Everyone,
We were very fortunate this week to have to have Matt Gerring
and Mark Basham from the Diamond Light Source visit ORNL for a couple
of days to talk about synergistic development activities in Eclipse
DAWNSci and Eclipse ICE, our respective projects. It was a great meeting
and I think we really figured out a great path forward for jointly reusing our code. The meeting notes are below and we would appreciate your
candid feedback and comments.
Both Eclipse ICE and Eclipse DAWNSci are still in the Initial Contribution (IC) phase.
I should add that the molecule viewer mentioned in the notes below is something that we have proposed as part of the Facebook Open Academy initiative that Andrew sent out.
We are thinking about organizing another face-to-face meeting in early winter, after fall courses are finished and depending on everyone's availability. It might also be worth our time to consider establishing a monthly Google Hangout.
For what it is worth (quite a bit to me in fact), I have shared this information with management at ORNL and my program managers in the US Department of Energy and they are all very excited.
Best,
Jay Jay, Jordan, Matt and Mark
Actions
1. Leverage VisIt plugins from ICE in DawnSci. This requires the ICE initial contribution to be finished.
ICE - Show DAWNSci which bundles to get.
DAWNSci - Install VisIt on DAWNSci machines.
DAWNSci - Add VisIt-capable ICE plugins to Sci.
2. Leverage DAWNSci data structures in ICE to enable plotting and analysis interoperability.
DAWNSci - Requires minor updates and refactoring, including changed/updated package names.
ICE - Start using DAWNSci data structures in NiCE for plotting CSV scattering data, etc.
3. Incorporate data mining and clustering work into DAWNSci maths plugins.
ICE - Contribute k-means to DAWNSci maths plugins.
ICE - Add additional data mining routines.
4. Run DFT calculations from DAWN.
DAWNSci - Leverage model builders and launchers from ICE to work with DFT codes.
ICE - Continue to add support for materials codes, including LAMMPS. Add job queue support for PBS.
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Future/possible development:
1. Develop a molecule viewer in ICE and identify necessary work to enable traces in DAWNSci.
2. Leverage more Eclipse PTP in ICE.
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Some technical things for the ICE development team to investigate after meeting with Matt and Mark:
1. HDF5 - Convert format to employ hyperslabs.
2. Start using the Eclipse Outline View supports thumbnail navigation (may be useful in Reactor Analyzer).
3. Look into JEXL for _expression_ parsing.
4. Test out the JavaFX scene builder.
5. Look into error bands in reactor data plots.--
Jay Jay Billings
Oak Ridge National Laboratory
Twitter Handle: @jayjaybillings
