[Wien] Regarding band structure

[Gavin Abo]

> Your approach is correct. I do not see anything wrong. When I run "x 
> spaghetti", this is what I see
> SPAGH: Read band energy from case.output1
>   number of k-points read in case.vector=          51
> SPAGH END
> 0.043u 0.026s 0:00.07 85.7%	0+0k 0+0io 0pf+0w
> I am curious, why don't you have the 1st line? Is *.output1 in place? 
> Other than that: no idea. Sorry.
>
This may be a new line printed by Wien2k 13.1.  So likely an older 
version is being used.

>     On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam
>     <sikandar_hu at yahoo.com <mailto:sikandar_hu at yahoo.com>> wrote:
>
>         Hello all
>         I am facing the problem in plotting the band structure,
>         especially for big compounds like biological compounds.
>         I get this problem
>         Commandline: *x spaghetti -c*
>         Program input is: *""*
>
>           number of k-points read in case.vector=         251
>         forrtl: severe (174): SIGSEGV, segmentation fault occurred
>         0.279u 0.069s 0:00.51 64.7%	0+0k 0+0io 12pf+0w
>         error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed
>
>         please some one help me.
>         thanks in advance
>         with regards
>         sikander Azam
>
>

This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to apply 
the fix to the old verison or use 13.1.  If it doesn't solve the 
problem, the user could do more debugging, the Intel article at the 
following link might help:

http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130910/f7224d56/attachment.htm>