[Wien] Seg Fault during Bandstructure Calculation

[Georg Eickerling]

Dear WIEN users,

I am joining this thread as I have exacly the same problem right now.

Everything with the case works fine, SCF, DOS, densities etc. the only
failure is (im using the command line):

after successfully running lapw1 -band (and lapw2 -qtl -band optionally):

# x spaghetti

Segmentation fault
0.056u 0.028s 0:00.08 87.5%	0+0k 0+8io 0pf+0w
error: command   /usr/users/eickerling/prog/wien2k11/spaghetti
spaghetti.def   failed

When I copy the exact same case-files to another machine spaghetti works
without problems, so I can exclude a input-error.

I can reproduce the problem with both versions, wien2k10 and wien2k11
and in both cases spaghetti compiled without errors.


regards

Georg Eickerling





On 26.04.2012 17:04, Aaron Sutton wrote:
> Hi,
> Posted about this a few days ago but got no response. I'm having an
> issue running spaghetti. When executing x spaghetti from w2web, I
> immediately receive the following:
> 
> Commandline: x spaghetti
> Program input is: ""
> 
> Segmentation fault
> 0.072u 0.035s 0:00.43 23.2%	0+0k 0+4io 84pf+0w
> error: command   /Applications/WIEN2K/spaghetti spaghetti.def   failed
> 
> No errors are given when running lawp1 -band from w2web or the command
> line. The k-mesh was created using XCrysDen. Any input into this issue
> would be greatly appreciated as I've made no progress on it in days.
> 
> Thanks.
> ----------------------------------------------------------------------------
> Aaron Sutton
> Ph.D. Candidate | University of Toronto
> Office: McLennan MP090 | Phone: +1 416 946 3639
> Email: asutton at physics.utoronto.ca
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