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Multicore support in VLifeMDS- Faster and Efficient molecular modeling

by V Ganesh on January 24th, 2012

In the last post on scripting I added a note on parallellization. As the processor technology is moving towards wide scale adaption of typically more than one core on a single desktop machine, it is important for us to be able to use this extra processing power. Towards this end, we have rewritten many of our compute intensive algorithms to take advantage of multi-core processors when available. Along with this we have also done a number of optimization on our existing algorithms for faster performance. The end game is that now you as a researcher, benefits from faster algorithms, resulting in less wait time, and better research productivity.

You would also be interested to know that we have worked closely with Intel  recently to optimize our codes specifically for the Intel’s second generation Core architecture, also code named as Sandybridge.

To know more about the technical details of the work done (which are now shipping with VLifeMDS 4.1), I would like you to redirect to the white paper available here [1,2].

Enjoy a faster new year with VLifeMDS :)

[1] Optimizing VLife* Molecular Design Suite Using Intel® Parallel Studio XE, Available from here



V Ganesh

I am software architect at VLife Sciences. I enjoy working with interfacing of science and technology. To know more about me drop in @ my personal blog:

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