On Mar 14, 2008, at 10:04 AM, Mischa Megens wrote: > I am having trouble with mpbi (mpb-1.4.2 with inversion symmetry > enabled). The layout of its epsilon.h5 output is funny. > If I run mpb or mpbi on the example tri-rods.ctl file, it gives > different results for epsilon.h5. > Mpb gives the familiar oval, but with mpbi the oval is finely sliced > up and the picture doesn't look right. >
I can't reproduce; the mpb and mpbi epsilon.h5 files look identical on my machine for tri-rods.ctl ... I'm using gcc 4.1.2 and HDF5 1.6.5 Are you sure you're using the unmodified tri-rods.ctl file? You could also try compiling with --enable-debug to see if there is some compiler bug that is hitting you. I'm not sure what else it could be. What version of HDF5 are you using? They made some backward- incompatible changes in version 1.8, perhaps that could be a problem. Steven _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
