Search found 3 matches

by Tamidor
Mon Feb 26, 2007 12:16 pm
Forum: Bader
Topic: Program stops after Edge refining
Replies: 7
Views: 103752

Thank you for your answers.
I also tried the example CHGCAR from your site and the program again crashed.

I compiled it using the Makefile.pgf and I also tried the Makefile.pgf_32.
It is than compiled with pgf90 -O3 -fast -c
I don´t know the exact version of the portland compiler on our machine ...
by Tamidor
Thu Feb 22, 2007 10:43 am
Forum: Bader
Topic: Program stops after Edge refining
Replies: 7
Views: 103752

I tried compilinge the src, which seemed to work.
But using this bader file, I get a segmentation fault error when trying to run it on a MgO CHGCAR.
by Tamidor
Thu Feb 22, 2007 10:18 am
Forum: Bader
Topic: Program stops after Edge refining
Replies: 7
Views: 103752

Program stops after Edge refining

hello,
I just downloaded the bader analysis program from:
http://theory.cm.utexas.edu/henkelman/research/bader/index.php

the bader_lnx.tar file.

When I run it for vasp CHGCAR output with "bader CHGCAR"
the program does the Edge refining iterations but just seems to stop when no more edge points ...