distance of closest approach, normal velocity, parallel velocity, height of the potentials, width of each potential, and distance between adjacent steps. Academy student experiences included learning about directive based parallelism and updating a Fortran IV/77 code to Fortran 90 and to include OpenMP parallelism. Graduate students involved in a graduate directed project developed two codes as part of a data management plan for the project. The first was to upload simulation results from the TACC Stampede supercomputer to a server at Northwest Missouri State University to retain results in a MySQL database. The second was to retrieve data from this MySQL database and present it in a graphical format using a Java Swing GUI tool that produced graphical reports using the JasperReports API. Faculty have performed significant optimizations to the code to allow for single parameter set executions that make use of all compute resources on a Stampede node - asynchronous OpenMP/Xeon Phi OpenMP with 16 and 240 cores, respectively. So far results in this project have been produced for two metals and Drs. Chakraborty and Shaw have over 30 graphs on which they are performing analysis. Dr. Monismith is currently performing optimizations on a 3D version of this code on PSC Greenfield.	en_US
dc.description.peerreview	No	en_US
dc.description.sponsorship	The University of Oklahoma The University of Oklahoma Supercomputing Center for Education & Research (OSCER) The University of Oklahoma Department of Information Technology 2015 Oklahoma Supercomputing Symposium	en_US
dc.identifier.uri	http://hdl.handle.net/11244/20769
dc.language	en_US	en_US
dc.relation.ispartofseries	2015 Oklahoma Supercomputing Symposium;
dc.subject	Computer Science.	en_US
dc.subject	Physics, Atmospheric Science.	en_US
dc.title	Computing Hydrogen Ion Survival Probability: Academy Student, Graduate Student, and Faculty Experiences	en_US
dc.type	Presentation	en_US
ou.group	Oklahoma Supercomputing::Oklahoma Supercomputing Symposium::2015	en_US