I apologize I didn't have a chance to reply to your personal message earlier, but it's better to reply on the list.
> Could anyone tell me if Avogadro supports GPU acceleration for force field > calculations? If so, is it strictly OpenCL-based, and what graphics cards > would you recommend? At the moment, no. It doesn't even use OpenMP (for use of multiple processors) by default. Don't despair. For one, the underlying Open Babel library, which handles force field minimization has a pile of performance improvements which will be incorporated into Avogadro 1.1. There's also a student working on parallelization / OpenCL and general algorithmic improvements this summer. I know there are many improvements coming. > Also, I’m wondering about the feature list and timing for 2.0 – I know there > is 2.0 info on the web site somewhere, but I can’t find it! I don't think we've discussed 2.0 at all yet. Version 1.1/1.2 will be released RealSoonNow. If you'd like to test a "beta" Windows build, you can find one here: http://avogadro.openmolecules.net/pettt/Avogadro-1.1.0-pettt.zip Marcus promised a 2.0 discussion once v1.1.0 was released. Hope that helps, -Geoff ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
