<div dir="ltr">I'll be there. But the abstract deadline is already passed, correct?</div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Oct 6, 2015 at 6:17 AM, Rossen Apostolov <span dir="ltr"><<a href="mailto:rossen@kth.se" target="_blank">rossen@kth.se</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi everyone,<br>
<br>
MD news for those who will be at SC15 in Austin. This year year there<br>
will be also a workshop on molecular simulations with keynotes by Erik<br>
Lindahl (GROMACS) and Jim Phillips (NAMD). The discussions on MD<br>
development will be very interesting and highly recommended for those of<br>
you who could make it to the conference and send an abstract for<br>
participation.<br>
<br>
Below is the full announcement with more info.<br>
<br>
Cheers,<br>
Rossen<br>
<br>
<br>
<-- Abstract submission deadline extended to Friday October 9th (13:00<br>
CDT / 19:00 BST) --><br>
<br>
This year's SC15 International Conference for High Performance<br>
Computing, Networking,<br>
Storage and Analysis features the following Workshop:<br>
<br>
=====================================================================<br>
Producing High-Performance and Sustainable Software for Molecular<br>
Simulation<br>
<br>
November 20th, 2015<br>
Austin, Texas<br>
=====================================================================<br>
<br>
This workshop aims to bring together developers and users of molecular<br>
simulation<br>
software, experts in high-performance computing, and researchers of<br>
numerical methods<br>
and algorithms to discuss the challenge of creating and maintaining<br>
high-performance<br>
sustainable software for molecular simulation.<br>
<br>
Invited Speakers<br>
----------------------<br>
<br>
o Prof. Erik Lindahl (GROMACS)<br>
KTH Royal Institute of Technology and Stockholm University<br>
<br>
o James Phillips (Senior Research Programmer and NAMD Lead Developer)<br>
University of Illinois at Urbana-Champaign)<br>
<br>
<br>
Call for Abstracts<br>
-----------------------<br>
Abstracts are sought outlining proposed contributions (2-4 pages) to an<br>
open access<br>
workshop report / positional paper documenting state of the art<br>
developments, current<br>
bottlenecks, anticipated challenges, and priorities for future research<br>
and funding<br>
for molecular simulation software. Three of the accepted abstracts will<br>
be selected<br>
to give short talks at the workshop. The resulting joint paper will be<br>
made available<br>
online for free in an institutional repository in citable form with a<br>
unique and<br>
persistent location identifier.<br>
<br>
The deadline for abstract submission is Friday October 9th (13:00 CDT /<br>
19:00 BST)<br>
<br>
Authors will be notified Wednesday October 14th to allow SC15 early<br>
registration fee<br>
to be obtained by registering on or before October 15th.<br>
<br>
Abstracts can be submitted at<br>
<a href="https://easychair.org/conferences/?conf=sc15molsimsoftware" rel="noreferrer" target="_blank">https://easychair.org/conferences/?conf=sc15molsimsoftware</a><br>
<br>
We are especially seeking the following kinds of contributions:<br>
<br>
o Hot topics: recent work with (potential for) high impact on<br>
performance and / or<br>
sustainability of molecular simulation software (e.g. algorithms,<br>
forcefield models,<br>
parallelisation schemes and use of programming models, software<br>
development practices,<br>
exploiting new hardware).<br>
<br>
o Case studies: perspectives on achieving performance and / or<br>
sustainability based<br>
on experience in particular application areas, software development<br>
initiatives,<br>
etc. (e.g. interplay between optimisation and portability, analysis of<br>
goals and<br>
challenges, routes and barriers to success - technical, funding).<br>
<br>
Suggested Topics:<br>
<br>
Accelerators and heterogenous computing<br>
Algorithms<br>
Benchmarking and performance comparisons<br>
Computational models<br>
Data formats and interoperability of packages<br>
Libraries and APIs<br>
Numerical methods<br>
Parallelisation strategies and load balancing<br>
Portability<br>
Software development practices and collaborative models<br>
Testing<br>
Workflows<br>
<br>
More Information<br>
-----------------------<br>
<a href="http://www.apes-soft.org/sc15" rel="noreferrer" target="_blank">http://www.apes-soft.org/sc15</a><br>
<a href="http://sc15.supercomputing.org/schedule/event_detail?evid=wksp144" rel="noreferrer" target="_blank">http://sc15.supercomputing.org/schedule/event_detail?evid=wksp144</a><br>
<br>
Questions about submissions: sc15molsimsoftware (at) <a href="http://easychair.org" rel="noreferrer" target="_blank">easychair.org</a><br>
Any other questions about the workshop: aproeme (at) epcc (dot) <a href="http://ed.ac.uk" rel="noreferrer" target="_blank">ed.ac.uk</a><br>
=======================<br>
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature">ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov" target="_blank">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309</div>
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