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 ...
Search found 3 matches
- Mon Feb 26, 2007 12:16 pm
- Forum: Bader
- Topic: Program stops after Edge refining
- Replies: 7
- Views: 103752
- Thu Feb 22, 2007 10:43 am
- Forum: Bader
- Topic: Program stops after Edge refining
- Replies: 7
- Views: 103752
- 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 ...
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 ...