[Wien] Seg Fault during Bandstructure Calculation

[Aaron Sutton]

I have changed the case.insp file and put in the proper fermi energy.
I also tried using the files from a previous calculation that worked
properly on a different computer and I get the same error. I'm running
this on a Mac Pro with version 11.1 084 of the intel fortran compiler.

----------------------------------------------------------------------------
Aaron Sutton
Ph.D. Candidate | University of Toronto
Office: McLennan MP090 | Phone: +1 416 946 3639
Email: asutton at physics.utoronto.ca


On Thu, Apr 26, 2012 at 12:51, Georg Eickerling
<georg.eickerling at physik.uni-augsburg.de> wrote:
> 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
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien