[Wien] Seg Fault during Bandstructure Calculation

[Gavin Abo]

I think you can ignore the two warnings below in the shortened 
compile.msg file for spaghetti that you sent me off the list.

I notice one thing that seems to be strange. It shows that you have "-c" 
for a compile option, which prevents linking. Try changing it to the 
upper case "-C" for runtime error checking.

On 4/26/2012 2:08 PM, Aaron Sutton wrote:
I recompiled with the -g debug option you mentioned and still got the 
exact same error. No
additional information is presented. Here is the output of the
compiling process, showing no major errors and only two warnings which
I believe can safely be ignored.

➜ SRC_spaghetti make
ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O1 -traceback
-g -c reallocate.f
...
ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O1 -traceback
-g -c wrtdate.f
ifort -o ./spaghetti reallocate.o modules.o bndind.o bz_lin.o cartco.o
clipin.o comprel.o con_ev.o defins.o drawt.o get_ei.o get_k.o
inview.o movet.o pgrpnr.o pointi.o psend.o psinit.o spag.o seppt.o
transt.o writln.o writs.o writz.o wrtdate.o -FR -mp1 -w -prec_div
-pc80 -pad -ip -DINTEL_VML -O1 -traceback -g
-L/opt/intel/Compiler/11.1/084/Frameworks/mkl/lib/em64t -pthread
ipo: warning #11015: Warning unknown option -no_compact_unwind
ld: warning: -macosx_version_min not specificed, assuming 10.7

On 4/26/2012 2:39 PM, Aaron Sutton wrote:
> Hi,
> So I recompiled spaghetti with -O0 and -C, both still result in the
> same error as previously mentioned. The only change was using -O0 I
> did not receive the "ipo: warning #11015: Warning unknown option
> -no_compact_unwind" warning. I did still receive it using -C. Should I
> recompile all of the programs or is it sufficient to just recompile
> spaghetti?
>
> ----------------------------------------------------------------------------
> 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 15:27, Peter Blaha<pblaha at theochem.tuwien.ac.at>  wrote:
>> 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
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>> --
>> -----------------------------------------
>> 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
>> -----------------------------------------
>>
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>> Wien mailing list
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