The command I used was:
./bader CHGCAR -ref CHGCAR_sum
Your guess seems to be correct. I moved the job to a machine with more memory (8 Gigs instead of 4) and that solved the problem.
Search found 2 matches
- Sat Sep 05, 2009 9:04 pm
- Forum: Bader
- Topic: segmentation fault
- Replies: 2
- Views: 9643
- Wed Sep 02, 2009 10:27 pm
- Forum: Bader
- Topic: segmentation fault
- Replies: 2
- Views: 9643
segmentation fault
Hello,
I am using the bader code for a zeolite type of material containing 408 atoms and a non-orthogonal (bcc primitive) unit cell. I am using VASP with PAW and am trying to test the convergence of the bader charges with respect to NGXF,Y,Z. In running bader for a 480x480x480 mesh, I run into a ...
I am using the bader code for a zeolite type of material containing 408 atoms and a non-orthogonal (bcc primitive) unit cell. I am using VASP with PAW and am trying to test the convergence of the bader charges with respect to NGXF,Y,Z. In running bader for a 480x480x480 mesh, I run into a ...