Mike, thanks for the example, and for the rather perverse application of FiPy!
I'll fiddle with this and see what I get. - Jon On Mar 25, 2016, at 7:16 PM, Michael Waters <[email protected]> wrote: > Hello, > > I still have a large memory leak when using Trilinos. I am not sure where to > start looking so I made an example code that produces my problem in hopes > that someone can help me. > > But! my example is cool. I implemented Density Functional Theory in FiPy! > > My code is slow, but runs in parallel and is simple (relative to most DFT > codes). The example I have attached is just a lithium and hydrogen atom. The > electrostatic boundary conditions are goofy but work well enough for > demonstration purposes. If you set use_trilinos to True, the code will slowly > use more memory. If not, it will try to use Pysparse. > > Thanks, > -Michael Waters > <input.xyz><fipy-dft.py>_______________________________________________ > fipy mailing list > [email protected] > http://www.ctcms.nist.gov/fipy > [ NIST internal ONLY: https://email.nist.gov/mailman/listinfo/fipy ] _______________________________________________ fipy mailing list [email protected] http://www.ctcms.nist.gov/fipy [ NIST internal ONLY: https://email.nist.gov/mailman/listinfo/fipy ]
