[Wien] Seg Fault during Bandstructure Calculation

[Peter Blaha]

Please recompile with -O0  or with -C

Maybe another manifestation of a ifort compiler bug.

Am 26.04.2012 18:51, schrieb 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
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------