MPB runtime vs. number of k-vectors?
[email protected] Fri, 28 Sep 2012 17:25:39 +0200
| Newsgroups | gmane.comp.science.photonic-bands |
|---|---|
| Message-ID | <OF65987FC3.BB42480E-ONC1257A87.005338CF-C1257A87.0054BEF3@ise.fhg.de> |
Hi MPB community, by chance I noticed that the runtime of MPB is not linear with the number of k-vectors to compute. So I did a small runtime study for different numbers of k-vectors. I used the 1D bragg example for that, specifying the number of k-vectors by changing the numberofkvectors in the command "(interpolate numberofkvectors k-points)". I plotted numberofkvectors vs. the runtime (from the "total elapsed time for run" at the end of the out-file) and it can be nicely fit with a quadratic function: numberofkvectors, runtime [seconds] 5000, 1 10000, 4 20000, 13 50000, 73 100000, 279 200000, 1140 500000, 7297 I would have expected a linear O(n) dependency assuming that each k-point needs approximately the same effort to compute its solution. Given a non-linear runtime, it would make sense to split simulations into several runs with less k-vectors in each simulation... Am I missing something? Or is this just a special case with that setup? Thanks in advance! Johannes _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss