From owner-chemistry@ccl.net Mon Oct 5 11:22:01 2015 From: "Arno Proeme aproeme]~[epcc.ed.ac.uk" To: CCL Subject: CCL: SC15 Workshop on Molecular Simulation Software - **deadline extended** Message-Id: <-51803-151005105800-14731-WH7R7wORUPmkBJjRCnu+ew() server.ccl.net> X-Original-From: "Arno Proeme" Date: Mon, 5 Oct 2015 10:57:58 -0400 Sent to CCL by: "Arno Proeme" [aproeme[-]epcc.ed.ac.uk] <-- Abstract submission deadline extended to Friday October 9th (13:00 CDT / 19:00 BST) --> This year's SC15 International Conference for High Performance Computing, Networking, Storage and Analysis features the following Workshop: ================================================================= Producing High-Performance and Sustainable Software for Molecular Simulation November 20th, 2015 Austin, Texas ================================================================= This workshop aims to bring together developers and users of molecular simulation software, experts in high-performance computing, and researchers of numerical methods and algorithms to discuss the challenge of creating and maintaining high- performance sustainable software for molecular simulation. Invited Speakers --------------- o Prof. Erik Lindahl (GROMACS) KTH Royal Institute of Technology and Stockholm University o James Phillips (Senior Research Programmer and NAMD Lead Developer) University of Illinois at Urbana-Champaign) Call for Abstracts ---------------- Abstracts are sought outlining proposed contributions (2-4 pages) to an open access workshop report / positional paper documenting state of the art developments, current bottlenecks, anticipated challenges, and priorities for future research and funding for molecular simulation software. Three of the accepted abstracts will be selected to give short talks at the workshop. The resulting joint paper will be made available online for free in an institutional repository in citable form with a unique and persistent location identifier. We are especially seeking the following kinds of contributions: o Hot topics: recent work with (potential for) high impact on performance and / or sustainability of molecular simulation software (e.g. algorithms, forcefield models, parallelisation schemes and use of programming models, software development practices, exploiting new hardware). o Case studies: perspectives on achieving performance and / or sustainability based on experience in particular application areas, software development initiatives, etc. (e.g. interplay between optimisation and portability, analysis of goals and challenges, routes and barriers to success - technical, funding). The deadline for abstract submission is Friday October 9th (13:00 CDT / 19:00 BST) Abstracts can be submitted at https://easychair.org/conferences/?conf=sc15molsimsoftware Authors will be notified Wednesday October 14th to allow SC15 early registration fee to be obtained by registering on or before October 15th at http://sc15.supercomputing.org/register Suggested Topics: Accelerators and heterogenous computing Algorithms Benchmarking and performance comparisons Computational models Data formats and interoperability of packages Libraries and APIs Numerical methods Parallelisation strategies and load balancing Portability Software development practices and collaborative models Testing Workflows More Information ---------------- http://www.apes-soft.org/sc15 http://sc15.supercomputing.org/schedule/event_detail?evid=wksp144 Questions about submissions: sc15molsimsoftware (at) easychair.org Any other questions about the workshop: aproeme (at) epcc (dot) ed.ac.uk